A0A3Q0KUC8_SCHMA Loading...

Putative suppressor of cytokine signaling

AlphaFold DB , UniProt , Accession A0A3Q0KUC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 940 aa.

						>A0A3Q0KUC8_SCHMA|A0A3Q0KUC8
MTSVIQPSTQSSSLLSLSFEPHAPNKTVLSLLSPQQIHRSKYTRHVINCNHLCYKSSADGNLLDNMTHPHVVSHHLSCKPEATPTNIPKALLLSPPLPIRRRPGDSLTSHRYSKGPTNRSLSSDHCERNHSTLNDEYYQTKTSFQSLNSTTNKLIKSQSPPTKLKKSSHFTLLTKTNEFDSDDLLCTENDTNHHHQHHHHHVINQLNKEEFSRLPVGFRWNYIFVKLSNWFQRIHTINYSRTSSDHVSSSIPIQHNKSDSISNSYRYQIRKYEPTRSRSQPAEKFGKIKSNLHNNDQFFGDSKTKVQLSSEINKSNRNMSSSDFQYINNSKKGNSSFSSSSLISNEKPVENLLDYYHTTQSPIVYNNNSSTTKCTNNNSCSCSIMSFNDLTYTSSKYNDIDCFCTQSCPINSHQLNELNLDNQISLKSCVSDCCCCFCQRYLNYCDHNRLVPFSSNNQYEQDDQIVQSSHYHGLKQQYYYHYYSCQHHHHHHYYHHHHHHHRRQQHHHHLSHDFNQCHIKFTTNQHTTNTHCTNYPIQNKAVRNFHLNLENQYATIGQLDQMRSDCKKISPSNNKKLDCSSPVITLQCLNLTEKQSNRLDDNIVNVTSVNNNDNSIDNEHSMNTRNISSLFIDYHQPHNETLVQNHEHEVVEHMNEGDNVVKCINSEITFSNLANDKSSEEKVQSMNISKTDTTIDTFAHQKFVTDLILLKRIGWYWGPLTVEEAELLLKNCSDGTFLVRDSSHDSYILSVSFRSGGQIYHTRIEHLAGKFSLALLNDLNNNVSSSVAECIERVMVDSFQDRMHFLPTLDDSSPSININTNVQFINNDQHQSDQHRQLQQFNNNNNNNNTSQPFESTRRSTSTTHIKASLIHPLSRFLIVPSLVHLCRFELLIHVRHDHIDLLPLPSNILRYLKESQYYAEFIPAYLELLTNMNSSNDKV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	33.5	Very low	222 Å²	222	134.5 Å²	134.5	100%	1.094	77%	0.768	S	S	*	*				0	76.4	0	-55.6	-50.2	-179.1	0	0	108
2	T	32.3	Very low	33.2	Very low	123 Å²	123	132.6 Å²	132.6	76%	0.755	77%	0.77	S	S	*	*				66.4	126	77.5	62.2	0	0	0	0	113.1
3	S	34.1	Very low	33.3	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	77%	0.766	S	S	*	*			cis	-174.1	149	0.7	43.3	0	0	0	0	112.7
4	V	34.3	Very low	32.8	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.715	77%	0.772	S	S	*	*			trans	58.7	109.6	131.7	176.1	0	0	0	0	116.9
5	I	32.5	Very low	32.8	Very low	143 Å²	143	134.3 Å²	134.3	73%	0.733	78%	0.776	S	S	*	*				64.7	127.6	89.7	-62.1	159.7	0	0	0	110.9
6	Q	33.9	Very low	32.3	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	77%	0.769	S	S	*	*				-170.7	156.6	62.8	-152.6	155.6	-6.4	0	0	113.6
7	P	36.3	Very low	32.1	Very low	120 Å²	120	134.4 Å²	134.4	78%	0.779	78%	0.777	S	S	*	*			trans	-118.6	152.1	168.1	38.9	-29	0	0	0	114.4
8	S	33.1	Very low	31.7	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	77%	0.774	S	S	*	*			trans	-167.6	132.9	167.8	59.6	0	0	0	0	114.6
9	T	29.7	Very low	31.7	Very low	119 Å²	119	137.1 Å²	137.1	73%	0.73	78%	0.783	S	S	*	*			trans	39.6	149.4	138.1	57.4	0	0	0	0	121.7
10	Q	35	Very low	31.6	Very low	166 Å²	166	139 Å²	139	78%	0.776	79%	0.785	S	S	*	*			cis	-165.7	132.4	27.7	-130.7	156.3	24.6	0	0	109
11	S	29.7	Very low	31.9	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	78%	0.775	S	S	*	*				82.2	144.4	105	69.4	0	0	0	0	119.8
12	S	30.8	Very low	31.7	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	77%	0.768	S	S	*	*			trans	66	149.6	162.9	33.7	0	0	0	0	118.9
13	S	33.7	Very low	32	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	77%	0.77	S	S	*	*			cis	-168.4	141.3	-10.2	47.2	0	0	0	0	113.3
14	L	26.8	Very low	32.2	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	77%	0.773	S	S	*	*			trans	44.1	162.2	140.2	-62.3	176	0	0	0	123.9
15	L	31.9	Very low	32	Very low	159 Å²	159	137.2 Å²	137.2	83%	0.832	78%	0.78	S	S	*	*			trans	75.2	114.2	171.8	-48.1	177.8	0	0	0	115
16	S	25.6	Very low	32.2	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	78%	0.784	S	S	*	*			cis	83	111.4	39.4	82.5	0	0	0	0	115.1
17	L	29.1	Very low	32.1	Very low	173 Å²	173	137 Å²	137	91%	0.906	78%	0.781	S	S	*	*			trans	-179.5	144.6	135.3	-99.6	162.2	0	0	0	110.9
18	S	25	Very low	31.7	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	78%	0.781	S	S	*	*			trans	-92.5	154.1	176.3	-47.3	0	0	0	0	111.4
19	F	31.1	Very low	31.6	Very low	217 Å²	217	140.7 Å²	140.7	95%	0.952	79%	0.789	S	S	*	*			trans	-155.5	155.6	146.1	-102.5	-68.5	0	0	0	110.9
20	E	30.6	Very low	31.4	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	79%	0.785	S	S	*	*			trans	-124.6	-148.5	-159.7	-153.4	-149.8	164.7	0	0	112.6
21	P	37.3	Very low	31	Very low	87 Å²	87	139.3 Å²	139.3	57%	0.565	79%	0.789	S	S	*	*				-115.9	172.7	-124.5	42.2	-27.6	0	0	0	115.3
22	H	33.7	Very low	31	Very low	205 Å²	205	143.1 Å²	143.1	95%	0.949	80%	0.802	S	S	*	*			trans	-147.9	141.3	156.6	-83.5	-43.3	0	0	0	113.7
23	A	37.6	Very low	30.9	Very low	96 Å²	96	142.9 Å²	142.9	79%	0.793	80%	0.8	S	S	*	*			trans	-149.7	151.7	169.2	0	0	0	0	0	109.9
24	P	38.5	Very low	30.9	Very low	119 Å²	119	143.1 Å²	143.1	77%	0.773	80%	0.799	S	S	*	*			trans	-141.5	121.4	159.6	33.8	-15.9	0	0	0	116.3
25	N	30.6	Very low	31	Very low	158 Å²	158	143.8 Å²	143.8	85%	0.845	80%	0.798	S	S	*	*			trans	20.1	139.3	136.5	-60.7	-25	0	0	0	121.8
26	K	36.1	Very low	30.8	Very low	192 Å²	192	144.7 Å²	144.7	84%	0.835	80%	0.797	S	S	*	*				-171.6	137	116.6	-106	160.3	-174.6	174.9	0	116.7
27	T	32.8	Very low	31	Very low	119 Å²	119	147.4 Å²	147.4	73%	0.73	80%	0.803	S	S	*	*			trans	38.1	119	149.5	52.7	0	0	0	0	120.2
28	V	28.3	Very low	31	Very low	131 Å²	131	147.9 Å²	147.9	79%	0.794	80%	0.8	S	S	*	*				70.3	108.5	51.6	-176.8	0	0	0	0	115
29	L	29.6	Very low	31.2	Very low	171 Å²	171	154.1 Å²	154.1	90%	0.895	81%	0.808	S	S	*	*			trans	-162	168.7	138	-113.9	170.5	0	0	0	110.2
30	S	26.2	Very low	30.9	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	80%	0.797	S	S	*	*			trans	-142.7	172.9	-156.7	-50.9	0	0	0	0	114.7
31	L	26.5	Very low	30.9	Very low	163 Å²	163	149.4 Å²	149.4	85%	0.853	80%	0.797	S	S	*	*			trans	102.5	145.4	154.9	-63.4	160.3	0	0	0	120.1
32	L	29.4	Very low	30.5	Very low	172 Å²	172	153.9 Å²	153.9	90%	0.901	80%	0.804	S	S	*	*			trans	83.3	127.2	160.8	-67.8	158.6	0	0	0	120.1
33	S	28.1	Very low	30.1	Very low	107 Å²	107	150.6 Å²	150.6	75%	0.748	80%	0.799	S	S	*	*			trans	-129.6	-168.3	-179.6	61	0	0	0	0	108.2
34	P	35.2	Very low	29.7	Very low	107 Å²	107	155 Å²	155	70%	0.695	80%	0.795	S	S	*	*			cis	-122.2	173	-47.4	34.8	-21.4	0	0	0	111.8
35	Q	28.3	Very low	29.2	Very low	177 Å²	177	156.5 Å²	156.5	83%	0.827	79%	0.791	S	S	*	*			trans	-179.3	140.3	131	-101.9	171.2	22.8	0	0	115.3
36	Q	28.3	Very low	29	Very low	177 Å²	177	155.1 Å²	155.1	83%	0.827	79%	0.788	S	S	*	*			trans	19.9	115.9	154.8	-60.3	-176.2	-5.4	0	0	121.2
37	I	29.5	Very low	28.6	Very low	154 Å²	154	152.3 Å²	152.3	79%	0.79	78%	0.781	S	S	*	*			trans	-128	112.4	147.7	-63.4	-178.7	0	0	0	109.5	R39	I37-R39 HydrophobicContact CG2-CG 4.37Å
38	H	27.6	Very low	28.3	Very low	183 Å²	183	151.7 Å²	151.7	85%	0.847	77%	0.773	S	S	*	*			trans	-77.5	121.4	172.6	-126.8	-86.9	0	0	0	110.2
39	R	30.2	Very low	28.3	Very low	233 Å²	233	151.1 Å²	151.1	88%	0.879	77%	0.774	S	S	*	*			trans	-137.7	85.6	167.3	-87	-167.6	172.2	-171	0.3	112.1	I37 K41	I37-R39 HydrophobicContact CG2-CG 4.37Å; R39-K41 PolarHBondContact O-N 3.25Å
40	S	25.7	Very low	28.2	Very low	104 Å²	104	148.1 Å²	148.1	73%	0.727	76%	0.759	S	S	*	*			trans	-69.2	115.1	161.5	50.8	0	0	0	0	110.1
41	K	29.7	Very low	28.4	Very low	190 Å²	190	151.7 Å²	151.7	83%	0.826	77%	0.765	S	S	*	*			trans	-175.2	97	163.4	-108.2	160	-174.5	-179.7	0	111.9	R39	R39-K41 PolarHBondContact O-N 3.25Å
42	Y	29.8	Very low	28.5	Very low	182 Å²	182	150.8 Å²	150.8	71%	0.714	76%	0.76	S	S	*	*			trans	-161.4	57.3	142.2	-102	-60.9	0	0	0	111.7	R44	Y42-R44 PolarHBondContact O-N 3.3Å
43	T	25.2	Very low	28.3	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	75%	0.75	S	S	*	*			trans	-69.2	105.3	164.6	48.1	0	0	0	0	109.6
44	R	28.2	Very low	28.3	Very low	187 Å²	187	153.2 Å²	153.2	71%	0.706	76%	0.757	S	S	*	*			trans	-141.5	107	173.3	-80.4	-161.6	168.6	173.8	-2.7	114	Y42	Y42-R44 PolarHBondContact O-N 3.3Å
45	H	27.7	Very low	28	Very low	151 Å²	151	155.5 Å²	155.5	70%	0.699	76%	0.756	S	S	*	*			trans	61	79.8	150.1	-49.2	98.8	0	0	0	117.7	I47	H45-I47 HydrophobicContact CB-CG1 4.21Å; H45-I47 PolarHBondContact O-N 3.31Å
46	V	26.8	Very low	28	Very low	129 Å²	129	150.8 Å²	150.8	78%	0.782	74%	0.743	S	S	*	*				-55	114.2	129.2	175	0	0	0	0	106.8	N48	V46-N48 PolarHBondContact O-N 3.21Å; V46-N48 VanDerWaalsContact O-N 3.12Å
47	I	27.7	Very low	28.2	Very low	134 Å²	134	144 Å²	144	69%	0.687	72%	0.715	S	S	*	*			trans	-81.7	89.6	174.6	-60.6	-178.5	0	0	0	107.7	H45 C49	H45-I47 HydrophobicContact CB-CG1 4.21Å; H45-I47 PolarHBondContact O-N 3.31Å; I47-C49 VanDerWaalsContact C-N 3.29Å; I47-C49 HydrophobicContact CG2-CB 4.39Å; I47-C49 WeakPolarHBondContact CG2-SG 3.17Å; I47-C49 PolarHBondContact O-N 3.25Å
48	N	26.5	Very low	28.2	Very low	105 Å²	105	140.4 Å²	140.4	56%	0.561	71%	0.708	S	S	*	*			trans	-73.2	84.2	168.4	-177.8	8.4	0	0	0	109.1	V46 N50	V46-N48 PolarHBondContact O-N 3.21Å; V46-N48 VanDerWaalsContact O-N 3.12Å; N48-N50 PolarHBondContact O-N 3.19Å; N48-N50 PolarHBondContact OD1-N 3.33Å; N48-N50 PolarHBondContact OD1-ND2 2.59Å
49	C	27.1	Very low	28.3	Very low	119 Å²	119	137 Å²	137	80%	0.804	70%	0.696	S	S	*	*			trans	-76.6	48.5	175.7	-94.5	0	0	0	0	112.8	I47	I47-C49 VanDerWaalsContact C-N 3.29Å; I47-C49 HydrophobicContact CG2-CB 4.39Å; I47-C49 WeakPolarHBondContact CG2-SG 3.17Å; I47-C49 PolarHBondContact O-N 3.25Å
50	N	27.8	Very low	28.4	Very low	108 Å²	108	129.2 Å²	129.2	58%	0.578	69%	0.689	S	S	*	*			trans	-91.1	143	161.2	-82.7	-65.5	0	0	0	110.3	N48	N48-N50 PolarHBondContact O-N 3.19Å; N48-N50 PolarHBondContact OD1-N 3.33Å; N48-N50 PolarHBondContact OD1-ND2 2.59Å
51	H	30.5	Very low	28.7	Very low	167 Å²	167	131.6 Å²	131.6	77%	0.773	69%	0.693	S	S	*	*			trans	81.9	106.2	172.3	-52.3	-66.9	0	0	0	119.7
52	L	28.3	Very low	28.7	Very low	144 Å²	144	130.2 Å²	130.2	75%	0.754	69%	0.694	S	S	*	*			trans	59.1	116.6	130.2	-77.4	76.4	0	0	0	121.1
53	C	25.6	Very low	28.7	Very low	103 Å²	103	128.6 Å²	128.6	70%	0.696	70%	0.697	S	S	*	*				46.6	116.2	122.2	-46.6	0	0	0	0	118.4
54	Y	29.6	Very low	29	Very low	227 Å²	227	127.7 Å²	127.7	89%	0.89	69%	0.687	S	S	*	*				-166.2	164.5	69	-118	-89	0	0	0	113.8
55	K	28.3	Very low	29.2	Very low	155 Å²	155	125.4 Å²	125.4	67%	0.674	69%	0.689	S	S	*	*			trans	-84.9	144.7	167.6	-65.8	170.6	-179	169.9	0	110.7	K271	K55-K271 HydrophobicContact CB-CD 4.16Å; K55-K271 HydrophobicContact CB-CG 3.95Å; K55-K271 HydrophobicContact CD-CG 4.11Å
56	S	28.7	Very low	29.3	Very low	79 Å²	79	125.2 Å²	125.2	55%	0.552	69%	0.69	S	S	*	*			trans	-111.1	150.2	161.7	96.7	0	0	0	0	111.3	K271 E273	S56-K271 WeakPolarHBondContact O-CD 3.4Å; S56-K271 WeakPolarHBondContact O-CE 3.39Å; S56-K271 PolarHBondContact O-NZ 3.33Å; S56-E273 WeakPolarHBondContact CB-OE1 3.49Å; S56-E273 PolarHBondContact OG-OE1 3.27Å
57	S	31.7	Very low	29.5	Very low	34 Å²	34	124.6 Å²	124.6	24%	0.238	69%	0.687	C	S	.	*			trans	-148.4	128.3	161.9	-110.8	0	0	0	0	107.9	D59 K271 Y272 E273	S57-D59 PolarHBondContact O-N 3.26Å; S57-K271 WeakPolarHBondContact OG-CD 3.46Å; S57-K271 PolarHBondContact OG-NZ 2.83Å; S57-Y272 CarbonylContact O-C 3.54Å; S57-E273 VanDerWaalsContact C-CG 3.45Å; S57-E273 VanDerWaalsContact C-OE1 3.24Å; S57-E273 PolarHBondContact N-OE1 2.94Å; S57-E273 WeakPolarHBondContact O-CB 3.48Å; S57-E273 WeakPolarHBondContact O-CG 3.38Å; S57-E273 PolarHBondContact O-N 3.48Å
58	A	29.5	Very low	29.7	Very low	78 Å²	78	126.2 Å²	126.2	65%	0.645	69%	0.691	S	S	*	*			trans	-59.6	124.2	157.8	0	0	0	0	0	109.1	E273	A58-E273 WeakPolarHBondContact CA-OE2 3.35Å; A58-E273 PolarHBondContact N-OE1 3.45Å; A58-E273 PolarHBondContact N-OE2 3.32Å
59	D	30.6	Very low	30.1	Very low	112 Å²	112	125.3 Å²	125.3	60%	0.599	69%	0.691	S	S	*	*			trans	-138.1	122.5	159.5	-92.8	-49.8	0	0	0	106.4	S57	S57-D59 PolarHBondContact O-N 3.26Å
60	G	32.1	Very low	30.3	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	69%	0.689	S	S	*	*			trans	-122	90	-172.9	0	0	0	0	0	111.4
61	N	32.3	Very low	30.4	Very low	153 Å²	153	127.8 Å²	127.8	82%	0.818	69%	0.694	S	S	*	*			trans	29.1	122.6	164.1	-63.4	-6.1	0	0	0	119.3
62	L	28.9	Very low	30.4	Very low	161 Å²	161	125.9 Å²	125.9	84%	0.843	69%	0.694	S	S	*	*			trans	-117.7	125.3	163	-169.9	154.2	0	0	0	110
63	L	29.7	Very low	30.5	Very low	148 Å²	148	122.3 Å²	122.3	78%	0.775	68%	0.681	S	S	*	*			trans	-145	146.8	160.7	-121.2	69.5	0	0	0	104
64	D	32.1	Very low	30.8	Very low	117 Å²	117	124.5 Å²	124.5	63%	0.626	68%	0.681	S	S	*	*			cis	-139.8	166.9	21	-88.1	-68.4	0	0	0	112.3
65	N	30.9	Very low	30.9	Very low	139 Å²	139	120.1 Å²	120.1	74%	0.743	67%	0.668	S	S	*	*			trans	69.4	145.4	159.8	-62.5	-41.4	0	0	0	117.7
66	M	30.2	Very low	30.9	Very low	147 Å²	147	119.5 Å²	119.5	72%	0.724	67%	0.671	S	S	*	*			cis	-154.9	154.7	2.6	-134.3	-174.1	-64.6	0	0	110.6
67	T	32.4	Very low	31	Very low	117 Å²	117	119.8 Å²	119.8	72%	0.718	67%	0.673	S	S	*	*			trans	60	148.3	157.1	53.6	0	0	0	0	119.1
68	H	31.1	Very low	30.8	Very low	168 Å²	168	123.2 Å²	123.2	78%	0.778	70%	0.696	S	S	*	*			cis	-172.8	-177.8	-25.1	-122.1	-29.5	0	0	0	107
69	P	34.8	Very low	30.8	Very low	86 Å²	86	128.7 Å²	128.7	56%	0.558	71%	0.705	S	S	*	*				-116.2	-163.5	-71.7	18.1	6.8	0	0	0	112.6
70	H	32.1	Very low	31.1	Very low	166 Å²	166	128.5 Å²	128.5	77%	0.769	71%	0.71	S	S	*	*			trans	82.1	136.4	157	-64.1	-56.7	0	0	0	119.3
71	V	29.4	Very low	31	Very low	113 Å²	113	134.2 Å²	134.2	69%	0.685	72%	0.718	S	S	*	*			cis	-162.5	144.7	-16	90.6	0	0	0	0	111.6
72	V	30.5	Very low	30.9	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	71%	0.711	S	S	*	*			trans	61.5	143.5	147.8	156.7	0	0	0	0	119.7
73	S	29.2	Very low	31	Very low	68 Å²	68	129.5 Å²	129.5	48%	0.476	71%	0.71	S	S	.	*			cis	179.9	167.5	-17.1	62.7	0	0	0	0	110.6
74	H	33	Very low	31.1	Very low	149 Å²	149	128.4 Å²	128.4	69%	0.69	71%	0.712	S	S	*	*			trans	65.6	146.8	148.8	-60.6	-43.6	0	0	0	118.2
75	H	31.7	Very low	31.2	Very low	135 Å²	135	128.8 Å²	128.8	63%	0.625	72%	0.718	S	S	*	*			cis	-165.3	146.9	-14.8	-115.2	-22.6	0	0	0	110.8
76	L	29.2	Very low	31.3	Very low	143 Å²	143	129.4 Å²	129.4	75%	0.749	72%	0.722	S	S	*	*			trans	61.9	155.1	136.8	-63.5	171.9	0	0	0	119.7
77	S	28.8	Very low	31.4	Very low	85 Å²	85	130 Å²	130	59%	0.594	73%	0.726	S	S	*	*			cis	-174.7	135.9	-14.3	169.8	0	0	0	0	111.7
78	C	27.8	Very low	31.6	Very low	105 Å²	105	129.7 Å²	129.7	71%	0.709	73%	0.726	S	S	*	*			trans	58.2	162.6	148.3	-66.3	0	0	0	0	119.9
79	K	29.5	Very low	31.7	Very low	193 Å²	193	131.2 Å²	131.2	84%	0.839	73%	0.731	S	S	*	*			cis	-154.6	169.9	-24.7	-113.2	-177.2	176.4	-169.8	0	108.8
80	P	37.7	Very low	31.6	Very low	108 Å²	108	131.7 Å²	131.7	70%	0.701	74%	0.742	S	S	*	*			trans	-106.6	-152.1	-169.7	42.3	-34.7	0	0	0	113.9
81	E	28.9	Very low	31.6	Very low	190 Å²	190	131.5 Å²	131.5	89%	0.888	75%	0.746	S	S	*	*			trans	88.6	147.5	177.3	-48.4	-172.9	126.3	0	0	114.3
82	A	31.1	Very low	31.6	Very low	81 Å²	81	133.3 Å²	133.3	67%	0.669	75%	0.751	S	S	*	*			cis	-151.1	160.5	15.9	0	0	0	0	0	116.1
83	T	30.3	Very low	31.6	Very low	135 Å²	135	135.3 Å²	135.3	83%	0.828	76%	0.756	S	S	*	*			trans	58.2	129.1	147	50.4	0	0	0	0	124
84	P	32.7	Very low	31.6	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	77%	0.773	S	S	*	*			trans	-111	161.8	162.5	39.9	-31.6	0	0	0	114.2
85	T	33.7	Very low	31.7	Very low	125 Å²	125	136.5 Å²	136.5	77%	0.767	78%	0.779	S	S	*	*			trans	-151.2	158.7	167.8	50.5	0	0	0	0	115.8
86	N	33.5	Very low	31.8	Very low	152 Å²	152	136 Å²	136	81%	0.813	79%	0.787	S	S	*	*			trans	89	126.3	155.8	-59.8	-36.9	0	0	0	121.8
87	I	31.5	Very low	31.9	Very low	160 Å²	160	136.7 Å²	136.7	82%	0.821	79%	0.791	S	S	*	*			trans	-154.6	124.2	-171.2	-60.1	166.4	0	0	0	110.2
88	P	37.1	Very low	32.2	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	80%	0.798	S	S	*	*			trans	-151.6	121.6	138.3	33.3	-13.5	0	0	0	118.4
89	K	32.7	Very low	32.4	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.865	80%	0.803	S	S	*	*				43.1	123.5	124	-53.8	167.5	-173	170.6	0	122
90	A	33.9	Very low	32.2	Very low	97 Å²	97	142.7 Å²	142.7	80%	0.802	81%	0.805	S	S	*	*				-172	154.7	125.8	0	0	0	0	0	110.1
91	L	31.6	Very low	32	Very low	162 Å²	162	149.1 Å²	149.1	85%	0.848	82%	0.815	S	S	*	*			cis	-152.2	170.3	-29	-115.4	175.1	0	0	0	109
92	L	28.8	Very low	32.1	Very low	151 Å²	151	151.7 Å²	151.7	79%	0.791	82%	0.817	S	S	*	*			trans	-63.7	149.3	-174	-65.9	147.1	0	0	0	115.1
93	L	30.7	Very low	32.4	Very low	168 Å²	168	154.1 Å²	154.1	88%	0.88	83%	0.826	S	S	*	*				176.7	138.3	116	-95.2	157.7	0	0	0	113.5
94	S	30.4	Very low	32.5	Very low	117 Å²	117	149.1 Å²	149.1	82%	0.818	80%	0.802	S	S	*	*			trans	-132.3	129.8	176.3	-47.8	0	0	0	0	111.4
95	P	33.3	Very low	32.5	Very low	126 Å²	126	148.2 Å²	148.2	82%	0.818	79%	0.79	S	S	*	*			trans	-106.1	167.9	168	24.7	-8.2	0	0	0	113.6
96	P	33.8	Very low	32.4	Very low	123 Å²	123	144.2 Å²	144.2	80%	0.799	77%	0.767	S	S	*	*			trans	-128.1	-176.4	-140.9	42.9	-29.5	0	0	0	117.4
97	L	33	Very low	32.3	Very low	159 Å²	159	144 Å²	144	83%	0.832	77%	0.765	S	S	*	*			trans	-78.2	143.8	172.8	-62	168.7	0	0	0	113.6
98	P	33.3	Very low	32.1	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	76%	0.76	S	S	*	*			trans	-120.5	127.3	144.5	33.4	-22.4	0	0	0	110.4
99	I	33.3	Very low	31.7	Very low	156 Å²	156	140.4 Å²	140.4	80%	0.8	75%	0.752	S	S	*	*				75.7	128.7	52.8	-58.9	177.9	0	0	0	113.2
100	R	25.8	Very low	31.7	Very low	237 Å²	237	138.4 Å²	138.4	89%	0.894	75%	0.746	S	S	*	*			trans	-125	129	-162.3	172.3	-165.1	-171.3	-171.2	7.5	110.8
101	R	31.9	Very low	31.3	Very low	242 Å²	242	144.3 Å²	144.3	91%	0.913	75%	0.747	S	S	*	*			trans	-135.4	177.4	169.3	-68.9	-165.8	173	-177.6	-1.3	112.1
102	R	32.1	Very low	31.3	Very low	244 Å²	244	147.1 Å²	147.1	92%	0.921	75%	0.748	S	S	*	*			trans	-116.8	163.8	-152.1	-80.8	-177.9	175.5	167.1	-2.8	115.5
103	P	36.7	Very low	31.2	Very low	132 Å²	132	143.8 Å²	143.8	86%	0.857	74%	0.737	S	S	*	*			trans	-98.5	178.1	173.3	40.6	-36.7	0	0	0	114.2
104	G	33.9	Very low	31.3	Very low	31 Å²	31	145.8 Å²	145.8	32%	0.32	74%	0.739	S	S	.	*			trans	169.8	106.5	161	0	0	0	0	0	119.5	V306 Q307	G104-V306 CarbonylContact O-C 3.59Å; G104-V306 PolarHBondContact O-N 3.3Å; G104-Q307 PolarHBondContact O-N 3.41Å
105	D	32.8	Very low	31.3	Very low	104 Å²	104	143.7 Å²	143.7	56%	0.556	74%	0.736	S	S	*	*			trans	62.6	164.9	148.7	-48.9	-12.2	0	0	0	120	K305 Q307	D105-K305 HydrophobicContact CB-CD 4.19Å; D105-K305 HydrophobicContact CB-CG 4.28Å; D105-K305 VanDerWaalsContact OD2-CE 3.25Å; D105-K305 WeakPolarHBondContact OD2-CE 3.4Å; D105-Q307 WeakPolarHBondContact O-CA 3.46Å; D105-Q307 WeakPolarHBondContact O-CB 3.31Å; D105-Q307 PolarHBondContact O-N 3.14Å
106	S	31	Very low	31.5	Very low	41 Å²	41	143.2 Å²	143.2	29%	0.287	73%	0.733	S	S	.	*			cis	-163	161.5	12.4	-13	0	0	0	0	116.5	K305	S106-K305 WeakPolarHBondContact OG-CD 3.28Å; S106-K305 WeakPolarHBondContact OG-CE 3.23Å; S106-K305 PolarHBondContact OG-NZ 2.93Å
107	L	29.9	Very low	31.3	Very low	147 Å²	147	142.7 Å²	142.7	77%	0.77	73%	0.728	S	S	*	*			trans	65.7	161.7	145.5	-63.2	165.1	0	0	0	116.8
108	T	29.4	Very low	31.1	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	72%	0.718	S	S	*	*			cis	-163.6	161.4	2.4	6.8	0	0	0	0	107.2
109	S	28.4	Very low	31	Very low	80 Å²	80	145.6 Å²	145.6	56%	0.559	72%	0.721	S	S	*	*			cis	-171.6	-176.6	-16.5	44.2	0	0	0	0	109.9
110	H	32.2	Very low	30.9	Very low	156 Å²	156	142.3 Å²	142.3	72%	0.722	71%	0.712	S	S	*	*			trans	76.3	124.3	176.9	-52.8	-87.6	0	0	0	115.9
111	R	25.9	Very low	31.1	Very low	221 Å²	221	138.9 Å²	138.9	83%	0.834	71%	0.711	S	S	*	*			cis	85.3	116.9	34.2	-70	-170.9	-178.6	-173.6	3.1	114.5
112	Y	30.6	Very low	31.2	Very low	221 Å²	221	132 Å²	132	87%	0.867	70%	0.699	S	S	*	*			trans	159.4	144.3	135.5	-84.1	-64.3	0	0	0	107
113	S	27.8	Very low	31.1	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	69%	0.689	S	S	*	*			cis	169	153.2	-41.4	57.6	0	0	0	0	107.6
114	K	32.9	Very low	30.9	Very low	211 Å²	211	126 Å²	126	92%	0.917	69%	0.686	S	S	*	*			trans	71.2	145.7	167.7	-54.2	176.7	175.6	-179.9	0	117.9
115	G	28.6	Very low	30.8	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	71%	0.708	S	S	*	*			trans	133.8	109.6	144.6	0	0	0	0	0	114.3
116	P	39.3	Very low	30.6	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	72%	0.724	S	S	*	*			trans	-122.4	-176.8	-172.9	31.4	-12.1	0	0	0	115
117	T	29.1	Very low	30.3	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	74%	0.743	S	S	*	*			trans	111.5	144.9	144.9	74.6	0	0	0	0	119.5
118	N	29.5	Very low	30.3	Very low	116 Å²	116	142.3 Å²	142.3	62%	0.62	75%	0.746	S	S	*	*			trans	98.5	115.7	136.9	-82.4	-49.1	0	0	0	121.4
119	R	30.2	Very low	30.1	Very low	219 Å²	219	142.5 Å²	142.5	83%	0.826	74%	0.742	S	S	*	*			trans	84.5	144.3	131	-68.6	173.3	-171.9	-151	-1.8	119.2
120	S	32.2	Very low	30.1	Very low	87 Å²	87	146.6 Å²	146.6	61%	0.608	75%	0.752	S	S	*	*			cis	-176.1	146.5	-12.7	47.2	0	0	0	0	114.5
121	L	30	Very low	29.9	Very low	166 Å²	166	143.7 Å²	143.7	87%	0.869	75%	0.75	S	S	*	*			trans	63.7	160.5	146.6	-64.6	163.5	0	0	0	117.4
122	S	33.2	Very low	29.9	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	75%	0.747	S	S	*	*			cis	-148.5	137.9	1.5	27.5	0	0	0	0	108.1
123	S	29	Very low	29.9	Very low	100 Å²	100	137 Å²	137	70%	0.699	75%	0.749	S	S	*	*				62.1	147.4	93	91	0	0	0	0	114.6
124	D	34.1	Very low	30	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	76%	0.758	S	S	*	*			cis	-136.4	177.1	36.7	-75.1	-43.5	0	0	0	117.1
125	H	30.1	Very low	29.7	Very low	166 Å²	166	137.4 Å²	137.4	77%	0.769	76%	0.755	S	S	*	*			trans	-81.3	160.7	-178	-81.8	-95.6	0	0	0	115.3
126	C	29.3	Very low	29.6	Very low	132 Å²	132	142.4 Å²	142.4	89%	0.892	76%	0.759	S	S	*	*				-157.4	144.5	115.9	-141.7	0	0	0	0	112.5
127	E	25.8	Very low	28.9	Very low	148 Å²	148	146.8 Å²	146.8	69%	0.692	76%	0.762	S	S	*	*			trans	-107.4	153.2	-177.2	-54.2	172.9	129.3	0	0	112.7
128	R	28.2	Very low	28.7	Very low	219 Å²	219	152.2 Å²	152.2	83%	0.826	77%	0.771	S	S	*	*				173.5	132.2	119.2	-92.5	164.8	-147.3	168.3	9.1	113.9
129	N	26.4	Very low	28.6	Very low	122 Å²	122	155 Å²	155	65%	0.652	78%	0.781	S	S	*	*			trans	27.6	134.8	135.8	-36.3	-9.7	0	0	0	118.8
130	H	28.6	Very low	28.4	Very low	165 Å²	165	151 Å²	151	76%	0.764	78%	0.781	S	S	*	*			cis	-162.2	160.6	49	-92.4	-83.2	0	0	0	113.9
131	S	27.8	Very low	28.2	Very low	96 Å²	96	155.7 Å²	155.7	67%	0.671	79%	0.79	S	S	*	*			trans	43.1	109.5	154.4	57.1	0	0	0	0	119.8
132	T	25.4	Very low	28	Very low	126 Å²	126	154.1 Å²	154.1	77%	0.773	79%	0.788	S	S	*	*				70.6	100.4	57.3	73	0	0	0	0	116.7
133	L	31.3	Very low	27.8	Very low	175 Å²	175	155.1 Å²	155.1	92%	0.916	80%	0.795	S	S	*	*				-149.7	153.6	129.2	-111.2	171.4	0	0	0	108.1
134	N	29.6	Very low	27.7	Very low	142 Å²	142	160 Å²	160	76%	0.759	80%	0.804	S	S	*	*			trans	-103.1	150.6	-148.7	-59.4	-16.8	0	0	0	115.6
135	D	25.4	Very low	27.4	Very low	158 Å²	158	161.1 Å²	161.1	85%	0.845	80%	0.804	S	S	*	*			trans	-65.9	147.2	157.6	-57.2	-82.1	0	0	0	112.2
136	E	26.2	Very low	27.1	Very low	179 Å²	179	158.2 Å²	158.2	84%	0.836	80%	0.802	S	S	*	*			trans	-173.2	105.6	136.5	-113.3	-177.3	-155.1	0	0	111.2
137	Y	26.4	Very low	27	Very low	206 Å²	206	160.4 Å²	160.4	81%	0.808	80%	0.804	S	S	*	*			trans	175.1	75.1	130.5	-115.6	-96.9	0	0	0	112.9
138	Y	24.8	Very low	27	Very low	227 Å²	227	159.7 Å²	159.7	89%	0.89	81%	0.805	S	S	*	*			trans	-140.3	67.3	167.2	-114.7	-71.7	0	0	0	112
139	Q	25.8	Very low	27	Very low	175 Å²	175	154.2 Å²	154.2	82%	0.818	80%	0.801	S	S	*	*			trans	-163.1	107.7	165.6	-116	151.2	98	0	0	114.2
140	T	26.9	Very low	27.2	Very low	135 Å²	135	155.8 Å²	155.8	83%	0.828	82%	0.815	S	S	*	*			trans	-152.8	82.7	148.3	-13.1	0	0	0	0	110.5	T142	T140-T142 PolarHBondContact O-N 3.26Å
141	K	28	Very low	27.2	Very low	185 Å²	185	153.4 Å²	153.4	80%	0.804	81%	0.812	S	S	*	*			trans	-66.8	127.3	172	-76.7	174.5	174.5	169.5	0	110.4
142	T	26.6	Very low	27.2	Very low	134 Å²	134	155.9 Å²	155.9	82%	0.822	82%	0.818	S	S	*	*			trans	29.4	102.5	145.8	58.5	0	0	0	0	118.1	T140	T140-T142 PolarHBondContact O-N 3.26Å
143	S	28.8	Very low	27.3	Very low	117 Å²	117	159.2 Å²	159.2	82%	0.818	82%	0.822	S	S	*	*			trans	-133.7	76.8	169.5	49.9	0	0	0	0	113.1	Q145	S143-Q145 PolarHBondContact O-N 2.81Å
144	F	26	Very low	27.1	Very low	201 Å²	201	157.5 Å²	157.5	88%	0.882	81%	0.813	S	S	*	*			trans	-69.3	122	161.1	-99.2	-95.7	0	0	0	110
145	Q	27.3	Very low	27.1	Very low	176 Å²	176	156.7 Å²	156.7	82%	0.822	81%	0.807	S	S	*	*				174.6	151.5	120.8	-96.4	169.5	64.1	0	0	115.5	S143	S143-Q145 PolarHBondContact O-N 2.81Å
146	S	25.4	Very low	27.1	Very low	104 Å²	104	158.4 Å²	158.4	73%	0.727	81%	0.807	S	S	*	*			trans	50.1	98.8	153.6	61.5	0	0	0	0	120.7
147	L	27.3	Very low	27.3	Very low	179 Å²	179	155.5 Å²	155.5	94%	0.937	81%	0.806	S	S	*	*				-131.1	100.8	127	-92.7	176.3	0	0	0	109.2
148	N	25.8	Very low	27.3	Very low	133 Å²	133	154.6 Å²	154.6	71%	0.711	81%	0.809	S	S	*	*			trans	-155.8	145.9	173.4	-119.9	-40.8	0	0	0	109.8
149	S	26.8	Very low	27.5	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	80%	0.803	S	S	*	*			trans	55.4	98.1	179.1	64.9	0	0	0	0	118.4
150	T	31.7	Very low	27.8	Very low	155 Å²	155	146.3 Å²	146.3	95%	0.951	80%	0.801	S	S	*	*			trans	-132.8	101.5	143.7	-39.1	0	0	0	0	108.5
151	T	27.4	Very low	27.9	Very low	114 Å²	114	145.4 Å²	145.4	70%	0.699	80%	0.797	S	S	*	*			trans	-122.6	136.6	-177.9	50.9	0	0	0	0	112.4
152	N	27.6	Very low	28	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	80%	0.802	S	S	*	*			trans	79.1	145.6	164.3	-59	-45.4	0	0	0	118.9
153	K	28.3	Very low	27.9	Very low	196 Å²	196	147 Å²	147	85%	0.852	81%	0.805	S	S	*	*			trans	77.7	136.6	176.1	-58.2	177	-177.6	178.2	0	113.6
154	L	27.6	Very low	27.9	Very low	139 Å²	139	149.3 Å²	149.3	73%	0.728	81%	0.808	S	S	*	*			cis	-150.1	131.2	16	-156	79.3	0	0	0	113.7
155	I	28.1	Very low	28.1	Very low	125 Å²	125	149.1 Å²	149.1	64%	0.641	81%	0.807	S	S	*	*			trans	57.4	125.2	142.3	-73	174.8	0	0	0	122.2
156	K	26	Very low	28	Very low	194 Å²	194	150.7 Å²	150.7	84%	0.843	81%	0.811	S	S	*	*			trans	46.3	133.5	146.8	-59.5	171.8	-166.8	177.5	0	118.7
157	S	29.9	Very low	28.2	Very low	117 Å²	117	151.8 Å²	151.8	82%	0.818	82%	0.818	S	S	*	*				-149.2	174.8	52.9	52.8	0	0	0	0	115.4
158	Q	27.9	Very low	28.1	Very low	188 Å²	188	147.9 Å²	147.9	88%	0.879	81%	0.806	S	S	*	*			trans	-94.1	170.2	171.7	-52.3	150.8	-49.1	0	0	108.1
159	S	28.9	Very low	28.2	Very low	107 Å²	107	150 Å²	150	75%	0.748	81%	0.811	S	S	*	*			cis	-170.6	-171.4	25.5	56.5	0	0	0	0	109
160	P	31.4	Very low	28.2	Very low	120 Å²	120	152.9 Å²	152.9	78%	0.779	81%	0.811	S	S	*	*				-127.4	-139.2	-68.7	46.8	-29.2	0	0	0	110.5
161	P	29.7	Very low	27.8	Very low	117 Å²	117	151.7 Å²	151.7	76%	0.76	80%	0.803	S	S	*	*			trans	-125.5	162.9	-139.3	34.9	-11.7	0	0	0	117.9
162	T	30	Very low	27.7	Very low	146 Å²	146	152.8 Å²	152.8	90%	0.896	81%	0.805	S	S	*	*			trans	-121.6	148.5	161.8	46	0	0	0	0	111.6
163	K	24.6	Very low	27.6	Very low	206 Å²	206	152.5 Å²	152.5	90%	0.896	80%	0.802	S	S	*	*			trans	-101.5	141.9	-170.8	-55.4	168.4	-176.5	171.1	0	110.6
164	L	29.4	Very low	27.5	Very low	166 Å²	166	149.6 Å²	149.6	87%	0.869	80%	0.801	S	S	*	*			trans	-147.4	120.1	153	-112	157.9	0	0	0	112.6
165	K	30.1	Very low	27.4	Very low	197 Å²	197	151.9 Å²	151.9	86%	0.857	81%	0.805	S	S	*	*			trans	5.2	126.8	171	-64.1	175.7	178.6	-179.4	0	120
166	K	24.6	Very low	27.4	Very low	209 Å²	209	150.7 Å²	150.7	91%	0.909	80%	0.804	S	S	*	*			trans	-67.2	152.1	154.3	-62.7	178.5	177.3	-178.5	0	110.5
167	S	29.7	Very low	27.3	Very low	126 Å²	126	148.9 Å²	148.9	88%	0.881	80%	0.803	S	S	*	*			trans	-128.8	147.9	149.8	-171.7	0	0	0	0	108.2
168	S	25.5	Very low	27.1	Very low	98 Å²	98	151.9 Å²	151.9	69%	0.685	80%	0.804	S	S	*	*			trans	-133.8	108.7	-167.1	52.9	0	0	0	0	112.4
169	H	26.3	Very low	27	Very low	177 Å²	177	151.7 Å²	151.7	82%	0.819	80%	0.801	S	S	*	*			trans	-169.3	138.4	158.3	-85.4	-78.8	0	0	0	104.5
170	F	27.1	Very low	26.9	Very low	164 Å²	164	153.7 Å²	153.7	72%	0.719	80%	0.803	S	S	*	*			cis	-119.5	143.9	15	-93.1	-110.9	0	0	0	113.3	L173	F170-L173 HydrophobicContact CE1-CD1 4.41Å
171	T	24.7	Very low	26.6	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	80%	0.799	S	S	*	*			trans	-151.2	149.4	157.8	-54.2	0	0	0	0	106.4
172	L	25.2	Very low	26.4	Very low	138 Å²	138	154.5 Å²	154.5	72%	0.723	80%	0.802	S	S	*	*			trans	72.3	117.2	-159.2	-71.1	69.6	0	0	0	114
173	L	25.5	Very low	26.3	Very low	142 Å²	142	155.2 Å²	155.2	74%	0.743	80%	0.801	S	S	*	*			trans	-164.9	55.9	141	-110.4	172.2	0	0	0	109.1	F170	F170-L173 HydrophobicContact CE1-CD1 4.41Å
174	T	26	Very low	26.6	Very low	136 Å²	136	153.5 Å²	153.5	83%	0.834	80%	0.801	S	S	*	*	S	Bend	trans	-139	11.6	179.5	46.9	0	0	0	0	112.9
175	K	25.9	Very low	26.5	Very low	187 Å²	187	153.4 Å²	153.4	81%	0.813	80%	0.8	S	S	*	*	S	Bend	trans	-154.8	82	178	-73.1	-169.6	177.7	-176.6	0	111.1
176	T	27.2	Very low	26.5	Very low	99 Å²	99	149.6 Å²	149.6	61%	0.607	80%	0.797	S	S	*	*			trans	-175.1	92.8	152.9	28.8	0	0	0	0	106.8	F179	T176-F179 HydrophobicContact CG2-CD2 4.43Å
177	N	24.6	Very low	26.6	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	79%	0.789	S	S	*	*			trans	-74.4	163.9	137.1	-68.2	6.5	0	0	0	106.1
178	E	24.3	Very low	26.8	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	79%	0.788	S	S	*	*			trans	69.1	96.4	-170.6	-53	166.4	177.6	0	0	112.1
179	F	27.2	Very low	26.8	Very low	185 Å²	185	150.4 Å²	150.4	81%	0.811	79%	0.792	S	S	*	*			trans	-157.1	151.8	139	-103.3	-65.7	0	0	0	108.3	T176	T176-F179 HydrophobicContact CG2-CD2 4.43Å
180	D	25.6	Very low	27.1	Very low	149 Å²	149	148.6 Å²	148.6	80%	0.797	79%	0.789	S	S	*	*			trans	-82.8	167.4	-147.6	-58	-85.9	0	0	0	116.7
181	S	25.4	Very low	27.1	Very low	98 Å²	98	146 Å²	146	69%	0.685	79%	0.786	S	S	*	*	S	Bend	trans	-63.5	171.9	161.5	-54.6	0	0	0	0	111.8
182	D	26.2	Very low	27.2	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	78%	0.783	S	S	*	*			trans	67.3	71.5	159	-49.5	-26.8	0	0	0	117.2
183	D	27.8	Very low	27.4	Very low	162 Å²	162	147.2 Å²	147.2	87%	0.866	78%	0.783	S	S	*	*			trans	-166.7	113.2	135.9	-117.1	-21.7	0	0	0	114.3
184	L	31.2	Very low	27.5	Very low	170 Å²	170	148.5 Å²	148.5	89%	0.89	79%	0.785	S	S	*	*			trans	167.8	87.3	139.1	-95.2	162.7	0	0	0	111.7
185	L	26.1	Very low	27.8	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	79%	0.788	S	S	*	*			trans	-84.2	139.9	168.6	-82.7	162.9	0	0	0	111.8
186	C	29.7	Very low	27.7	Very low	118 Å²	118	150.5 Å²	150.5	80%	0.797	79%	0.788	S	S	*	*			trans	-137.7	91	153.7	-80.9	0	0	0	0	109.6
187	T	27.6	Very low	27.8	Very low	122 Å²	122	154 Å²	154	75%	0.748	80%	0.797	S	S	*	*			trans	27.8	127.8	132.7	59.6	0	0	0	0	117.7
188	E	33	Very low	27.9	Very low	183 Å²	183	155.8 Å²	155.8	86%	0.855	80%	0.8	S	S	*	*			cis	-147.4	-179.6	37.4	-70.3	-174.6	125.2	0	0	114.3
189	N	26.6	Very low	28	Very low	144 Å²	144	156.4 Å²	156.4	77%	0.77	80%	0.802	S	S	*	*			trans	-61.4	165.3	-177	-48.2	-34.8	0	0	0	112.6
190	D	31.6	Very low	28	Very low	140 Å²	140	156.3 Å²	156.3	75%	0.749	80%	0.804	S	S	*	*			cis	-149.1	152.7	40.8	-114.9	-49.7	0	0	0	118.2
191	T	27.6	Very low	28	Very low	108 Å²	108	156.1 Å²	156.1	66%	0.663	80%	0.798	S	S	*	*			trans	-3.1	139.6	169.3	54.3	0	0	0	0	124.3
192	N	27.2	Very low	28.1	Very low	136 Å²	136	157.7 Å²	157.7	73%	0.727	80%	0.803	S	S	*	*			trans	114.9	135.4	136.1	-69.3	-35.6	0	0	0	121.9
193	H	29.4	Very low	28.3	Very low	159 Å²	159	158.3 Å²	158.3	74%	0.736	81%	0.805	S	S	*	*			trans	68.5	95.9	164.9	-60.7	-41	0	0	0	121
194	H	28	Very low	28.6	Very low	169 Å²	169	157.3 Å²	157.3	78%	0.782	80%	0.799	S	S	*	*				33.9	105.7	129.1	-64.3	-48.7	0	0	0	118.8
195	H	30.8	Very low	29	Very low	191 Å²	191	157.5 Å²	157.5	88%	0.884	80%	0.796	S	S	*	*				-160.6	138.2	96.8	-101.2	46.6	0	0	0	110.3
196	Q	25.1	Very low	30	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.813	77%	0.771	S	S	*	*			trans	-92.6	170.3	171.7	-73.3	174	-46.2	0	0	110.2
197	H	27.9	Very low	30.9	Very low	172 Å²	172	152.1 Å²	152.1	80%	0.796	76%	0.759	S	S	*	*			trans	74.1	81.6	-178.7	-51.7	-87.5	0	0	0	117
198	H	27.6	Very low	31.9	Very low	194 Å²	194	149.4 Å²	149.4	90%	0.898	74%	0.737	S	S	*	*			trans	-173.3	89.1	142.7	-96.4	-62.3	0	0	0	110.3
199	H	27	Very low	32.5	Very low	192 Å²	192	142.8 Å²	142.8	89%	0.889	71%	0.706	S	S	*	*			trans	-149.2	31.3	-174.6	-120.9	-79.5	0	0	0	116.3
200	H	26.1	Very low	33.9	Very low	183 Å²	183	140.3 Å²	140.3	85%	0.847	69%	0.69	S	S	*	*	S	Bend	trans	-140	9.3	-173.4	-131.9	-74.3	0	0	0	117.8
201	H	25.7	Very low	35.1	Very low	145 Å²	145	134.3 Å²	134.3	67%	0.671	66%	0.657	S	S	*	*			trans	-139.2	66.9	-178.1	-95.1	-43.9	0	0	0	113.7
202	V	27.3	Very low	36.4	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	64%	0.641	S	S	*	*			trans	-140.2	78.4	167	-166.4	0	0	0	0	111.9
203	I	31.8	Very low	37.8	Very low	168 Å²	168	132.9 Å²	132.9	86%	0.862	64%	0.636	S	S	*	*			trans	-128.3	49.8	153.7	-44.9	-178.4	0	0	0	108.6
204	N	33	Very low	39.4	Very low	141 Å²	141	128 Å²	128	75%	0.754	62%	0.615	S	S	*	*			trans	-72.2	170.6	167	-80.1	-23.4	0	0	0	110.4	L206	N204-L206 PolarHBondContact O-N 2.89Å; N204-L206 VanDerWaalsContact O-N 3.07Å
205	Q	40	Very low	41.3	Very low	174 Å²	174	123.9 Å²	123.9	81%	0.813	60%	0.604	S	S	*	*			trans	-59.8	112.6	-170.5	-56.9	-179.9	18.8	0	0	111.5	N207	Q205-N207 PolarHBondContact O-N 3.5Å
206	L	47.3	Very low	42.5	Very low	66 Å²	66	119.5 Å²	119.5	35%	0.346	59%	0.59	S	S	.	*			trans	-60.6	121.9	166.4	-83.8	168.3	0	0	0	108.7	N204 E210 L214 Y222	N204-L206 PolarHBondContact O-N 2.89Å; N204-L206 VanDerWaalsContact O-N 3.07Å; L206-E210 HydrophobicContact CD2-CB 3.84Å; L206-L214 HydrophobicContact CD1-CD1 3.98Å; L206-Y222 HydrophobicContact CD1-CD2 3.99Å; L206-Y222 HydrophobicContact CD1-CE2 3.86Å
207	N	49.1	Very low	44.4	Very low	101 Å²	101	113.4 Å²	113.4	54%	0.54	57%	0.574	S	S	.	*			trans	-64.8	153.6	175.4	-68.8	-70.4	0	0	0	110.1	Q205 E209 E210 F211	Q205-N207 PolarHBondContact O-N 3.5Å; N207-E209 PolarHBondContact O-N 2.94Å; N207-E210 HydrophobicContact CB-CG 4.34Å; N207-E210 WeakPolarHBondContact CB-OE2 3.44Å; N207-E210 PolarHBondContact N-OE2 3.29Å; N207-E210 PolarHBondContact ND2-OE2 3.09Å; N207-E210 PolarHBondContact O-N 2.99Å; N207-E210 VanDerWaalsContact O-N 3.1Å; N207-F211 PolarHBondContact O-N 2.67Å
208	K	48.9	Very low	46.3	Very low	66 Å²	66	111.6 Å²	111.6	29%	0.287	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.1	-19.8	-179	-71.8	-170.5	173.1	-170.5	0	113.5	S212 I893	K208-S212 PolarHBondContact O-N 3.09Å; K208-I893 WeakPolarHBondContact CE-O 3.38Å; K208-I893 PolarHBondContact NZ-O 2.77Å
209	E	45.2	Very low	48.1	Very low	44 Å²	44	104.7 Å²	104.7	21%	0.206	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-42.2	-179	-45.4	-166.9	113.3	0	0	112.2	N207 F211 S212 R213 I556 G557	N207-E209 PolarHBondContact O-N 2.94Å; E209-F211 VanDerWaalsContact C-N 3.26Å; E209-F211 PolarHBondContact O-N 3.32Å; E209-S212 PolarHBondContact O-N 2.74Å; E209-S212 PolarHBondContact O-OG 2.86Å; E209-R213 WeakPolarHBondContact O-CG 3.37Å; E209-R213 PolarHBondContact O-N 3.37Å; E209-I556 WeakPolarHBondContact OE1-CB 3.37Å; E209-I556 VanDerWaalsContact OE1-CG2 3.3Å; E209-I556 WeakPolarHBondContact OE1-CG2 3.36Å; E209-I556 WeakPolarHBondContact OE2-CG2 3.49Å; E209-G557 WeakPolarHBondContact OE1-CA 3.41Å; E209-G557 PolarHBondContact OE1-N 3.12Å
210	E	56	Low	50	Low	91 Å²	91	99.6 Å²	99.6	43%	0.425	50%	0.503	S	S	.	.	H	α-helix	trans	-62	-40.6	170.1	-61.3	172.5	120	0	0	109.9	L206 N207 S212 R213 L214	L206-E210 HydrophobicContact CD2-CB 3.84Å; N207-E210 HydrophobicContact CB-CG 4.34Å; N207-E210 WeakPolarHBondContact CB-OE2 3.44Å; N207-E210 PolarHBondContact N-OE2 3.29Å; N207-E210 PolarHBondContact ND2-OE2 3.09Å; N207-E210 PolarHBondContact O-N 2.99Å; N207-E210 VanDerWaalsContact O-N 3.1Å; E210-S212 VanDerWaalsContact C-N 3.28Å; E210-S212 PolarHBondContact O-N 3.29Å; E210-R213 PolarHBondContact O-N 3.44Å; E210-L214 PolarHBondContact O-N 3.16Å
211	F	56.2	Low	51.9	Low	15 Å²	15	95.9 Å²	95.9	7%	0.066	49%	0.49	C	S	.	.	H	α-helix	trans	-61.2	-32	172	-177.4	-101	0	0	0	113.4	N207 E209 R219 Y222 I223	N207-F211 PolarHBondContact O-N 2.67Å; E209-F211 VanDerWaalsContact C-N 3.26Å; E209-F211 PolarHBondContact O-N 3.32Å; F211-R219 HydrophobicContact CD2-CG 4.26Å; F211-R219 HydrophobicContact CE1-CB 4.43Å; F211-R219 HydrophobicContact CE1-CG 4.37Å; F211-R219 HydrophobicContact CE2-CB 3.77Å; F211-R219 HydrophobicContact CE2-CG 3.85Å; F211-R219 HydrophobicContact CZ-CB 3.63Å; F211-R219 HydrophobicContact CZ-CG 3.9Å; F211-R219 WeakPolarHBondContact O-CD 3.2Å; F211-R219 VanDerWaalsContact O-CG 3.24Å; F211-R219 WeakPolarHBondContact O-CG 3.01Å; F211-R219 PolarHBondContact O-NE 2.8Å; F211-Y222 AromaticContact CD2-CD1 3.66Å; F211-Y222 HydrophobicContact CD2-CD1 3.66Å; F211-Y222 HydrophobicContact CD2-CE1 4.12Å; F211-Y222 HydrophobicContact CD2-CG 4.33Å; F211-Y222 AromaticContact CE2-CD1 3.54Å; F211-Y222 HydrophobicContact CE2-CD1 3.54Å; F211-Y222 HydrophobicContact CE2-CE1 4.35Å; F211-Y222 HydrophobicContact CE2-CG 4.2Å; F211-I223 HydrophobicContact CE1-CD1 4.33Å; F211-I223 HydrophobicContact CE2-CG1 4.25Å; F211-I223 HydrophobicContact CZ-CD1 3.65Å; F211-I223 HydrophobicContact CZ-CG1 3.76Å
212	S	55.7	Low	54	Low	45 Å²	45	91.3 Å²	91.3	32%	0.315	47%	0.467	S	S	.	.	H	α-helix	trans	-74.4	-34.1	179	80.6	0	0	0	0	112.3	K208 E209 E210 R219	K208-S212 PolarHBondContact O-N 3.09Å; E209-S212 PolarHBondContact O-N 2.74Å; E209-S212 PolarHBondContact O-OG 2.86Å; E210-S212 VanDerWaalsContact C-N 3.28Å; E210-S212 PolarHBondContact O-N 3.29Å; S212-R219 PolarHBondContact O-NH1 3.31Å
213	R	56.5	Low	55.9	Low	168 Å²	168	85.6 Å²	85.6	63%	0.634	43%	0.432	S	S	*	.	H	α-helix	trans	-72.2	-22.7	178.4	-65.5	173.3	-177.9	-164.2	3.3	114.5	E209 E210 D560	E209-R213 WeakPolarHBondContact O-CG 3.37Å; E209-R213 PolarHBondContact O-N 3.37Å; E210-R213 PolarHBondContact O-N 3.44Å; R213-D560 IonicContact CZ-OD2 2.64Å; R213-D560 IonicContact NE-OD2 3.08Å; R213-D560 IonicContact NH2-OD1 3.89Å; R213-D560 PolarHBondContact NH2-OD1 3.47Å; R213-D560 VanDerWaalsContact NH2-OD1 3.08Å; R213-D560 IonicContact NH2-OD2 3.94Å; R213-D560 PolarHBondContact NH2-OD2 3.27Å
214	L	62	Low	57.7	Low	56 Å²	56	84.7 Å²	84.7	29%	0.293	42%	0.422	S	S	.	.	S	Bend	trans	-66.2	147.1	-179	-77.8	172.2	0	0	0	112.6	L206 E210 F218 R219	L206-L214 HydrophobicContact CD1-CD1 3.98Å; E210-L214 PolarHBondContact O-N 3.16Å; L214-F218 HydrophobicContact CB-CB 4.35Å; L214-R219 HydrophobicContact CB-CG 3.75Å; L214-R219 WeakPolarHBondContact O-CD 3.14Å
215	P	67.4	Low	59.6	Low	83 Å²	83	81.6 Å²	81.6	54%	0.539	41%	0.408	S	S	.	.			trans	-57.4	147.1	173.2	-22.8	32.6	0	0	0	112	G217 F218 R219	P215-G217 VanDerWaalsContact C-N 3.25Å; P215-G217 PolarHBondContact O-N 2.73Å; P215-G217 VanDerWaalsContact O-N 3.1Å; P215-F218 HydrophobicContact CB-CD2 4.21Å; P215-F218 HydrophobicContact CG-CD2 4.16Å; P215-F218 WeakPolarHBondContact O-CB 3.17Å; P215-F218 PolarHBondContact O-N 3.09Å; P215-R219 PolarHBondContact O-N 2.93Å
216	V	57.7	Low	61	Low	100 Å²	100	77.1 Å²	77.1	61%	0.606	39%	0.386	S	S	*	.	H	α-helix	trans	-52.3	-40.9	-172.6	-179.6	0	0	0	0	112.6	R219 W220	V216-R219 WeakPolarHBondContact O-CB 3.4Å; V216-R219 PolarHBondContact O-N 3.31Å; V216-W220 PolarHBondContact O-N 2.92Å
217	G	64.1	Low	61.9	Low	45 Å²	45	75.9 Å²	75.9	46%	0.464	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-40	176	0	0	0	0	0	114.5	P215 W220 N221	P215-G217 VanDerWaalsContact C-N 3.25Å; P215-G217 PolarHBondContact O-N 2.73Å; P215-G217 VanDerWaalsContact O-N 3.1Å; G217-W220 PolarHBondContact O-N 3.39Å; G217-N221 PolarHBondContact O-N 3.19Å
218	F	67	Low	62.8	Low	135 Å²	135	73 Å²	73	59%	0.592	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-38.6	174.7	-82.5	-87.8	0	0	0	111.5	L214 P215 W220 N221 Y222	L214-F218 HydrophobicContact CB-CB 4.35Å; P215-F218 HydrophobicContact CB-CD2 4.21Å; P215-F218 HydrophobicContact CG-CD2 4.16Å; P215-F218 WeakPolarHBondContact O-CB 3.17Å; P215-F218 PolarHBondContact O-N 3.09Å; F218-W220 VanDerWaalsContact C-N 3.31Å; F218-W220 PolarHBondContact O-N 3.35Å; F218-N221 PolarHBondContact O-N 2.88Å; F218-Y222 PolarHBondContact O-N 3.12Å
219	R	66.9	Low	63.8	Low	48 Å²	48	73.7 Å²	73.7	18%	0.181	37%	0.373	C	S	.	.	H	α-helix	trans	-60.5	-40.7	174.3	-69.3	175.2	61	176.8	-10	111.8	F211 S212 L214 P215 V216 I223	F211-R219 HydrophobicContact CD2-CG 4.26Å; F211-R219 HydrophobicContact CE1-CB 4.43Å; F211-R219 HydrophobicContact CE1-CG 4.37Å; F211-R219 HydrophobicContact CE2-CB 3.77Å; F211-R219 HydrophobicContact CE2-CG 3.85Å; F211-R219 HydrophobicContact CZ-CB 3.63Å; F211-R219 HydrophobicContact CZ-CG 3.9Å; F211-R219 WeakPolarHBondContact O-CD 3.2Å; F211-R219 VanDerWaalsContact O-CG 3.24Å; F211-R219 WeakPolarHBondContact O-CG 3.01Å; F211-R219 PolarHBondContact O-NE 2.8Å; S212-R219 PolarHBondContact O-NH1 3.31Å; L214-R219 HydrophobicContact CB-CG 3.75Å; L214-R219 WeakPolarHBondContact O-CD 3.14Å; P215-R219 PolarHBondContact O-N 2.93Å; V216-R219 WeakPolarHBondContact O-CB 3.4Å; V216-R219 PolarHBondContact O-N 3.31Å; R219-I223 WeakPolarHBondContact O-CG1 3.39Å; R219-I223 PolarHBondContact O-N 3.01Å; R219-I223 VanDerWaalsContact O-N 3.08Å
220	W	65.2	Low	65	Low	85 Å²	85	73.6 Å²	73.6	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-44.6	174.5	-74.7	114.4	0	0	0	113.6	V216 G217 F218 Y222 I223 F224 L903 P904	V216-W220 PolarHBondContact O-N 2.92Å; G217-W220 PolarHBondContact O-N 3.39Å; F218-W220 VanDerWaalsContact C-N 3.31Å; F218-W220 PolarHBondContact O-N 3.35Å; W220-Y222 VanDerWaalsContact C-N 3.32Å; W220-Y222 PolarHBondContact O-N 3.21Å; W220-I223 HydrophobicContact CE3-CD1 4.49Å; W220-I223 HydrophobicContact CH2-CD1 4.38Å; W220-I223 HydrophobicContact CZ3-CD1 4.12Å; W220-I223 HydrophobicContact CZ3-CG2 4.33Å; W220-I223 PolarHBondContact O-N 3.24Å; W220-F224 VanDerWaalsContact O-CB 3.24Å; W220-F224 WeakPolarHBondContact O-CB 3.45Å; W220-F224 PolarHBondContact O-N 3.21Å; W220-L903 HydrophobicContact CH2-CB 4.42Å; W220-L903 HydrophobicContact CH2-CD2 3.62Å; W220-L903 HydrophobicContact CZ2-CD2 4.07Å; W220-P904 VanDerWaalsContact CH2-CD 3.46Å; W220-P904 HydrophobicContact CH2-CG 4.14Å; W220-P904 HydrophobicContact CZ2-CG 3.77Å
221	N	67.7	Low	65.6	Low	106 Å²	106	73.5 Å²	73.5	57%	0.567	37%	0.37	S	S	*	.	H	α-helix	trans	-60.5	-42	176.5	-72.8	-12.5	0	0	0	111.6	G217 F218 F224 V225	G217-N221 PolarHBondContact O-N 3.19Å; F218-N221 PolarHBondContact O-N 2.88Å; N221-F224 PolarHBondContact O-N 3.43Å; N221-V225 WeakPolarHBondContact O-CB 3.45Å; N221-V225 VanDerWaalsContact O-CG2 3.29Å; N221-V225 WeakPolarHBondContact O-CG2 3.42Å; N221-V225 PolarHBondContact O-N 3.42Å
222	Y	68.2	Low	66.2	Low	49 Å²	49	78 Å²	78	19%	0.192	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-48.5	176.5	-178.8	-98.3	0	0	0	112.7	L206 F211 F218 W220 F224 V225 K226	L206-Y222 HydrophobicContact CD1-CD2 3.99Å; L206-Y222 HydrophobicContact CD1-CE2 3.86Å; F211-Y222 AromaticContact CD2-CD1 3.66Å; F211-Y222 HydrophobicContact CD2-CD1 3.66Å; F211-Y222 HydrophobicContact CD2-CE1 4.12Å; F211-Y222 HydrophobicContact CD2-CG 4.33Å; F211-Y222 AromaticContact CE2-CD1 3.54Å; F211-Y222 HydrophobicContact CE2-CD1 3.54Å; F211-Y222 HydrophobicContact CE2-CE1 4.35Å; F211-Y222 HydrophobicContact CE2-CG 4.2Å; F218-Y222 PolarHBondContact O-N 3.12Å; W220-Y222 VanDerWaalsContact C-N 3.32Å; W220-Y222 PolarHBondContact O-N 3.21Å; Y222-F224 VanDerWaalsContact C-N 3.33Å; Y222-F224 PolarHBondContact O-N 3.07Å; Y222-V225 PolarHBondContact O-N 3.26Å; Y222-K226 HydrophobicContact CD1-CG 4.34Å; Y222-K226 HydrophobicContact CE1-CG 4.09Å; Y222-K226 HydrophobicContact CE2-CG 4.44Å; Y222-K226 WeakPolarHBondContact O-CG 3.46Å; Y222-K226 PolarHBondContact O-N 3.14Å; Y222-K226 WeakPolarHBondContact OH-CE 3.5Å
223	I	67.8	Low	66.7	Low	12 Å²	12	84.2 Å²	84.2	6%	0.062	41%	0.408	C	S	.	.	H	α-helix	trans	-58.9	-45.6	175.3	-72.3	173	0	0	0	110.6	F211 R219 W220 V225 K226 L227 V895	F211-I223 HydrophobicContact CE1-CD1 4.33Å; F211-I223 HydrophobicContact CE2-CG1 4.25Å; F211-I223 HydrophobicContact CZ-CD1 3.65Å; F211-I223 HydrophobicContact CZ-CG1 3.76Å; R219-I223 WeakPolarHBondContact O-CG1 3.39Å; R219-I223 PolarHBondContact O-N 3.01Å; R219-I223 VanDerWaalsContact O-N 3.08Å; W220-I223 HydrophobicContact CE3-CD1 4.49Å; W220-I223 HydrophobicContact CH2-CD1 4.38Å; W220-I223 HydrophobicContact CZ3-CD1 4.12Å; W220-I223 HydrophobicContact CZ3-CG2 4.33Å; W220-I223 PolarHBondContact O-N 3.24Å; I223-V225 PolarHBondContact O-N 3.1Å; I223-K226 PolarHBondContact O-N 3.02Å; I223-L227 HydrophobicContact CG2-CD1 3.71Å; I223-L227 HydrophobicContact CG2-CG 4.24Å; I223-L227 WeakPolarHBondContact O-CB 3.46Å; I223-L227 WeakPolarHBondContact O-CG 3.46Å; I223-L227 PolarHBondContact O-N 2.86Å; I223-V895 HydrophobicContact CD1-CG2 4.28Å
224	F	69.6	Low	67	Low	148 Å²	148	79.4 Å²	79.4	65%	0.649	39%	0.393	S	S	*	.	H	α-helix	trans	-64.2	-40.9	-178.4	-172.2	-93.6	0	0	0	112.3	W220 N221 Y222 S228	W220-F224 VanDerWaalsContact O-CB 3.24Å; W220-F224 WeakPolarHBondContact O-CB 3.45Å; W220-F224 PolarHBondContact O-N 3.21Å; N221-F224 PolarHBondContact O-N 3.43Å; Y222-F224 VanDerWaalsContact C-N 3.33Å; Y222-F224 PolarHBondContact O-N 3.07Å; F224-S228 WeakPolarHBondContact O-CB 3.45Å; F224-S228 PolarHBondContact O-N 3.29Å
225	V	72.2	Confident	66.8	Low	76 Å²	76	81.9 Å²	81.9	46%	0.461	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-43.8	174.4	169.3	0	0	0	0	111.4	N221 Y222 I223 S228 N229	N221-V225 WeakPolarHBondContact O-CB 3.45Å; N221-V225 VanDerWaalsContact O-CG2 3.29Å; N221-V225 WeakPolarHBondContact O-CG2 3.42Å; N221-V225 PolarHBondContact O-N 3.42Å; Y222-V225 PolarHBondContact O-N 3.26Å; I223-V225 PolarHBondContact O-N 3.1Å; V225-S228 PolarHBondContact O-N 2.9Å; V225-N229 WeakPolarHBondContact O-CB 3.16Å; V225-N229 PolarHBondContact O-N 3.17Å; V225-N229 PolarHBondContact O-OD1 3.35Å
226	K	69.3	Low	66.6	Low	81 Å²	81	82 Å²	82	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-61.2	-48.6	176.5	-70.6	-69	-175.2	176.9	0	111.7	Y222 I223 N229 W230	Y222-K226 HydrophobicContact CD1-CG 4.34Å; Y222-K226 HydrophobicContact CE1-CG 4.09Å; Y222-K226 HydrophobicContact CE2-CG 4.44Å; Y222-K226 WeakPolarHBondContact O-CG 3.46Å; Y222-K226 PolarHBondContact O-N 3.14Å; Y222-K226 WeakPolarHBondContact OH-CE 3.5Å; I223-K226 PolarHBondContact O-N 3.02Å; K226-N229 PolarHBondContact O-N 3.45Å; K226-W230 WeakPolarHBondContact O-CB 3.25Å; K226-W230 PolarHBondContact O-N 3.02Å
227	L	67.1	Low	66.5	Low	39 Å²	39	79.7 Å²	79.7	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-43.5	175.9	-70.6	174.6	0	0	0	111.8	I223 N229 W230 F231 E890 L891	I223-L227 HydrophobicContact CG2-CD1 3.71Å; I223-L227 HydrophobicContact CG2-CG 4.24Å; I223-L227 WeakPolarHBondContact O-CB 3.46Å; I223-L227 WeakPolarHBondContact O-CG 3.46Å; I223-L227 PolarHBondContact O-N 2.86Å; L227-N229 PolarHBondContact O-N 3.49Å; L227-W230 WeakPolarHBondContact O-CB 3.39Å; L227-W230 PolarHBondContact O-N 3.27Å; L227-F231 WeakPolarHBondContact O-CB 3.23Å; L227-F231 VanDerWaalsContact O-CD2 3.28Å; L227-F231 WeakPolarHBondContact O-CD2 3.45Å; L227-F231 PolarHBondContact O-N 2.89Å; L227-E890 HydrophobicContact CD2-CB 4.34Å; L227-E890 HydrophobicContact CD2-CG 3.86Å; L227-L891 HydrophobicContact CD1-CD2 4.45Å
228	S	68.3	Low	65.4	Low	40 Å²	40	81.8 Å²	81.8	28%	0.28	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-46.3	176.6	-176	0	0	0	0	111.7	F224 V225 W230 F231 Q232	F224-S228 WeakPolarHBondContact O-CB 3.45Å; F224-S228 PolarHBondContact O-N 3.29Å; V225-S228 PolarHBondContact O-N 2.9Å; S228-W230 VanDerWaalsContact C-N 3.35Å; S228-W230 PolarHBondContact O-N 2.93Å; S228-F231 PolarHBondContact O-N 3.06Å; S228-Q232 WeakPolarHBondContact O-CB 3.44Å; S228-Q232 VanDerWaalsContact O-CG 3.25Å; S228-Q232 WeakPolarHBondContact O-CG 3.47Å; S228-Q232 PolarHBondContact O-N 3.18Å; S228-Q232 PolarHBondContact O-NE2 2.81Å; S228-Q232 PolarHBondContact OG-NE2 3.29Å
229	N	69.2	Low	64.2	Low	81 Å²	81	82.2 Å²	82.2	43%	0.433	39%	0.386	S	S	.	.	H	α-helix	trans	-67.7	-35.2	178.9	-66.8	0.9	0	0	0	112	V225 K226 L227 R233	V225-N229 WeakPolarHBondContact O-CB 3.16Å; V225-N229 PolarHBondContact O-N 3.17Å; V225-N229 PolarHBondContact O-OD1 3.35Å; K226-N229 PolarHBondContact O-N 3.45Å; L227-N229 PolarHBondContact O-N 3.49Å; N229-R233 WeakPolarHBondContact O-CG 3.25Å; N229-R233 PolarHBondContact O-N 2.84Å
230	W	71.8	Confident	62.9	Low	43 Å²	43	83.5 Å²	83.5	16%	0.163	40%	0.402	C	S	.	.	H	α-helix	trans	-64.3	-47.9	171.8	-178.5	101.9	0	0	0	111.6	K226 L227 S228 Q232 R233 I234 L883 L886 E890	K226-W230 WeakPolarHBondContact O-CB 3.25Å; K226-W230 PolarHBondContact O-N 3.02Å; L227-W230 WeakPolarHBondContact O-CB 3.39Å; L227-W230 PolarHBondContact O-N 3.27Å; S228-W230 VanDerWaalsContact C-N 3.35Å; S228-W230 PolarHBondContact O-N 2.93Å; W230-Q232 VanDerWaalsContact C-N 3.32Å; W230-Q232 PolarHBondContact O-N 3.29Å; W230-R233 WeakPolarHBondContact O-CB 3.28Å; W230-R233 PolarHBondContact O-N 2.96Å; W230-R233 VanDerWaalsContact O-N 3.14Å; W230-I234 HydrophobicContact CD2-CG1 4.08Å; W230-I234 HydrophobicContact CE3-CG1 4.14Å; W230-I234 HydrophobicContact CH2-CG1 4.12Å; W230-I234 HydrophobicContact CZ2-CD1 4.4Å; W230-I234 HydrophobicContact CZ2-CG1 4.08Å; W230-I234 HydrophobicContact CZ3-CG1 4.16Å; W230-I234 WeakPolarHBondContact O-CG1 3.46Å; W230-I234 PolarHBondContact O-N 2.91Å; W230-L883 HydrophobicContact CH2-CD1 4.24Å; W230-L883 HydrophobicContact CZ3-CD1 4.18Å; W230-L886 HydrophobicContact CH2-CB 3.87Å; W230-L886 HydrophobicContact CZ2-CB 4.16Å; W230-E890 VanDerWaalsContact CD1-OE2 3.25Å; W230-E890 HydrophobicContact CD2-CG 4.49Å; W230-E890 HydrophobicContact CG-CG 4.25Å; W230-E890 PolarHBondContact NE1-OE2 3.2Å
231	F	68.2	Low	61.6	Low	88 Å²	88	87.5 Å²	87.5	39%	0.386	42%	0.417	S	S	.	.	H	α-helix	trans	-59.6	-41.5	175.6	-92.9	-71.9	0	0	0	112	L227 S228 I234 H235 L883	L227-F231 WeakPolarHBondContact O-CB 3.23Å; L227-F231 VanDerWaalsContact O-CD2 3.28Å; L227-F231 WeakPolarHBondContact O-CD2 3.45Å; L227-F231 PolarHBondContact O-N 2.89Å; S228-F231 PolarHBondContact O-N 3.06Å; F231-I234 PolarHBondContact O-N 3.49Å; F231-H235 VanDerWaalsContact O-CB 3.28Å; F231-H235 WeakPolarHBondContact O-CB 3.38Å; F231-H235 PolarHBondContact O-N 3.09Å; F231-L883 HydrophobicContact CE1-CD1 3.72Å; F231-L883 HydrophobicContact CE1-CD2 3.96Å; F231-L883 HydrophobicContact CE1-CG 4.34Å; F231-L883 HydrophobicContact CZ-CD1 3.96Å; F231-L883 HydrophobicContact CZ-CD2 4.23Å; F231-L883 HydrophobicContact CZ-CG 4.39Å
232	Q	67.9	Low	60.3	Low	110 Å²	110	87.4 Å²	87.4	51%	0.514	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-43	174.7	-72.2	171.3	50.8	0	0	111.7	S228 W230 H235 T236	S228-Q232 WeakPolarHBondContact O-CB 3.44Å; S228-Q232 VanDerWaalsContact O-CG 3.25Å; S228-Q232 WeakPolarHBondContact O-CG 3.47Å; S228-Q232 PolarHBondContact O-N 3.18Å; S228-Q232 PolarHBondContact O-NE2 2.81Å; S228-Q232 PolarHBondContact OG-NE2 3.29Å; W230-Q232 VanDerWaalsContact C-N 3.32Å; W230-Q232 PolarHBondContact O-N 3.29Å; Q232-H235 PolarHBondContact O-N 3.24Å; Q232-T236 WeakPolarHBondContact O-CG2 3.21Å; Q232-T236 PolarHBondContact O-N 2.91Å; Q232-T236 PolarHBondContact O-OG1 3.38Å; Q232-T236 VanDerWaalsContact O-OG1 3.14Å
233	R	66.3	Low	58.8	Low	176 Å²	176	88.9 Å²	88.9	66%	0.664	44%	0.438	S	S	*	.	H	α-helix	trans	-61.7	-44.9	174.6	-79	176.4	166.8	-165.2	-5.5	112.8	N229 W230 H235 T236 I237	N229-R233 WeakPolarHBondContact O-CG 3.25Å; N229-R233 PolarHBondContact O-N 2.84Å; W230-R233 WeakPolarHBondContact O-CB 3.28Å; W230-R233 PolarHBondContact O-N 2.96Å; W230-R233 VanDerWaalsContact O-N 3.14Å; R233-H235 VanDerWaalsContact C-N 3.32Å; R233-H235 PolarHBondContact O-N 2.79Å; R233-T236 PolarHBondContact O-N 3.31Å; R233-T236 PolarHBondContact O-OG1 3.39Å; R233-T236 VanDerWaalsContact O-OG1 3.1Å; R233-I237 WeakPolarHBondContact O-CB 3.28Å; R233-I237 WeakPolarHBondContact O-CD1 3.44Å; R233-I237 VanDerWaalsContact O-CG1 3.23Å; R233-I237 WeakPolarHBondContact O-CG1 3.27Å; R233-I237 PolarHBondContact O-N 3.14Å
234	I	62.5	Low	57.4	Low	66 Å²	66	92.1 Å²	92.1	34%	0.338	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-40.8	175.4	-63.7	-61.8	0	0	0	110.7	W230 F231 N238	W230-I234 HydrophobicContact CD2-CG1 4.08Å; W230-I234 HydrophobicContact CE3-CG1 4.14Å; W230-I234 HydrophobicContact CH2-CG1 4.12Å; W230-I234 HydrophobicContact CZ2-CD1 4.4Å; W230-I234 HydrophobicContact CZ2-CG1 4.08Å; W230-I234 HydrophobicContact CZ3-CG1 4.16Å; W230-I234 WeakPolarHBondContact O-CG1 3.46Å; W230-I234 PolarHBondContact O-N 2.91Å; F231-I234 PolarHBondContact O-N 3.49Å; I234-N238 WeakPolarHBondContact O-CB 3.35Å; I234-N238 VanDerWaalsContact O-CG 3.29Å; I234-N238 PolarHBondContact O-N 3.38Å; I234-N238 PolarHBondContact O-ND2 3.21Å
235	H	59.2	Low	55.7	Low	108 Å²	108	90.7 Å²	90.7	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-66.6	-40.4	178.2	-169.2	-81	0	0	0	112.6	F231 Q232 R233 N238 Y239	F231-H235 VanDerWaalsContact O-CB 3.28Å; F231-H235 WeakPolarHBondContact O-CB 3.38Å; F231-H235 PolarHBondContact O-N 3.09Å; Q232-H235 PolarHBondContact O-N 3.24Å; R233-H235 VanDerWaalsContact C-N 3.32Å; R233-H235 PolarHBondContact O-N 2.79Å; H235-N238 PolarHBondContact O-N 3.23Å; H235-Y239 AromaticContact CE1-CD2 3.25Å; H235-Y239 WeakPolarHBondContact CE1-CD2 3.44Å; H235-Y239 AromaticContact CE1-CE2 3.16Å; H235-Y239 WeakPolarHBondContact CE1-CE2 3.48Å; H235-Y239 AromaticContact ND1-CD2 3.61Å; H235-Y239 AromaticContact ND1-CE2 3.99Å; H235-Y239 AromaticContact NE2-CD2 3.83Å; H235-Y239 AromaticContact NE2-CE2 3.45Å; H235-Y239 WeakPolarHBondContact NE2-CE2 3.45Å; H235-Y239 WeakPolarHBondContact O-CB 3.26Å; H235-Y239 PolarHBondContact O-N 3.28Å
236	T	61.9	Low	53.8	Low	86 Å²	86	95.5 Å²	95.5	53%	0.528	48%	0.478	S	S	.	.	H	α-helix	trans	-70.3	-38.9	176.9	52.1	0	0	0	0	112.5	Q232 R233 N238 Y239 S240	Q232-T236 WeakPolarHBondContact O-CG2 3.21Å; Q232-T236 PolarHBondContact O-N 2.91Å; Q232-T236 PolarHBondContact O-OG1 3.38Å; Q232-T236 VanDerWaalsContact O-OG1 3.14Å; R233-T236 PolarHBondContact O-N 3.31Å; R233-T236 PolarHBondContact O-OG1 3.39Å; R233-T236 VanDerWaalsContact O-OG1 3.1Å; T236-N238 VanDerWaalsContact C-N 3.3Å; T236-N238 PolarHBondContact O-N 3.32Å; T236-Y239 PolarHBondContact O-N 3.4Å; T236-S240 WeakPolarHBondContact O-CB 3.39Å; T236-S240 PolarHBondContact O-N 3.47Å; T236-S240 PolarHBondContact O-OG 2.98Å; T236-S240 VanDerWaalsContact O-OG 3.09Å
237	I	56.6	Low	52	Low	52 Å²	52	97.9 Å²	97.9	27%	0.267	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-39.7	173	-70.4	166.1	0	0	0	111.3	R233 S240 R241	R233-I237 WeakPolarHBondContact O-CB 3.28Å; R233-I237 WeakPolarHBondContact O-CD1 3.44Å; R233-I237 VanDerWaalsContact O-CG1 3.23Å; R233-I237 WeakPolarHBondContact O-CG1 3.27Å; R233-I237 PolarHBondContact O-N 3.14Å; I237-S240 PolarHBondContact O-OG 2.89Å; I237-R241 WeakPolarHBondContact O-CB 3.28Å; I237-R241 PolarHBondContact O-N 3.5Å
238	N	41.3	Very low	50.1	Low	88 Å²	88	101.3 Å²	101.3	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-75.7	-33.1	178.3	-70.8	-23.2	0	0	0	112.8	I234 H235 T236 T242	I234-N238 WeakPolarHBondContact O-CB 3.35Å; I234-N238 VanDerWaalsContact O-CG 3.29Å; I234-N238 PolarHBondContact O-N 3.38Å; I234-N238 PolarHBondContact O-ND2 3.21Å; H235-N238 PolarHBondContact O-N 3.23Å; T236-N238 VanDerWaalsContact C-N 3.3Å; T236-N238 PolarHBondContact O-N 3.32Å; N238-T242 WeakPolarHBondContact O-CG2 3.45Å; N238-T242 PolarHBondContact O-N 3.42Å; N238-T242 PolarHBondContact O-OG1 3.26Å
239	Y	40.9	Very low	48.3	Very low	145 Å²	145	104.1 Å²	104.1	57%	0.569	55%	0.546	S	S	*	.	H	α-helix	trans	-73.4	-40.1	174.9	-102.7	-101.4	0	0	0	112.9	H235 T236 R241 T242 S243	H235-Y239 AromaticContact CE1-CD2 3.25Å; H235-Y239 WeakPolarHBondContact CE1-CD2 3.44Å; H235-Y239 AromaticContact CE1-CE2 3.16Å; H235-Y239 WeakPolarHBondContact CE1-CE2 3.48Å; H235-Y239 AromaticContact ND1-CD2 3.61Å; H235-Y239 AromaticContact ND1-CE2 3.99Å; H235-Y239 AromaticContact NE2-CD2 3.83Å; H235-Y239 AromaticContact NE2-CE2 3.45Å; H235-Y239 WeakPolarHBondContact NE2-CE2 3.45Å; H235-Y239 WeakPolarHBondContact O-CB 3.26Å; H235-Y239 PolarHBondContact O-N 3.28Å; T236-Y239 PolarHBondContact O-N 3.4Å; Y239-R241 VanDerWaalsContact C-N 3.3Å; Y239-R241 PolarHBondContact O-N 3.16Å; Y239-T242 WeakPolarHBondContact CA-OG1 3.41Å; Y239-T242 PolarHBondContact O-N 3.07Å; Y239-T242 VanDerWaalsContact O-N 3.09Å; Y239-T242 PolarHBondContact O-OG1 2.8Å; Y239-S243 WeakPolarHBondContact O-CB 3.18Å; Y239-S243 PolarHBondContact O-N 3.45Å; Y239-S243 VanDerWaalsContact O-N 3.09Å; Y239-S243 PolarHBondContact O-OG 2.92Å
240	S	40.3	Very low	46.5	Very low	75 Å²	75	105.9 Å²	105.9	52%	0.524	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-37.4	176.1	58.9	0	0	0	0	111.4	T236 I237 T242	T236-S240 WeakPolarHBondContact O-CB 3.39Å; T236-S240 PolarHBondContact O-N 3.47Å; T236-S240 PolarHBondContact O-OG 2.98Å; T236-S240 VanDerWaalsContact O-OG 3.09Å; I237-S240 PolarHBondContact O-OG 2.89Å; S240-T242 VanDerWaalsContact C-N 3.26Å; S240-T242 PolarHBondContact O-N 3.15Å
241	R	37.5	Very low	44.2	Very low	169 Å²	169	110.9 Å²	110.9	64%	0.638	59%	0.593	S	S	*	*	H	α-helix	trans	-69.6	-8.7	171.4	-84.4	-178	155.1	-171.7	-8	116.2	I237 Y239	I237-R241 WeakPolarHBondContact O-CB 3.28Å; I237-R241 PolarHBondContact O-N 3.5Å; Y239-R241 VanDerWaalsContact C-N 3.3Å; Y239-R241 PolarHBondContact O-N 3.16Å
242	T	40.2	Very low	42.4	Very low	104 Å²	104	112.2 Å²	112.2	64%	0.638	61%	0.61	S	S	*	*	H	α-helix	trans	-122.6	4.6	-178.6	49.9	0	0	0	0	113.6	N238 Y239 S240	N238-T242 WeakPolarHBondContact O-CG2 3.45Å; N238-T242 PolarHBondContact O-N 3.42Å; N238-T242 PolarHBondContact O-OG1 3.26Å; Y239-T242 WeakPolarHBondContact CA-OG1 3.41Å; Y239-T242 PolarHBondContact O-N 3.07Å; Y239-T242 VanDerWaalsContact O-N 3.09Å; Y239-T242 PolarHBondContact O-OG1 2.8Å; S240-T242 VanDerWaalsContact C-N 3.26Å; S240-T242 PolarHBondContact O-N 3.15Å
243	S	37.5	Very low	40.3	Very low	80 Å²	80	114 Å²	114	56%	0.559	62%	0.622	S	S	*	*	H	α-helix	trans	-118.7	-6.8	178.6	51.6	0	0	0	0	114.7	Y239	Y239-S243 WeakPolarHBondContact O-CB 3.18Å; Y239-S243 PolarHBondContact O-N 3.45Å; Y239-S243 VanDerWaalsContact O-N 3.09Å; Y239-S243 PolarHBondContact O-OG 2.92Å
244	S	36.7	Very low	38.5	Very low	80 Å²	80	114.1 Å²	114.1	56%	0.559	63%	0.63	S	S	*	*	S	Bend	trans	-72.6	-30.7	172.5	44.3	0	0	0	0	114.1	H246	S244-H246 PolarHBondContact O-N 3.14Å
245	D	35.2	Very low	36.7	Very low	118 Å²	118	118.2 Å²	118.2	63%	0.631	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	10	-156.4	-63.1	8.7	0	0	0	114.4
246	H	32.3	Very low	35.2	Very low	177 Å²	177	119 Å²	119	82%	0.819	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	28.1	-171.7	-80.8	-7.7	0	0	0	115.4	S244	S244-H246 PolarHBondContact O-N 3.14Å
247	V	30.6	Very low	33.6	Very low	131 Å²	131	124.2 Å²	124.2	79%	0.794	67%	0.67	S	S	*	*			trans	-134.2	74.1	164.6	-166.5	0	0	0	0	112
248	S	27.9	Very low	32.1	Very low	110 Å²	110	125.8 Å²	125.8	77%	0.769	69%	0.686	S	S	*	*			trans	-130.2	56.2	167.5	47.2	0	0	0	0	110.5	S250	S248-S250 PolarHBondContact O-N 3.39Å
249	S	30.8	Very low	31.5	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	70%	0.699	S	S	*	*			trans	-62.1	121.6	174.4	53.5	0	0	0	0	111	I251	S249-I251 PolarHBondContact O-N 2.98Å
250	S	30.6	Very low	30.9	Very low	117 Å²	117	126 Å²	126	82%	0.818	71%	0.706	S	S	*	*			trans	-50.6	125.1	179.5	-45.7	0	0	0	0	112.1	S248 P252	S248-S250 PolarHBondContact O-N 3.39Å; S250-P252 WeakPolarHBondContact O-CD 3.37Å
251	I	24.4	Very low	30.2	Very low	148 Å²	148	129.7 Å²	129.7	76%	0.759	72%	0.718	S	S	*	*			trans	-84.1	113	174.9	-63	169	0	0	0	109	S249	S249-I251 PolarHBondContact O-N 2.98Å
252	P	29.3	Very low	29.6	Very low	117 Å²	117	126.4 Å²	126.4	76%	0.76	72%	0.72	S	S	*	*			trans	-72.6	126.1	157.1	31.4	-31.6	0	0	0	108.4	S250 Q254	S250-P252 WeakPolarHBondContact O-CD 3.37Å; P252-Q254 PolarHBondContact O-N 2.89Å
253	I	23.6	Very low	28.8	Very low	147 Å²	147	129.1 Å²	129.1	75%	0.754	73%	0.731	S	S	*	*			trans	-69.8	116.3	-178.3	-60.3	165.4	0	0	0	109.8
254	Q	28.5	Very low	28.2	Very low	178 Å²	178	129.2 Å²	129.2	83%	0.832	73%	0.732	S	S	*	*			trans	-162.4	102.5	137.5	-111.3	166.5	37	0	0	114.1	P252	P252-Q254 PolarHBondContact O-N 2.89Å
255	H	26.3	Very low	27.7	Very low	153 Å²	153	134.5 Å²	134.5	71%	0.708	74%	0.741	S	S	*	*			trans	48.3	126.9	133.1	-86.7	-73.1	0	0	0	123.3
256	N	26.6	Very low	27.2	Very low	124 Å²	124	139.3 Å²	139.3	66%	0.663	75%	0.75	S	S	*	*			trans	86.7	108.7	137.6	-60.8	-18.7	0	0	0	120.1
257	K	28.1	Very low	26.9	Very low	195 Å²	195	141.5 Å²	141.5	85%	0.848	75%	0.753	S	S	*	*			trans	68.2	145.7	137.2	-60.9	179.4	-179.3	-176.4	0	118.2
258	S	26	Very low	26.6	Very low	86 Å²	86	142.5 Å²	142.5	60%	0.601	75%	0.749	S	S	*	*			cis	-163.2	175	-21.2	48.8	0	0	0	0	108.6
259	D	28.1	Very low	26.7	Very low	136 Å²	136	145.1 Å²	145.1	73%	0.727	75%	0.753	S	S	*	*			trans	66.9	117.9	154.7	-47.3	-44.1	0	0	0	120.6
260	S	27.7	Very low	26.5	Very low	102 Å²	102	151.2 Å²	151.2	71%	0.713	76%	0.76	S	S	*	*			trans	90.9	114.4	130.7	74.8	0	0	0	0	122.1
261	I	25.9	Very low	26.3	Very low	152 Å²	152	149.8 Å²	149.8	78%	0.779	74%	0.739	S	S	*	*				81.9	115.9	121.7	-66.4	172.3	0	0	0	120.5
262	S	25.9	Very low	26.5	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	74%	0.739	S	S	*	*			trans	60	118.3	149.5	71.5	0	0	0	0	122.5
263	N	22.8	Very low	26.5	Very low	161 Å²	161	149.6 Å²	149.6	86%	0.861	72%	0.718	S	S	*	*				22.7	120.5	127.6	-63	-12.3	0	0	0	119.3
264	S	25.2	Very low	26.8	Very low	83 Å²	83	148.3 Å²	148.3	58%	0.58	72%	0.719	S	S	*	*				176.3	-179.6	114.5	-175.2	0	0	0	0	111
265	Y	26	Very low	26.8	Very low	190 Å²	190	146.2 Å²	146.2	75%	0.745	72%	0.719	S	S	*	*			trans	69.9	106.1	168.8	-42.1	-66.5	0	0	0	115.4
266	R	24.2	Very low	26.9	Very low	219 Å²	219	150.8 Å²	150.8	83%	0.826	73%	0.73	S	S	*	*			cis	60.1	92	42.4	-168.5	-156.8	-81.3	-174.3	-5.7	113.3
267	Y	26.5	Very low	27	Very low	224 Å²	224	150.5 Å²	150.5	88%	0.878	74%	0.738	S	S	*	*			trans	-132.4	145.6	157.1	-93.1	-79.3	0	0	0	113.3
268	Q	24.9	Very low	26.9	Very low	151 Å²	151	152 Å²	152	71%	0.706	74%	0.738	S	S	*	*			trans	-118	144.3	-178.2	-55.4	170.4	-6	0	0	109.1
269	I	29.6	Very low	27.2	Very low	166 Å²	166	153.7 Å²	153.7	85%	0.851	75%	0.75	S	S	*	*			trans	-134.7	140.1	160.5	-61.2	-175	0	0	0	109.7
270	R	26.9	Very low	27.4	Very low	228 Å²	228	155.3 Å²	155.3	86%	0.86	75%	0.753	S	S	*	*			trans	-88.1	179.7	-172.8	-62.3	-173.9	-178	-170.3	2.4	112.9
271	K	25.8	Very low	27.7	Very low	87 Å²	87	156 Å²	156	38%	0.378	76%	0.755	S	S	.	*			trans	-102	176.4	176.6	-55.5	168.9	175.7	-173.9	0	110.9	K55 S56 S57	K55-K271 HydrophobicContact CB-CD 4.16Å; K55-K271 HydrophobicContact CB-CG 3.95Å; K55-K271 HydrophobicContact CD-CG 4.11Å; S56-K271 WeakPolarHBondContact O-CD 3.4Å; S56-K271 WeakPolarHBondContact O-CE 3.39Å; S56-K271 PolarHBondContact O-NZ 3.33Å; S57-K271 WeakPolarHBondContact OG-CD 3.46Å; S57-K271 PolarHBondContact OG-NZ 2.83Å
272	Y	29.2	Very low	27.9	Very low	192 Å²	192	152.8 Å²	152.8	75%	0.753	75%	0.751	S	S	*	*			trans	-152.8	154.9	163.7	-114.3	-84.7	0	0	0	110.1	S57	S57-Y272 CarbonylContact O-C 3.54Å
273	E	28.1	Very low	28.2	Very low	68 Å²	68	155.4 Å²	155.4	32%	0.318	75%	0.752	S	S	.	*			trans	-129.3	156.6	163	-89.1	176	-156.5	0	0	110.7	S56 S57 A58	S56-E273 WeakPolarHBondContact CB-OE1 3.49Å; S56-E273 PolarHBondContact OG-OE1 3.27Å; S57-E273 VanDerWaalsContact C-CG 3.45Å; S57-E273 VanDerWaalsContact C-OE1 3.24Å; S57-E273 PolarHBondContact N-OE1 2.94Å; S57-E273 WeakPolarHBondContact O-CB 3.48Å; S57-E273 WeakPolarHBondContact O-CG 3.38Å; S57-E273 PolarHBondContact O-N 3.48Å; A58-E273 WeakPolarHBondContact CA-OE2 3.35Å; A58-E273 PolarHBondContact N-OE1 3.45Å; A58-E273 PolarHBondContact N-OE2 3.32Å
274	P	30.7	Very low	28.6	Very low	120 Å²	120	154.5 Å²	154.5	78%	0.779	74%	0.74	S	S	*	*			trans	-97.1	147.8	172	36.7	-31.7	0	0	0	113.1
275	T	29.2	Very low	28.8	Very low	135 Å²	135	159.3 Å²	159.3	83%	0.828	75%	0.751	S	S	*	*			trans	-118.3	165.8	169.1	51.6	0	0	0	0	111.9
276	R	28.3	Very low	29.2	Very low	248 Å²	248	153.8 Å²	153.8	94%	0.936	75%	0.753	S	S	*	*			trans	-139.9	112.9	-163	-178.9	-167.8	-177.2	-168.2	3.7	114
277	S	28.2	Very low	29.7	Very low	118 Å²	118	152 Å²	152	83%	0.825	75%	0.75	S	S	*	*			trans	-168.9	162.3	160.9	54.9	0	0	0	0	108.4
278	R	26.9	Very low	30	Very low	227 Å²	227	147.6 Å²	147.6	86%	0.857	74%	0.741	S	S	*	*			cis	172.5	109.9	-26.9	169.4	-165.5	164	177.1	-4.1	104.7
279	S	31.6	Very low	30.4	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	75%	0.747	S	S	*	*			trans	-153.6	167.2	159.3	49.6	0	0	0	0	109.9
280	Q	32.2	Very low	30.6	Very low	171 Å²	171	145.6 Å²	145.6	80%	0.799	74%	0.735	S	S	*	*			trans	-125.3	-162.5	-168.8	-67.9	-173.4	-57.9	0	0	109.8
281	P	34	Very low	30.7	Very low	117 Å²	117	141.2 Å²	141.2	76%	0.76	73%	0.728	S	S	*	*				-127.1	178.1	-72.7	37.5	-23.7	0	0	0	111.9
282	A	30.3	Very low	30.9	Very low	83 Å²	83	143.8 Å²	143.8	69%	0.686	75%	0.745	S	S	*	*			trans	176.4	142.2	132.2	0	0	0	0	0	112.2
283	E	31	Very low	30.8	Very low	154 Å²	154	141.7 Å²	141.7	72%	0.72	74%	0.742	S	S	*	*			trans	48.7	147.1	136.3	-63.1	-161.5	146.3	0	0	122.1
284	K	32.9	Very low	30.9	Very low	142 Å²	142	144.3 Å²	144.3	62%	0.617	76%	0.758	S	S	*	*			cis	-158.4	153	8.6	-124.4	163.5	-177.8	140.6	0	111.4
285	F	29.2	Very low	30.6	Very low	184 Å²	184	144.9 Å²	144.9	81%	0.807	76%	0.755	S	S	*	*			trans	39.6	131.1	160.3	-64.9	-62.8	0	0	0	122.8
286	G	33.7	Very low	30.5	Very low	75 Å²	75	144.4 Å²	144.4	77%	0.773	75%	0.747	S	S	*	*			trans	-153.5	-19.8	174.5	0	0	0	0	0	118.5
287	K	34	Very low	30.4	Very low	180 Å²	180	140.2 Å²	140.2	78%	0.783	74%	0.738	S	S	*	*			trans	62.2	140.9	159.1	-99.2	178.3	178.8	175.8	0	121.7
288	I	32.7	Very low	30.2	Very low	132 Å²	132	141.9 Å²	141.9	68%	0.677	73%	0.731	S	S	*	*			trans	90.6	102.5	144.9	-68.7	164.2	0	0	0	119.7
289	K	33.4	Very low	30.1	Very low	191 Å²	191	140.1 Å²	140.1	83%	0.83	73%	0.73	S	S	*	*			trans	63.4	148.2	131.5	-66	-172.7	-175	-179.3	0	120.8
290	S	34.6	Very low	29.9	Very low	85 Å²	85	137.9 Å²	137.9	59%	0.594	73%	0.726	S	S	*	*			cis	-169.6	137.9	-13.8	49	0	0	0	0	114
291	N	28.8	Very low	29.6	Very low	136 Å²	136	137.1 Å²	137.1	73%	0.727	73%	0.727	S	S	*	*				73.6	126.5	128.4	-66.7	14.3	0	0	0	123.2
292	L	29.2	Very low	29.3	Very low	141 Å²	141	137.3 Å²	137.3	74%	0.738	73%	0.731	S	S	*	*				66.7	156	128.8	-86.7	79.4	0	0	0	119.7
293	H	28.1	Very low	29.1	Very low	148 Å²	148	143 Å²	143	69%	0.685	74%	0.74	S	S	*	*			cis	-166	173.4	-25.6	-135.2	29.1	0	0	0	107.9
294	N	30.1	Very low	29	Very low	122 Å²	122	142.8 Å²	142.8	65%	0.652	75%	0.75	S	S	*	*			trans	64.4	129.7	158.7	-63	-6	0	0	0	116.7
295	N	24.5	Very low	28.7	Very low	133 Å²	133	141 Å²	141	71%	0.711	74%	0.743	S	S	*	*			cis	94.5	141.8	44.1	-85.4	27	0	0	0	113.7
296	D	27.6	Very low	28.7	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	74%	0.738	S	S	*	*			trans	75.1	93	150.6	-56.4	-29.7	0	0	0	122
297	Q	25	Very low	28.3	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	72%	0.724	S	S	*	*				83.3	163.2	104.8	-133.6	173.5	33.9	0	0	120.9
298	F	24.8	Very low	27.8	Very low	153 Å²	153	137.1 Å²	137.1	67%	0.671	72%	0.721	S	S	*	*			trans	69.5	112.1	166.4	-81.3	-83.9	0	0	0	121.8
299	F	24.5	Very low	27.4	Very low	190 Å²	190	135.3 Å²	135.3	83%	0.833	72%	0.72	S	S	*	*				50.6	147.5	127.4	-82.6	-114.2	0	0	0	122.3
300	G	27.3	Very low	27.2	Very low	74 Å²	74	131.6 Å²	131.6	76%	0.763	72%	0.718	S	S	*	*			trans	158.8	94.7	163.7	0	0	0	0	0	114.1
301	D	25.1	Very low	26.8	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	73%	0.73	S	S	*	*			trans	-67.6	152	170.8	-70.4	-85.3	0	0	0	112.9
302	S	29.1	Very low	26.7	Very low	121 Å²	121	136.9 Å²	136.9	85%	0.846	73%	0.732	S	S	*	*				179.9	162.5	117.9	42.8	0	0	0	0	113.1
303	K	26.3	Very low	26.6	Very low	201 Å²	201	136.2 Å²	136.2	87%	0.874	73%	0.729	S	S	*	*			trans	-103.7	148.8	178.3	-56.1	161.6	-177.1	165.9	0	109.7
304	T	28.3	Very low	26.7	Very low	151 Å²	151	137.6 Å²	137.6	93%	0.926	73%	0.733	S	S	*	*			trans	-160.1	163.6	143.5	2.8	0	0	0	0	111.7
305	K	27.1	Very low	26.7	Very low	105 Å²	105	135.7 Å²	135.7	46%	0.457	73%	0.73	S	S	.	*			trans	-102	-177.5	-179.1	-66.2	162.6	148.7	-163.9	0	110.6	D105 S106	D105-K305 HydrophobicContact CB-CD 4.19Å; D105-K305 HydrophobicContact CB-CG 4.28Å; D105-K305 VanDerWaalsContact OD2-CE 3.25Å; D105-K305 WeakPolarHBondContact OD2-CE 3.4Å; S106-K305 WeakPolarHBondContact OG-CD 3.28Å; S106-K305 WeakPolarHBondContact OG-CE 3.23Å; S106-K305 PolarHBondContact OG-NZ 2.93Å
306	V	28	Very low	26.8	Very low	117 Å²	117	135.8 Å²	135.8	71%	0.709	73%	0.73	S	S	*	*			trans	150.6	96.9	130	165.8	0	0	0	0	111.7	G104	G104-V306 CarbonylContact O-C 3.59Å; G104-V306 PolarHBondContact O-N 3.3Å
307	Q	26.5	Very low	26.8	Very low	103 Å²	103	141.2 Å²	141.2	48%	0.481	74%	0.741	S	S	.	*				73.3	130.8	106.1	-147.7	160.3	-28.3	0	0	122.7	G104 D105	G104-Q307 PolarHBondContact O-N 3.41Å; D105-Q307 WeakPolarHBondContact O-CA 3.46Å; D105-Q307 WeakPolarHBondContact O-CB 3.31Å; D105-Q307 PolarHBondContact O-N 3.14Å
308	L	23.8	Very low	26.8	Very low	137 Å²	137	140.2 Å²	140.2	72%	0.717	74%	0.741	S	S	*	*			trans	58.1	112.3	147.5	-72.5	173.7	0	0	0	124
309	S	24.5	Very low	27	Very low	94 Å²	94	141 Å²	141	66%	0.657	75%	0.749	S	S	*	*				36.3	126.9	121.9	66.4	0	0	0	0	123.8
310	S	27.9	Very low	27.1	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	74%	0.74	S	S	*	*			trans	-156.4	129.6	130.4	-18.2	0	0	0	0	105.5
311	E	25.7	Very low	27	Very low	182 Å²	182	137.5 Å²	137.5	85%	0.85	74%	0.737	S	S	*	*				47.3	117.1	59.3	-72.3	-158.1	157.3	0	0	114.4
312	I	26.8	Very low	27.2	Very low	150 Å²	150	134.8 Å²	134.8	77%	0.769	73%	0.729	S	S	*	*			trans	178.7	116.8	134.9	-99.8	161.8	0	0	0	111.4
313	N	27.2	Very low	27.1	Very low	128 Å²	128	136 Å²	136	68%	0.684	73%	0.726	S	S	*	*			trans	62	152.9	144.9	-69.6	-29.8	0	0	0	120.3
314	K	31.4	Very low	27.2	Very low	176 Å²	176	135.9 Å²	135.9	77%	0.765	73%	0.726	S	S	*	*			cis	-160.5	165.1	8.2	-109	148	-170.3	178.7	0	106.9
315	S	28.4	Very low	27	Very low	83 Å²	83	136.8 Å²	136.8	58%	0.58	72%	0.72	S	S	*	*			cis	177.3	158.3	-22.2	55.6	0	0	0	0	110.7
316	N	27	Very low	27	Very low	134 Å²	134	141.2 Å²	141.2	72%	0.717	74%	0.735	S	S	*	*			trans	67.6	98.9	146.5	-64.2	-9.5	0	0	0	120.9
317	R	28.9	Very low	27	Very low	238 Å²	238	141 Å²	141	90%	0.898	73%	0.729	S	S	*	*				150.9	154.2	114.9	-82.3	159	-175.1	-172.9	1.8	111.1
318	N	25.2	Very low	27.1	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	74%	0.736	S	S	*	*			cis	174.8	159.4	-40.4	-106.9	22.9	0	0	0	106.4
319	M	28.3	Very low	27.2	Very low	169 Å²	169	141.5 Å²	141.5	83%	0.833	74%	0.736	S	S	*	*			trans	70.6	116.1	172.8	-66.8	-177.9	72.9	0	0	114.3
320	S	26.2	Very low	27.3	Very low	93 Å²	93	141.3 Å²	141.3	65%	0.65	73%	0.734	S	S	*	*				82.5	144.7	60.1	81.6	0	0	0	0	111.8
321	S	25.7	Very low	27.3	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	74%	0.735	S	S	*	*			cis	-168.4	-168.6	3.3	27.8	0	0	0	0	108.7
322	S	29.9	Very low	27.3	Very low	97 Å²	97	146 Å²	146	68%	0.678	74%	0.738	S	S	*	*			trans	66.7	113.2	173.3	38.7	0	0	0	0	115.2
323	D	26.4	Very low	27.3	Very low	146 Å²	146	142 Å²	142	78%	0.781	73%	0.733	S	S	*	*				74.8	109.5	57.8	-62.3	-47.5	0	0	0	112.4
324	F	27.7	Very low	27.2	Very low	200 Å²	200	143.2 Å²	143.2	88%	0.877	74%	0.74	S	S	*	*				-165.9	101.3	110.1	-106.2	-74.4	0	0	0	110.1
325	Q	24.2	Very low	26.9	Very low	169 Å²	169	139.6 Å²	139.6	79%	0.79	74%	0.737	S	S	*	*			trans	-69.4	155.7	147.6	-63	174.3	-51.4	0	0	108
326	Y	26.6	Very low	26.8	Very low	198 Å²	198	139.9 Å²	139.9	78%	0.776	74%	0.739	S	S	*	*			trans	155.8	149.5	146	-96.8	-139	0	0	0	110.3
327	I	29.1	Very low	26.7	Very low	112 Å²	112	142.2 Å²	142.2	57%	0.574	74%	0.743	S	S	*	*			cis	-159	147.3	-28.9	-144.1	177.9	0	0	0	110.9
328	N	27.1	Very low	26.6	Very low	117 Å²	117	135.7 Å²	135.7	63%	0.626	73%	0.734	S	S	*	*			trans	37.8	122.1	146.6	-71.1	-12.3	0	0	0	123.1
329	N	26.8	Very low	26.8	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	73%	0.734	S	S	*	*				84.4	118.3	117.8	-65.9	-19.9	0	0	0	123.5
330	S	27.2	Very low	27	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	73%	0.727	S	S	*	*				86.8	113.8	119.4	-73.6	0	0	0	0	122.7
331	K	26.6	Very low	27.2	Very low	183 Å²	183	131.6 Å²	131.6	80%	0.796	73%	0.733	S	S	*	*				77.4	125	125.4	-71	176.2	177.3	170.9	0	120.7
332	K	26.9	Very low	27.4	Very low	209 Å²	209	133.8 Å²	133.8	91%	0.909	74%	0.736	S	S	*	*			trans	69.5	126.5	148.4	-68.2	-177.7	172.4	-171.2	0	118.5
333	G	25.8	Very low	27.3	Very low	66 Å²	66	136.3 Å²	136.3	68%	0.68	74%	0.74	S	S	*	*			trans	133.5	117	133	0	0	0	0	0	117.1
334	N	26.4	Very low	27.5	Very low	155 Å²	155	133.9 Å²	133.9	83%	0.829	74%	0.735	S	S	*	*			trans	57.3	110.9	137	-62.7	14.1	0	0	0	121.3
335	S	25.4	Very low	27.6	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	73%	0.726	S	S	*	*				66.2	116.9	123.2	69.2	0	0	0	0	122.8
336	S	24.6	Very low	28	Very low	88 Å²	88	130.1 Å²	130.1	62%	0.615	72%	0.724	S	S	*	*				85.3	151.6	120	69.6	0	0	0	0	122.1
337	F	26.5	Very low	28	Very low	183 Å²	183	130 Å²	130	80%	0.803	73%	0.728	S	S	*	*			trans	68.2	112.7	173.4	-56.3	-72.6	0	0	0	115.2
338	S	25.2	Very low	28.3	Very low	102 Å²	102	130 Å²	130	71%	0.713	74%	0.735	S	S	*	*				71.3	145.7	60.3	87.7	0	0	0	0	112.5
339	S	30	Very low	28.4	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	74%	0.737	S	S	*	*			cis	-157.4	-161.1	10.5	58.8	0	0	0	0	107.9
340	S	32	Very low	28.6	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	74%	0.738	S	S	*	*			cis	-166	149.4	4	48.8	0	0	0	0	109.6
341	S	30.8	Very low	28.6	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	74%	0.742	S	S	*	*			trans	160.4	168.1	136.2	49.9	0	0	0	0	113.1
342	L	29.7	Very low	28.6	Very low	144 Å²	144	130.8 Å²	130.8	75%	0.754	74%	0.739	S	S	*	*			cis	-159	125.1	-48.1	-97.7	-175	0	0	0	107.8
343	I	28.3	Very low	28.6	Very low	150 Å²	150	127.2 Å²	127.2	77%	0.769	73%	0.729	S	S	*	*			trans	62	127.9	147.7	-61.5	171.9	0	0	0	117.1
344	S	30.6	Very low	28.6	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	73%	0.73	S	S	*	*			cis	-154.4	142.5	34.1	49.1	0	0	0	0	115.3
345	N	29.3	Very low	28.4	Very low	131 Å²	131	132 Å²	132	70%	0.701	73%	0.726	S	S	*	*				46.9	141.6	129.1	-57.9	31.3	0	0	0	121.2
346	E	33.1	Very low	28.4	Very low	160 Å²	160	136 Å²	136	75%	0.748	73%	0.727	S	S	*	*			cis	-153.7	140.6	-2.3	-94.1	145.4	-141.3	0	0	106.4
347	K	27	Very low	28.5	Very low	194 Å²	194	138.9 Å²	138.9	84%	0.843	73%	0.731	S	S	*	*				65	152.9	60.4	-86.3	-167.5	175.6	-175.5	0	115.8
348	P	34.4	Very low	28.3	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	72%	0.723	S	S	*	*			cis	-119.2	-170.3	-29.7	21.8	2.4	0	0	0	111.7
349	V	29.5	Very low	28.3	Very low	110 Å²	110	135.9 Å²	135.9	67%	0.667	72%	0.723	S	S	*	*				171.6	128.8	83.1	150.4	0	0	0	0	110.9
350	E	30.4	Very low	28.2	Very low	157 Å²	157	139.3 Å²	139.3	73%	0.734	73%	0.727	S	S	*	*			trans	56.2	127.1	140.2	-56.4	-172.5	168.7	0	0	122.2
351	N	27.9	Very low	27.7	Very low	132 Å²	132	138.8 Å²	138.8	71%	0.706	72%	0.723	S	S	*	*				69.8	148.2	83.8	-53.9	-26.5	0	0	0	114
352	L	26.3	Very low	27.6	Very low	142 Å²	142	139.5 Å²	139.5	74%	0.743	73%	0.725	S	S	*	*			cis	-170.6	179.4	-14.2	-111.9	166.9	0	0	0	106.8
353	L	26.7	Very low	27.4	Very low	133 Å²	133	138.8 Å²	138.8	70%	0.696	72%	0.721	S	S	*	*			trans	72	120.6	158.4	-98.2	70.8	0	0	0	120.3
354	D	26	Very low	27.4	Very low	130 Å²	130	137 Å²	137	70%	0.695	72%	0.717	S	S	*	*				60	113.3	116	-63.7	9.1	0	0	0	122.9
355	Y	23.6	Very low	27.2	Very low	192 Å²	192	139.5 Å²	139.5	75%	0.753	71%	0.713	S	S	*	*				60.3	147.5	117.7	-103.9	-74.6	0	0	0	122.7
356	Y	25	Very low	27.1	Very low	183 Å²	183	135.4 Å²	135.4	72%	0.718	69%	0.691	S	S	*	*			trans	72.2	104.8	160.4	-76.5	-68.9	0	0	0	120.7
357	H	26.1	Very low	26.7	Very low	150 Å²	150	132.5 Å²	132.5	69%	0.694	68%	0.68	S	S	*	*				65.3	106	121.6	-94.7	-108.9	0	0	0	121.9
358	T	23.2	Very low	26.6	Very low	105 Å²	105	129.4 Å²	129.4	64%	0.644	67%	0.673	S	S	*	*				70.4	147.9	125.2	58	0	0	0	0	122.5
359	T	24.5	Very low	26.3	Very low	116 Å²	116	129.4 Å²	129.4	71%	0.712	68%	0.676	S	S	*	*			trans	101.9	148.7	153.1	75.5	0	0	0	0	119.6
360	Q	27.1	Very low	26.2	Very low	181 Å²	181	129.1 Å²	129.1	85%	0.846	68%	0.678	S	S	*	*			trans	76	94.5	157.1	-72.1	161.5	19.8	0	0	119.8
361	S	23.1	Very low	25.9	Very low	84 Å²	84	127.2 Å²	127.2	59%	0.587	68%	0.678	S	S	*	*			trans	-71.9	165.6	153.4	48.1	0	0	0	0	113.5	I363	S361-I363 WeakPolarHBondContact O-CD1 3.43Å; S361-I363 WeakPolarHBondContact O-CG1 3.32Å
362	P	28.8	Very low	25.9	Very low	127 Å²	127	127.1 Å²	127.1	83%	0.825	68%	0.682	S	S	*	*			trans	-101.6	122.5	143.6	33.2	-23.6	0	0	0	109
363	I	25.6	Very low	25.8	Very low	130 Å²	130	128.9 Å²	128.9	67%	0.667	68%	0.684	S	S	*	*			cis	66.7	141.1	28.3	-33.2	176.9	0	0	0	114.5	S361	S361-I363 WeakPolarHBondContact O-CD1 3.43Å; S361-I363 WeakPolarHBondContact O-CG1 3.32Å
364	V	26.7	Very low	25.6	Very low	111 Å²	111	127.7 Å²	127.7	67%	0.673	69%	0.686	S	S	*	*			trans	79	125.5	175.8	-174.9	0	0	0	0	113.1	L510	V364-L510 WeakPolarHBondContact O-CD2 3.34Å
365	Y	26.9	Very low	25.5	Very low	149 Å²	149	127.4 Å²	127.4	58%	0.584	69%	0.688	S	S	*	*			cis	-148.9	-141.4	-1.5	-143.5	-24.7	0	0	0	109.5	L510 S511 H512	Y365-L510 CarbonylContact O-C 3.44Å; Y365-L510 WeakPolarHBondContact O-CA 3.25Å; Y365-L510 WeakPolarHBondContact O-CB 3.36Å; Y365-S511 CarbonylContact C-O 3.22Å; Y365-S511 CarbonylContact O-C 3.59Å; Y365-S511 VanDerWaalsContact O-C 3.32Å; Y365-S511 VanDerWaalsContact O-CA 3.25Å; Y365-S511 WeakPolarHBondContact O-CA 3.02Å; Y365-S511 WeakPolarHBondContact O-CB 3.4Å; Y365-S511 PolarHBondContact O-N 3.39Å; Y365-S511 PolarHBondContact O-OG 2.98Å; Y365-H512 AromaticContact CE1-CD2 3.99Å; Y365-H512 AromaticContact CE1-NE2 3.6Å
366	N	26.4	Very low	25.7	Very low	45 Å²	45	124.9 Å²	124.9	24%	0.241	69%	0.688	C	S	.	*			trans	-121.1	-177.6	165.3	-144.2	8	0	0	0	109.3	L510 S511 H512	N366-L510 VanDerWaalsContact CA-CB 3.49Å; N366-L510 WeakPolarHBondContact O-CD1 3.46Å; N366-L510 VanDerWaalsContact OD1-C 3.24Å; N366-L510 PolarHBondContact OD1-O 3.35Å; N366-L510 VanDerWaalsContact OD1-O 3.09Å; N366-S511 WeakPolarHBondContact CB-O 3.11Å; N366-S511 VanDerWaalsContact CG-C 3.42Å; N366-S511 PolarHBondContact N-O 3.26Å; N366-S511 WeakPolarHBondContact OD1-CA 3.48Å; N366-S511 PolarHBondContact OD1-N 3.05Å; N366-H512 HydrophobicContact CB-CB 3.86Å; N366-H512 WeakPolarHBondContact ND2-CB 3.41Å
367	N	26	Very low	25.7	Very low	98 Å²	98	121.8 Å²	121.8	52%	0.524	68%	0.684	S	S	.	*			cis	-168.5	152.5	17.8	-150.8	-9.7	0	0	0	115.1
368	N	25.6	Very low	25.6	Very low	130 Å²	130	122.5 Å²	122.5	70%	0.695	69%	0.693	S	S	*	*			trans	69	161.3	138.4	-89.1	-22.9	0	0	0	125.1
369	S	26.1	Very low	25.7	Very low	112 Å²	112	122.6 Å²	122.6	78%	0.783	70%	0.698	S	S	*	*			trans	76.8	141.1	153.7	70.3	0	0	0	0	118.9
370	S	27.8	Very low	25.6	Very low	104 Å²	104	122.3 Å²	122.3	73%	0.727	70%	0.699	S	S	*	*			cis	-153.3	141.4	-9.9	40.1	0	0	0	0	113.7
371	T	24.8	Very low	25.5	Very low	118 Å²	118	118.1 Å²	118.1	72%	0.724	69%	0.69	S	S	*	*			trans	-21.7	128.9	149.6	51.9	0	0	0	0	117
372	T	27.1	Very low	25.4	Very low	130 Å²	130	119.8 Å²	119.8	80%	0.798	70%	0.7	S	S	*	*				-165.6	112.6	110.3	28.5	0	0	0	0	107.4
373	K	23.8	Very low	25.1	Very low	179 Å²	179	118.2 Å²	118.2	78%	0.778	69%	0.693	S	S	*	*				73.3	117.7	74.2	-82.1	-162	171.9	-172	0	114.4
374	C	22.7	Very low	25	Very low	108 Å²	108	119.5 Å²	119.5	73%	0.73	70%	0.699	S	S	*	*			trans	60.8	124.9	142.2	-51.7	0	0	0	0	119.1
375	T	25	Very low	24.9	Very low	123 Å²	123	121.7 Å²	121.7	76%	0.755	70%	0.704	S	S	*	*				-175.6	168.4	98.8	25.4	0	0	0	0	112
376	N	27.5	Very low	24.8	Very low	139 Å²	139	118.3 Å²	118.3	74%	0.743	70%	0.702	S	S	*	*			trans	86.2	108.7	178.7	-54.3	-26.3	0	0	0	114.4
377	N	25.5	Very low	24.7	Very low	119 Å²	119	124.9 Å²	124.9	64%	0.636	73%	0.729	S	S	*	*			cis	76.9	110	37.8	-51.5	-29.6	0	0	0	114.5
378	N	24.4	Very low	24.6	Very low	164 Å²	164	125.2 Å²	125.2	88%	0.877	73%	0.73	S	S	*	*				41.3	82.7	125.1	-55.8	-0.2	0	0	0	117.8
379	S	24.4	Very low	24.5	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	73%	0.731	S	S	*	*			trans	-172.4	147.4	152.3	41.3	0	0	0	0	108.5
380	C	23.1	Very low	24.4	Very low	109 Å²	109	127.1 Å²	127.1	74%	0.736	73%	0.731	S	S	*	*			cis	-148.1	129.7	-16	-99.1	0	0	0	0	105
381	S	23.7	Very low	24.1	Very low	94 Å²	94	127.6 Å²	127.6	66%	0.657	73%	0.73	S	S	*	*				57.5	136.3	74.8	78.1	0	0	0	0	114.9
382	C	22.5	Very low	24	Very low	118 Å²	118	131.7 Å²	131.7	80%	0.797	73%	0.733	S	S	*	*			trans	80.4	144.9	172.5	-56.8	0	0	0	0	116.9
383	S	22.3	Very low	23.8	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	73%	0.727	S	S	*	*			cis	-170.5	179.7	-13.1	-93.7	0	0	0	0	110
384	I	23.2	Very low	23.7	Very low	157 Å²	157	127.8 Å²	127.8	81%	0.805	73%	0.73	S	S	*	*			trans	77.5	127.3	165	-56.2	157.4	0	0	0	113.7
385	M	24.4	Very low	23.8	Very low	157 Å²	157	128 Å²	128	77%	0.773	73%	0.732	S	S	*	*			cis	-145.7	137.4	3.7	-124.8	150.4	65.3	0	0	106.9
386	S	23.7	Very low	23.7	Very low	77 Å²	77	130.7 Å²	130.7	54%	0.538	73%	0.733	S	S	.	*				46.7	126.6	79.8	-165.9	0	0	0	0	113.1
387	F	25	Very low	23.8	Very low	183 Å²	183	134.9 Å²	134.9	80%	0.803	74%	0.74	S	S	*	*			cis	-128.1	136.1	34.4	-91.2	-108.3	0	0	0	111.1
388	N	24.5	Very low	23.8	Very low	105 Å²	105	134 Å²	134	56%	0.561	74%	0.736	S	S	*	*				87.6	124.1	71.9	-85.8	66.5	0	0	0	115.6
389	D	22.5	Very low	23.8	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	73%	0.726	S	S	*	*			trans	68.4	154.7	143.3	-54.2	-39.2	0	0	0	122.3
390	L	24	Very low	23.8	Very low	151 Å²	151	135 Å²	135	79%	0.791	73%	0.731	S	S	*	*			trans	65	93.5	174.1	-60.6	138.9	0	0	0	113.9
391	T	21.6	Very low	23.8	Very low	113 Å²	113	135.6 Å²	135.6	69%	0.693	73%	0.727	S	S	*	*				42.4	107.9	74.5	79.9	0	0	0	0	113.3
392	Y	23	Very low	23.9	Very low	204 Å²	204	136 Å²	136	80%	0.8	73%	0.728	S	S	*	*				-175.7	136.8	115.6	-115.9	-110.9	0	0	0	112.1
393	T	22.2	Very low	23.9	Very low	107 Å²	107	137.6 Å²	137.6	66%	0.656	72%	0.722	S	S	*	*			trans	26.7	122.1	149.8	59.5	0	0	0	0	121.8
394	S	22.8	Very low	24.1	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	73%	0.729	S	S	*	*				35.2	99.6	124.2	-169.7	0	0	0	0	118.5
395	S	23.9	Very low	24.3	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	72%	0.718	S	S	*	*			trans	-161.2	149.7	141.1	42.9	0	0	0	0	114.2
396	K	24.3	Very low	24.6	Very low	180 Å²	180	137.1 Å²	137.1	78%	0.783	72%	0.723	S	S	*	*			trans	-30.8	128.2	176.7	-53.7	166	-179.5	178.6	0	117	N398	K396-N398 WeakPolarHBondContact CB-OD1 3.43Å; K396-N398 PolarHBondContact O-ND2 3.14Å
397	Y	27.8	Very low	24.7	Very low	227 Å²	227	138.6 Å²	138.6	89%	0.89	73%	0.733	S	S	*	*			trans	-104.9	119.1	138.1	-81.3	-104.2	0	0	0	105.8
398	N	25.6	Very low	24.7	Very low	102 Å²	102	136.1 Å²	136.1	55%	0.545	74%	0.737	S	S	.	*			cis	79.9	100.5	32.1	-56.6	-2.7	0	0	0	113.8	K396	K396-N398 WeakPolarHBondContact CB-OD1 3.43Å; K396-N398 PolarHBondContact O-ND2 3.14Å
399	D	24.4	Very low	24.7	Very low	124 Å²	124	136.7 Å²	136.7	66%	0.663	75%	0.746	S	S	*	*			trans	28.1	108.2	143.2	-50.6	-44.2	0	0	0	119.1	D401	D399-D401 VanDerWaalsContact C-N 3.3Å; D399-D401 PolarHBondContact O-N 3.2Å
400	I	25.4	Very low	25	Very low	168 Å²	168	137.4 Å²	137.4	86%	0.862	75%	0.748	S	S	*	*			trans	-91.4	72.5	153.9	-53.8	-178.7	0	0	0	108.4	C402	I400-C402 PolarHBondContact O-N 2.88Å
401	D	23.9	Very low	25	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	75%	0.748	S	S	*	*			trans	-69.2	103.8	162.4	-118	-11.2	0	0	0	107.8	D399 F403	D399-D401 VanDerWaalsContact C-N 3.3Å; D399-D401 PolarHBondContact O-N 3.2Å; D401-F403 HydrophobicContact CB-CD2 3.88Å; D401-F403 HydrophobicContact CB-CE2 3.94Å; D401-F403 PolarHBondContact O-N 2.87Å
402	C	24	Very low	25.2	Very low	103 Å²	103	137.5 Å²	137.5	70%	0.696	76%	0.755	S	S	*	*			trans	-76	71.1	-179.3	-168	0	0	0	0	111.1	I400 C404	I400-C402 PolarHBondContact O-N 2.88Å; C402-C404 VanDerWaalsContact C-N 3.27Å; C402-C404 PolarHBondContact O-N 3.44Å
403	F	24	Very low	25.4	Very low	152 Å²	152	136 Å²	136	67%	0.667	76%	0.755	S	S	*	*			trans	-67.9	82.7	167.1	-83.9	-84.1	0	0	0	110.1	D401 T405	D401-F403 HydrophobicContact CB-CD2 3.88Å; D401-F403 HydrophobicContact CB-CE2 3.94Å; D401-F403 PolarHBondContact O-N 2.87Å; F403-T405 PolarHBondContact O-N 3.15Å
404	C	26.4	Very low	25.7	Very low	120 Å²	120	139.4 Å²	139.4	81%	0.811	76%	0.763	S	S	*	*			trans	-71.1	58.2	161.7	-76.5	0	0	0	0	111	C402	C402-C404 VanDerWaalsContact C-N 3.27Å; C402-C404 PolarHBondContact O-N 3.44Å
405	T	26.7	Very low	26	Very low	93 Å²	93	139.9 Å²	139.9	57%	0.571	76%	0.755	S	S	*	*			trans	-130.5	126.4	170.7	52.5	0	0	0	0	107.5	F403	F403-T405 PolarHBondContact O-N 3.15Å
406	Q	30.1	Very low	26.1	Very low	186 Å²	186	142 Å²	142	87%	0.869	76%	0.758	S	S	*	*	S	Bend	trans	81.9	109.4	-167.4	-49.6	-178.2	29.3	0	0	114.6
407	S	26.3	Very low	26.2	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	76%	0.764	S	S	*	*			trans	57.9	85.8	138.4	-49.9	0	0	0	0	119.4	P409	S407-P409 WeakPolarHBondContact O-CD 3.41Å
408	C	25.7	Very low	26.3	Very low	132 Å²	132	137.6 Å²	137.6	89%	0.892	75%	0.751	S	S	*	*			trans	-94	102.6	143	-80.3	0	0	0	0	108.7	I410	C408-I410 PolarHBondContact O-N 2.7Å
409	P	25.1	Very low	26.4	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	76%	0.764	S	S	*	*			trans	-91.4	89.4	-172	35	-32.8	0	0	0	111.6	S407	S407-P409 WeakPolarHBondContact O-CD 3.41Å
410	I	27.6	Very low	26.6	Very low	148 Å²	148	140 Å²	140	76%	0.759	76%	0.763	S	S	*	*			trans	-114.4	96.9	162.5	-57.7	-177.9	0	0	0	107.5	C408	C408-I410 PolarHBondContact O-N 2.7Å
411	N	25	Very low	26.6	Very low	147 Å²	147	138.5 Å²	138.5	79%	0.786	76%	0.757	S	S	*	*			trans	-59.1	136.9	173	-90.3	-21.6	0	0	0	109.7	H413	N411-H413 PolarHBondContact O-N 3Å
412	S	25.3	Very low	26.8	Very low	118 Å²	118	139.6 Å²	139.6	83%	0.825	76%	0.763	S	S	*	*	S	Bend	trans	-75.8	54.8	-179.7	57.4	0	0	0	0	112.5
413	H	27.7	Very low	27	Very low	173 Å²	173	143.9 Å²	143.9	80%	0.801	77%	0.773	S	S	*	*	S	Bend	trans	-152.4	39.2	-172.5	-98	-69.2	0	0	0	114.1	N411	N411-H413 PolarHBondContact O-N 3Å
414	Q	28.5	Very low	27.1	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	77%	0.771	S	S	*	*	S	Bend	trans	-160.5	11	167.8	-121.9	163.1	15.3	0	0	118.1
415	L	28.1	Very low	27.1	Very low	131 Å²	131	141 Å²	141	69%	0.686	76%	0.763	S	S	*	*			trans	-112.3	29	-177.7	-75.1	174.6	0	0	0	114.9	L418	L415-L418 HydrophobicContact CD2-CD1 3.81Å
416	N	26.7	Very low	27.2	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	77%	0.768	S	S	*	*	S	Bend	trans	-100.3	144	147.3	-73.2	-19.7	0	0	0	106.6
417	E	27	Very low	27.1	Very low	197 Å²	197	141.2 Å²	141.2	92%	0.921	76%	0.758	S	S	*	*	S	Bend	trans	68.4	53.8	-170.8	-56.4	-172.1	-173.9	0	0	115.9
418	L	28.9	Very low	27.4	Very low	118 Å²	118	141.2 Å²	141.2	62%	0.618	76%	0.758	S	S	*	*			trans	-115.6	118.7	144.7	-85.4	179.8	0	0	0	110.1	L415 L420	L415-L418 HydrophobicContact CD2-CD1 3.81Å; L418-L420 HydrophobicContact CB-CD1 4.47Å; L418-L420 PolarHBondContact O-N 3.29Å
419	N	26.7	Very low	27.3	Very low	150 Å²	150	140 Å²	140	80%	0.802	75%	0.75	S	S	*	*			trans	-74.3	103.1	176.1	-168.5	25.6	0	0	0	108.8	D421	N419-D421 PolarHBondContact O-N 2.96Å
420	L	29.7	Very low	27.4	Very low	126 Å²	126	140.9 Å²	140.9	66%	0.66	75%	0.753	S	S	*	*			trans	-83.6	27.1	-160.5	-141.3	77.3	0	0	0	115.5	L418 N422 I424	L418-L420 HydrophobicContact CB-CD1 4.47Å; L418-L420 PolarHBondContact O-N 3.29Å; L420-N422 PolarHBondContact O-N 3Å; L420-I424 HydrophobicContact CD1-CD1 4.46Å
421	D	25	Very low	27.7	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	75%	0.747	S	S	*	*			trans	-74	57.4	165.2	-81.3	-31.2	0	0	0	111	N419	N419-D421 PolarHBondContact O-N 2.96Å
422	N	28.8	Very low	28	Very low	145 Å²	145	137 Å²	137	78%	0.775	74%	0.741	S	S	*	*	S	Bend	trans	-161.9	150.9	161.5	-107.9	-53.3	0	0	0	113.5	L420 I424	L420-N422 PolarHBondContact O-N 3Å; N422-I424 PolarHBondContact O-N 2.79Å
423	Q	26.9	Very low	28.3	Very low	193 Å²	193	133.4 Å²	133.4	90%	0.902	72%	0.716	S	S	*	*			trans	-78.6	102.9	-168.4	-63	177.9	-0.2	0	0	113
424	I	27.2	Very low	28.5	Very low	120 Å²	120	130 Å²	130	62%	0.615	71%	0.71	S	S	*	*			trans	-89.9	106	167.3	-57	-177.9	0	0	0	109.7	L420 N422 L426	L420-I424 HydrophobicContact CD1-CD1 4.46Å; N422-I424 PolarHBondContact O-N 2.79Å; I424-L426 HydrophobicContact CG2-CG 4.27Å; I424-L426 PolarHBondContact O-N 3.27Å
425	S	25.6	Very low	28.5	Very low	92 Å²	92	123.6 Å²	123.6	64%	0.643	68%	0.684	S	S	*	*			trans	-73.7	86	179	-174	0	0	0	0	112	K427	S425-K427 PolarHBondContact O-N 3.31Å
426	L	28.7	Very low	28.5	Very low	131 Å²	131	121 Å²	121	69%	0.686	68%	0.676	S	S	*	*			trans	-72.6	32.5	178.2	-80.7	158.9	0	0	0	114.4	I424 S428	I424-L426 HydrophobicContact CG2-CG 4.27Å; I424-L426 PolarHBondContact O-N 3.27Å; L426-S428 PolarHBondContact O-N 3.33Å
427	K	29.6	Very low	28.7	Very low	152 Å²	152	119 Å²	119	66%	0.661	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-6	-178.8	-79.3	-171	173.7	-175.9	0	114.7	S425 N665	S425-K427 PolarHBondContact O-N 3.31Å; K427-N665 PolarHBondContact NZ-OD1 3.15Å
428	S	30.6	Very low	28.9	Very low	106 Å²	106	111.6 Å²	111.6	74%	0.741	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-17.5	-171.3	52.6	0	0	0	0	116.2	L426 V430	L426-S428 PolarHBondContact O-N 3.33Å; S428-V430 PolarHBondContact O-N 2.96Å
429	C	25.1	Very low	29	Very low	107 Å²	107	112.3 Å²	112.3	72%	0.723	63%	0.63	S	S	*	*			trans	-95.5	54.2	-173.1	-64.4	0	0	0	0	113.7
430	V	27.2	Very low	29.2	Very low	135 Å²	135	113.1 Å²	113.1	82%	0.818	62%	0.622	S	S	*	*			trans	-104.9	92.5	174.9	-174.7	0	0	0	0	109.9	S428	S428-V430 PolarHBondContact O-N 2.96Å
431	S	33.6	Very low	29.4	Very low	91 Å²	91	109.7 Å²	109.7	64%	0.636	60%	0.601	S	S	*	*			trans	-144.3	139.9	171	69.1	0	0	0	0	110.3	C433	S431-C433 PolarHBondContact O-N 2.93Å
432	D	32	Very low	29.8	Very low	121 Å²	121	107.8 Å²	107.8	65%	0.647	59%	0.59	S	S	*	*			trans	-75.3	52.9	-167.5	-64	-79.7	0	0	0	115.4	R712	D432-R712 IonicContact OD1-CZ 3.39Å; D432-R712 IonicContact OD1-NH1 3.1Å; D432-R712 PolarHBondContact OD1-NH1 3.29Å; D432-R712 VanDerWaalsContact OD1-NH1 3.1Å; D432-R712 IonicContact OD1-NH2 2.73Å; D432-R712 PolarHBondContact OD1-NH2 3.12Å
433	C	30.1	Very low	29.8	Very low	44 Å²	44	106.2 Å²	106.2	30%	0.297	58%	0.581	S	S	.	*			trans	-92.6	111.5	169.1	-167.7	0	0	0	0	110.8	S431 C435 C436	S431-C433 PolarHBondContact O-N 2.93Å; C433-C435 PolarHBondContact O-N 3.04Å; C433-C435 VanDerWaalsContact O-N 3.07Å; C433-C436 PolarHBondContact O-N 3.18Å; C433-C436 VanDerWaalsContact O-N 3.16Å
434	C	31.6	Very low	30.1	Very low	102 Å²	102	104 Å²	104	69%	0.689	57%	0.566	S	S	*	*	H	α-helix	trans	-55.9	-26.8	177.5	-159.1	0	0	0	0	112.8	C438	C434-C438 PolarHBondContact O-SG 3.26Å; C434-C438 VanDerWaalsContact O-SG 3.33Å
435	C	28.9	Very low	30.2	Very low	42 Å²	42	101.8 Å²	101.8	28%	0.284	56%	0.56	S	S	.	*	H	α-helix	trans	-70.7	-33.4	179.9	-57.2	0	0	0	0	114.2	C433 C438	C433-C435 PolarHBondContact O-N 3.04Å; C433-C435 VanDerWaalsContact O-N 3.07Å; C435-C438 PolarHBondContact O-N 3.17Å
436	C	29.3	Very low	30.4	Very low	76 Å²	76	103.8 Å²	103.8	51%	0.514	56%	0.564	S	S	.	*	H	α-helix	trans	-72.8	-37	-172.3	-62.8	0	0	0	0	112.5	C433 C438 Q439	C433-C436 PolarHBondContact O-N 3.18Å; C433-C436 VanDerWaalsContact O-N 3.16Å; C436-C438 VanDerWaalsContact C-N 3.31Å; C436-C438 PolarHBondContact O-N 3.22Å; C436-Q439 PolarHBondContact O-N 2.94Å
437	F	29.2	Very low	30.5	Very low	113 Å²	113	104.1 Å²	104.1	50%	0.496	56%	0.561	S	S	.	*	H	α-helix	trans	-70.7	-30.1	177.3	-140.8	-108.2	0	0	0	111.9	Q439 R440 Y441	F437-Q439 VanDerWaalsContact C-N 3.34Å; F437-Q439 PolarHBondContact O-N 3.46Å; F437-R440 PolarHBondContact O-N 3.36Å; F437-Y441 HydrophobicContact CD1-CD2 4.13Å; F437-Y441 AromaticContact CD1-CE2 3.93Å; F437-Y441 HydrophobicContact CD1-CE2 3.93Å; F437-Y441 HydrophobicContact CE1-CD2 4.2Å; F437-Y441 AromaticContact CE1-CE2 3.53Å; F437-Y441 HydrophobicContact CE1-CE2 3.53Å; F437-Y441 HydrophobicContact CZ-CE2 4.23Å
438	C	32.3	Very low	30.4	Very low	43 Å²	43	104.4 Å²	104.4	29%	0.291	57%	0.57	S	S	.	*	H	α-helix	trans	-60.1	-38.9	175.6	-69.4	0	0	0	0	112.8	C434 C435 C436 R440 Y441 L442	C434-C438 PolarHBondContact O-SG 3.26Å; C434-C438 VanDerWaalsContact O-SG 3.33Å; C435-C438 PolarHBondContact O-N 3.17Å; C436-C438 VanDerWaalsContact C-N 3.31Å; C436-C438 PolarHBondContact O-N 3.22Å; C438-R440 VanDerWaalsContact C-N 3.27Å; C438-R440 PolarHBondContact O-N 3.36Å; C438-Y441 PolarHBondContact O-N 3.01Å; C438-Y441 VanDerWaalsContact O-N 3.15Å; C438-L442 HydrophobicContact CB-CD1 4.11Å; C438-L442 WeakPolarHBondContact O-CB 3.49Å; C438-L442 VanDerWaalsContact O-CG 3.26Å; C438-L442 WeakPolarHBondContact O-CG 3.4Å; C438-L442 PolarHBondContact O-N 2.84Å
439	Q	31.8	Very low	30.3	Very low	132 Å²	132	109 Å²	109	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-61.1	-35.7	177.7	-74.8	178.2	-70.4	0	0	112.6	C436 F437 Y441 N443	C436-Q439 PolarHBondContact O-N 2.94Å; F437-Q439 VanDerWaalsContact C-N 3.34Å; F437-Q439 PolarHBondContact O-N 3.46Å; Q439-Y441 PolarHBondContact O-N 2.89Å; Q439-N443 VanDerWaalsContact O-CG 3.28Å; Q439-N443 PolarHBondContact O-N 2.96Å; Q439-N443 PolarHBondContact O-OD1 3.39Å
440	R	29.2	Very low	30.3	Very low	168 Å²	168	112 Å²	112	63%	0.634	58%	0.579	S	S	*	*	H	α-helix	trans	-65.5	-25.4	178.6	-169	172	178.4	124.5	-0.7	113.1	F437 C438 Y444	F437-R440 PolarHBondContact O-N 3.36Å; C438-R440 VanDerWaalsContact C-N 3.27Å; C438-R440 PolarHBondContact O-N 3.36Å; R440-Y444 VanDerWaalsContact O-CD2 3.28Å; R440-Y444 WeakPolarHBondContact O-CD2 3.43Å; R440-Y444 WeakPolarHBondContact O-CE2 3.35Å
441	Y	35.5	Very low	30.1	Very low	54 Å²	54	111.1 Å²	111.1	21%	0.212	57%	0.574	C	S	.	*	H	α-helix	trans	-106.7	-26.6	-179.7	-74.8	-84.8	0	0	0	114.4	F437 C438 Q439 N443 Y444 E792	F437-Y441 HydrophobicContact CD1-CD2 4.13Å; F437-Y441 AromaticContact CD1-CE2 3.93Å; F437-Y441 HydrophobicContact CD1-CE2 3.93Å; F437-Y441 HydrophobicContact CE1-CD2 4.2Å; F437-Y441 AromaticContact CE1-CE2 3.53Å; F437-Y441 HydrophobicContact CE1-CE2 3.53Å; F437-Y441 HydrophobicContact CZ-CE2 4.23Å; C438-Y441 PolarHBondContact O-N 3.01Å; C438-Y441 VanDerWaalsContact O-N 3.15Å; Q439-Y441 PolarHBondContact O-N 2.89Å; Y441-N443 PolarHBondContact O-N 3.48Å; Y441-Y444 WeakPolarHBondContact O-CB 3.36Å; Y441-Y444 PolarHBondContact O-N 2.92Å; Y441-E792 PolarHBondContact OH-OE1 3.44Å; Y441-E792 VanDerWaalsContact OH-OE1 3.13Å
442	L	32	Very low	29.7	Very low	97 Å²	97	112 Å²	112	51%	0.508	58%	0.577	S	S	.	*	H	α-helix	trans	-61.8	-33.2	170.6	-74.8	166.9	0	0	0	111.4	C438 Y444 C445 D446	C438-L442 HydrophobicContact CB-CD1 4.11Å; C438-L442 WeakPolarHBondContact O-CB 3.49Å; C438-L442 VanDerWaalsContact O-CG 3.26Å; C438-L442 WeakPolarHBondContact O-CG 3.4Å; C438-L442 PolarHBondContact O-N 2.84Å; L442-Y444 PolarHBondContact O-N 3.31Å; L442-Y444 VanDerWaalsContact O-N 3.14Å; L442-C445 WeakPolarHBondContact O-CA 3.24Å; L442-C445 WeakPolarHBondContact O-CB 3.29Å; L442-C445 PolarHBondContact O-N 2.85Å; L442-D446 PolarHBondContact O-N 3.44Å
443	N	29.5	Very low	29.4	Very low	111 Å²	111	115.2 Å²	115.2	59%	0.594	59%	0.586	S	S	*	*	H	α-helix	trans	-60.3	-19.6	171.6	-71.3	4.1	0	0	0	114	Q439 Y441	Q439-N443 VanDerWaalsContact O-CG 3.28Å; Q439-N443 PolarHBondContact O-N 2.96Å; Q439-N443 PolarHBondContact O-OD1 3.39Å; Y441-N443 PolarHBondContact O-N 3.48Å
444	Y	32.7	Very low	29.1	Very low	147 Å²	147	118.6 Å²	118.6	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-89.6	-14.3	171.7	-69.9	-97	0	0	0	112.9	R440 Y441 L442	R440-Y444 VanDerWaalsContact O-CD2 3.28Å; R440-Y444 WeakPolarHBondContact O-CD2 3.43Å; R440-Y444 WeakPolarHBondContact O-CE2 3.35Å; Y441-Y444 WeakPolarHBondContact O-CB 3.36Å; Y441-Y444 PolarHBondContact O-N 2.92Å; L442-Y444 PolarHBondContact O-N 3.31Å; L442-Y444 VanDerWaalsContact O-N 3.14Å
445	C	29.8	Very low	29	Very low	74 Å²	74	118.7 Å²	118.7	50%	0.5	61%	0.612	S	S	.	*	H	α-helix	trans	-84.4	-30	174.9	-62.3	0	0	0	0	112.5	L442 H447	L442-C445 WeakPolarHBondContact O-CA 3.24Å; L442-C445 WeakPolarHBondContact O-CB 3.29Å; L442-C445 PolarHBondContact O-N 2.85Å; C445-H447 PolarHBondContact O-N 3.42Å; C445-H447 VanDerWaalsContact O-N 3.09Å
446	D	29.7	Very low	28.8	Very low	134 Å²	134	123.8 Å²	123.8	72%	0.717	64%	0.636	S	S	*	*			trans	-84	38.7	-176.7	-83.5	-34	0	0	0	113.9	L442	L442-D446 PolarHBondContact O-N 3.44Å
447	H	30.2	Very low	28.8	Very low	137 Å²	137	127 Å²	127	63%	0.634	65%	0.649	S	S	*	*			trans	-118.7	39.7	-179.3	-89.1	25.1	0	0	0	115	C445 R449	C445-H447 PolarHBondContact O-N 3.42Å; C445-H447 VanDerWaalsContact O-N 3.09Å; H447-R449 PolarHBondContact O-N 2.89Å
448	N	28.3	Very low	28.5	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	66%	0.664	S	S	*	*			trans	-68.9	61.5	151.4	-84.2	-9.8	0	0	0	110.5
449	R	27.3	Very low	28.4	Very low	204 Å²	204	137.5 Å²	137.5	77%	0.77	69%	0.688	S	S	*	*			trans	-97.1	97.7	-174.7	-158.1	176.2	-166.3	-149.9	1.6	110.7	H447 V451	H447-R449 PolarHBondContact O-N 2.89Å; R449-V451 PolarHBondContact O-N 3.39Å
450	L	25.2	Very low	28.3	Very low	170 Å²	170	138.6 Å²	138.6	89%	0.89	69%	0.693	S	S	*	*			trans	-48.7	125.7	171.1	-77.4	161.2	0	0	0	110.9	P452	L450-P452 WeakPolarHBondContact O-CD 3.44Å
451	V	24.6	Very low	28.3	Very low	116 Å²	116	137.9 Å²	137.9	70%	0.703	70%	0.696	S	S	*	*			trans	-79.3	118.5	174.8	177.2	0	0	0	0	108.9	R449 F453	R449-V451 PolarHBondContact O-N 3.39Å; V451-F453 PolarHBondContact O-N 3.31Å; V451-F453 VanDerWaalsContact O-N 3.12Å
452	P	25	Very low	28.1	Very low	109 Å²	109	141.7 Å²	141.7	71%	0.708	72%	0.721	S	S	*	*			trans	-78.2	97.8	175.6	31.3	-32.4	0	0	0	110	L450 S454	L450-P452 WeakPolarHBondContact O-CD 3.44Å; P452-S454 PolarHBondContact O-N 3.21Å
453	F	24.5	Very low	28	Very low	189 Å²	189	143.8 Å²	143.8	83%	0.829	73%	0.732	S	S	*	*			trans	-60.2	118.8	167.2	-94.3	-90.7	0	0	0	109.8	V451	V451-F453 PolarHBondContact O-N 3.31Å; V451-F453 VanDerWaalsContact O-N 3.12Å
454	S	23.4	Very low	28.1	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	74%	0.739	S	S	*	*			trans	-133	89	173.3	45	0	0	0	0	110.3	P452	P452-S454 PolarHBondContact O-N 3.21Å
455	S	29.5	Very low	28	Very low	104 Å²	104	145.6 Å²	145.6	73%	0.727	75%	0.745	S	S	*	*			trans	-141	138.7	165.3	47.4	0	0	0	0	108.7
456	N	25.4	Very low	27.9	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	75%	0.752	S	S	*	*			trans	-78.9	168.7	-161	-61.5	-39.8	0	0	0	114.7
457	N	29	Very low	27.8	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	76%	0.755	S	S	*	*			trans	115.8	93.9	162.3	-56.4	-15.4	0	0	0	111
458	Q	24.5	Very low	27.6	Very low	177 Å²	177	146.6 Å²	146.6	83%	0.827	76%	0.756	S	S	*	*				69.3	146.8	73	-70.8	-165.9	-48.8	0	0	114.5
459	Y	29.3	Very low	27.5	Very low	199 Å²	199	143.8 Å²	143.8	78%	0.78	75%	0.749	S	S	*	*			trans	77.2	108.6	-159.5	-59.9	-78.2	0	0	0	113
460	E	29.4	Very low	27.6	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.724	75%	0.746	S	S	*	*				77.4	134.1	62.3	-73.6	179.6	-177	0	0	112.5
461	Q	29.7	Very low	27.6	Very low	152 Å²	152	142.4 Å²	142.4	71%	0.71	74%	0.74	S	S	*	*			cis	-158.8	179.7	-15.8	-151.9	175.3	-55.6	0	0	108.8
462	D	31.7	Very low	27.8	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	75%	0.745	S	S	*	*			trans	68.9	152	166.2	-53.1	-15.8	0	0	0	118.7
463	D	29.1	Very low	27.9	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	74%	0.741	S	S	*	*				-178.3	174.2	-52.4	-128.9	-32	0	0	0	107.6
464	Q	32.8	Very low	27.9	Very low	156 Å²	156	142.2 Å²	142.2	73%	0.729	75%	0.745	S	S	*	*			trans	86	105	161.9	-49.3	-142.4	1.8	0	0	117.2
465	I	28.8	Very low	28.2	Very low	140 Å²	140	146.9 Å²	146.9	72%	0.718	75%	0.751	S	S	*	*				94.4	132.1	81.3	-82.2	162.5	0	0	0	111.7
466	V	29.2	Very low	28.2	Very low	107 Å²	107	151 Å²	151	65%	0.648	76%	0.758	S	S	*	*			cis	-161.7	163.9	-6.3	100.5	0	0	0	0	111.9
467	Q	27.6	Very low	28.2	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	75%	0.752	S	S	*	*			trans	-8.8	159.3	153.1	-55.3	160.9	-8.7	0	0	119.1
468	S	25.4	Very low	28.1	Very low	95 Å²	95	153.5 Å²	153.5	66%	0.664	75%	0.753	S	S	*	*			cis	177.2	-177.9	-14.9	62.8	0	0	0	0	109.2
469	S	26.6	Very low	28.1	Very low	99 Å²	99	153.7 Å²	153.7	69%	0.692	75%	0.748	S	S	*	*			trans	78.3	149	155.5	87	0	0	0	0	117.5
470	H	28.3	Very low	28	Very low	153 Å²	153	153.8 Å²	153.8	71%	0.708	75%	0.748	S	S	*	*			cis	-159.7	149.8	-2.1	-127.8	19.9	0	0	0	111.8
471	Y	25.6	Very low	27.7	Very low	191 Å²	191	152.5 Å²	152.5	75%	0.749	74%	0.742	S	S	*	*			trans	65.2	158.8	155.6	-81.8	-126.4	0	0	0	119.5
472	H	28.1	Very low	27.5	Very low	175 Å²	175	155 Å²	155	81%	0.81	75%	0.747	S	S	*	*			cis	-171.5	140.4	-34.2	-164	-91.4	0	0	0	108.6
473	G	27.1	Very low	27.2	Very low	61 Å²	61	158 Å²	158	63%	0.629	75%	0.749	S	S	*	*			trans	147.1	125.7	160.9	0	0	0	0	0	119.8
474	L	26.1	Very low	26.9	Very low	175 Å²	175	156.7 Å²	156.7	92%	0.916	75%	0.75	S	S	*	*			trans	60.1	83.7	147.4	-58	174.6	0	0	0	119.6
475	K	29.8	Very low	26.5	Very low	212 Å²	212	155.7 Å²	155.7	92%	0.922	76%	0.759	S	S	*	*			trans	-128.2	155	135.4	-82.4	-167.9	176.8	179.3	0	110.3
476	Q	29.3	Very low	26.3	Very low	189 Å²	189	157 Å²	157	88%	0.883	76%	0.762	S	S	*	*			trans	-92	160.8	-166.8	-72.3	172.7	-32.4	0	0	113.2
477	Q	24.4	Very low	26.3	Very low	142 Å²	142	160.5 Å²	160.5	66%	0.664	77%	0.771	S	S	*	*			trans	-63.1	127.2	-164.8	-64.7	152.4	-51.1	0	0	114
478	Y	27.5	Very low	26.3	Very low	205 Å²	205	160.9 Å²	160.9	80%	0.804	77%	0.773	S	S	*	*			trans	-120.1	116.1	148.3	-82.7	-95.7	0	0	0	106.9	Y480	Y478-Y480 PolarHBondContact O-N 2.95Å
479	Y	24.8	Very low	26.4	Very low	181 Å²	181	164 Å²	164	71%	0.71	78%	0.776	S	S	*	*			trans	-86	101.1	179	-101	-86.1	0	0	0	110.2	H481	Y479-H481 AromaticContact CD1-CD2 3.88Å; Y479-H481 AromaticContact CE1-NE2 3.89Å
480	Y	25.7	Very low	26.5	Very low	201 Å²	201	168.2 Å²	168.2	79%	0.788	79%	0.785	S	S	*	*			trans	-95.2	110.1	155.8	-87.1	-88.2	0	0	0	108.1	Y478 Y482	Y478-Y480 PolarHBondContact O-N 2.95Å; Y480-Y482 PolarHBondContact O-N 3.4Å
481	H	24.9	Very low	26.4	Very low	128 Å²	128	167.6 Å²	167.6	59%	0.593	78%	0.782	S	S	*	*			trans	-87.5	85.6	171.7	-111.1	-58.9	0	0	0	110.3	Y479 Y483	Y479-H481 AromaticContact CD1-CD2 3.88Å; Y479-H481 AromaticContact CE1-NE2 3.89Å; H481-Y483 AromaticContact CE1-CE2 3.94Å; H481-Y483 AromaticContact ND1-CE2 3.44Å; H481-Y483 WeakPolarHBondContact ND1-CE2 3.42Å; H481-Y483 AromaticContact ND1-CZ 3.96Å
482	Y	23.7	Very low	26.7	Very low	206 Å²	206	167.3 Å²	167.3	81%	0.808	79%	0.787	S	S	*	*			trans	-72.5	135.6	154.7	-90.8	-98.3	0	0	0	108.8	Y480	Y480-Y482 PolarHBondContact O-N 3.4Å
483	Y	25.6	Very low	26.6	Very low	198 Å²	198	167.2 Å²	167.2	78%	0.776	78%	0.781	S	S	*	*			trans	-116.4	121	161.5	-88.9	-81.3	0	0	0	108.8	H481	H481-Y483 AromaticContact CE1-CE2 3.94Å; H481-Y483 AromaticContact ND1-CE2 3.44Å; H481-Y483 WeakPolarHBondContact ND1-CE2 3.42Å; H481-Y483 AromaticContact ND1-CZ 3.96Å
484	S	22.7	Very low	26.8	Very low	111 Å²	111	175.5 Å²	175.5	78%	0.776	80%	0.795	S	S	*	*			trans	-113.4	149	163.7	57.5	0	0	0	0	108
485	C	25.6	Very low	26.8	Very low	135 Å²	135	173.5 Å²	173.5	91%	0.912	78%	0.78	S	S	*	*			trans	-146.6	131.7	172.5	-136.7	0	0	0	0	109.4
486	Q	24.2	Very low	27	Very low	167 Å²	167	171.7 Å²	171.7	78%	0.78	78%	0.775	S	S	*	*			trans	-107.4	144	179	-58.9	170.9	-57.5	0	0	109
487	H	29.1	Very low	27	Very low	182 Å²	182	168.7 Å²	168.7	84%	0.843	76%	0.76	S	S	*	*			trans	-173.8	113.5	139.4	-85.1	-48.1	0	0	0	106.8
488	H	28.4	Very low	27.4	Very low	172 Å²	172	170 Å²	170	80%	0.796	77%	0.766	S	S	*	*				84	134.9	76.2	-95.7	58	0	0	0	114.8
489	H	26	Very low	27.7	Very low	160 Å²	160	166 Å²	166	74%	0.741	76%	0.755	S	S	*	*			trans	-66.7	157.7	-165.3	-65.8	-88.5	0	0	0	115.9
490	H	29.8	Very low	28	Very low	189 Å²	189	163.6 Å²	163.6	88%	0.875	75%	0.75	S	S	*	*				-153.9	148.5	108.9	-120	-86.9	0	0	0	113.3
491	H	26.8	Very low	28.4	Very low	139 Å²	139	162 Å²	162	64%	0.644	75%	0.749	S	S	*	*			trans	-78.3	156.7	175	-87.2	-98.2	0	0	0	112.5
492	H	30.1	Very low	28.5	Very low	185 Å²	185	166 Å²	166	86%	0.856	76%	0.759	S	S	*	*				-158.9	153.8	118.4	-119.4	-87.3	0	0	0	113.8
493	Y	26.3	Very low	28.8	Very low	173 Å²	173	166.5 Å²	166.5	68%	0.678	76%	0.759	S	S	*	*			trans	-80.3	159.7	-179.7	-86.6	-111.9	0	0	0	113.5
494	Y	30.9	Very low	29	Very low	235 Å²	235	163.7 Å²	163.7	92%	0.922	75%	0.753	S	S	*	*				-156.5	161.8	121.4	-112.2	-74.2	0	0	0	112.6
495	H	27.5	Very low	29.3	Very low	133 Å²	133	164.9 Å²	164.9	62%	0.616	75%	0.747	S	S	*	*			trans	-132.4	142.8	-165	-132.7	-64.8	0	0	0	110.3
496	H	33	Very low	29.6	Very low	174 Å²	174	165.3 Å²	165.3	81%	0.806	74%	0.735	S	S	*	*			trans	177.3	126.3	141.2	-99.8	-74.4	0	0	0	108.7
497	H	30.4	Very low	29.9	Very low	126 Å²	126	164.2 Å²	164.2	58%	0.583	73%	0.73	S	S	*	*			cis	76.5	108.4	49.2	-105.8	-68.9	0	0	0	116.5
498	H	32.9	Very low	30	Very low	170 Å²	170	163 Å²	163	79%	0.787	72%	0.724	S	S	*	*			trans	151.6	159.4	138.2	-88.3	-77.3	0	0	0	111.6
499	H	32.9	Very low	30	Very low	122 Å²	122	162.5 Å²	162.5	57%	0.565	72%	0.722	S	S	*	*				-167.8	140.5	-54.5	-135.5	-88	0	0	0	109.4
500	H	32.2	Very low	30	Very low	129 Å²	129	158.4 Å²	158.4	60%	0.597	71%	0.705	S	S	*	*			trans	43	125.8	152.2	-82.8	-153.4	0	0	0	122.8
501	H	32.6	Very low	30	Very low	169 Å²	169	153.2 Å²	153.2	78%	0.782	69%	0.69	S	S	*	*				170.2	121.9	106	-96.5	-81.3	0	0	0	108.2
502	R	27.2	Very low	30.2	Very low	212 Å²	212	152.5 Å²	152.5	80%	0.8	69%	0.686	S	S	*	*			cis	85.2	88.1	28.6	-157	-167.9	-152.3	-154	10.1	115
503	R	29.7	Very low	30.1	Very low	215 Å²	215	149.7 Å²	149.7	81%	0.811	68%	0.678	S	S	*	*			trans	-175.6	131.1	137.7	-99.4	-173.7	165.7	138.2	0	110.1
504	Q	30.1	Very low	30.3	Very low	139 Å²	139	150 Å²	150	65%	0.65	68%	0.683	S	S	*	*				67.1	131.5	81.7	-67.8	-176	-44.6	0	0	112.6
505	Q	30.5	Very low	30.2	Very low	136 Å²	136	144 Å²	144	64%	0.636	67%	0.667	S	S	*	*			cis	-165	163.1	12.2	-114	166.2	-48.9	0	0	112.6
506	H	31.6	Very low	30.2	Very low	145 Å²	145	145.1 Å²	145.1	67%	0.671	67%	0.672	S	S	*	*			trans	40	153.8	143.7	-59.4	-37.4	0	0	0	123.2
507	H	29.7	Very low	30	Very low	144 Å²	144	143.3 Å²	143.3	67%	0.667	68%	0.678	S	S	*	*			cis	-174.5	151.1	-30.8	-124.9	-32.2	0	0	0	109.9
508	H	30.3	Very low	29.7	Very low	156 Å²	156	144.3 Å²	144.3	72%	0.722	68%	0.682	S	S	*	*			trans	64.2	151.9	163.3	-56.4	-63.8	0	0	0	119.7
509	H	29.4	Very low	29.5	Very low	161 Å²	161	143.7 Å²	143.7	75%	0.745	68%	0.684	S	S	*	*			cis	-161.4	-133.1	-39.9	-152.3	-42.5	0	0	0	107.8
510	L	26.6	Very low	29	Very low	74 Å²	74	145.2 Å²	145.2	39%	0.387	69%	0.688	S	S	.	*			trans	76.3	122.3	151.1	-39.7	-175.4	0	0	0	116.8	V364 Y365 N366	V364-L510 WeakPolarHBondContact O-CD2 3.34Å; Y365-L510 CarbonylContact O-C 3.44Å; Y365-L510 WeakPolarHBondContact O-CA 3.25Å; Y365-L510 WeakPolarHBondContact O-CB 3.36Å; N366-L510 VanDerWaalsContact CA-CB 3.49Å; N366-L510 WeakPolarHBondContact O-CD1 3.46Å; N366-L510 VanDerWaalsContact OD1-C 3.24Å; N366-L510 PolarHBondContact OD1-O 3.35Å; N366-L510 VanDerWaalsContact OD1-O 3.09Å
511	S	29.4	Very low	28.7	Very low	80 Å²	80	148.8 Å²	148.8	56%	0.559	70%	0.703	S	S	*	*			cis	110.8	97.4	-3.4	67.4	0	0	0	0	122.6	Y365 N366	Y365-S511 CarbonylContact C-O 3.22Å; Y365-S511 CarbonylContact O-C 3.59Å; Y365-S511 VanDerWaalsContact O-C 3.32Å; Y365-S511 VanDerWaalsContact O-CA 3.25Å; Y365-S511 WeakPolarHBondContact O-CA 3.02Å; Y365-S511 WeakPolarHBondContact O-CB 3.4Å; Y365-S511 PolarHBondContact O-N 3.39Å; Y365-S511 PolarHBondContact O-OG 2.98Å; N366-S511 WeakPolarHBondContact CB-O 3.11Å; N366-S511 VanDerWaalsContact CG-C 3.42Å; N366-S511 PolarHBondContact N-O 3.26Å; N366-S511 WeakPolarHBondContact OD1-CA 3.48Å; N366-S511 PolarHBondContact OD1-N 3.05Å
512	H	30.5	Very low	28.5	Very low	124 Å²	124	146.2 Å²	146.2	57%	0.574	70%	0.699	S	S	*	*			trans	-161	171.7	163.3	-126.6	-41.4	0	0	0	112.8	Y365 N366	Y365-H512 AromaticContact CE1-CD2 3.99Å; Y365-H512 AromaticContact CE1-NE2 3.6Å; N366-H512 HydrophobicContact CB-CB 3.86Å; N366-H512 WeakPolarHBondContact ND2-CB 3.41Å
513	D	28.5	Very low	28.3	Very low	127 Å²	127	142.7 Å²	142.7	68%	0.679	70%	0.701	S	S	*	*			trans	-94.5	172.3	-159.4	-39.9	-101.2	0	0	0	117
514	F	29.9	Very low	28.2	Very low	178 Å²	178	139.9 Å²	139.9	78%	0.781	70%	0.702	S	S	*	*				-175.6	127.8	109.4	-114.5	-97.1	0	0	0	115.7
515	N	29.3	Very low	27.9	Very low	111 Å²	111	141.7 Å²	141.7	59%	0.594	71%	0.711	S	S	*	*			trans	53.1	116.7	148.2	-75.1	5.6	0	0	0	126.7
516	Q	28.4	Very low	27.8	Very low	155 Å²	155	144 Å²	144	72%	0.724	72%	0.721	S	S	*	*				66.4	123	118.3	-63.9	176	-28	0	0	122.7
517	C	27.5	Very low	27.4	Very low	136 Å²	136	143.5 Å²	143.5	92%	0.919	73%	0.728	S	S	*	*				-151.8	129.1	117.5	-142	0	0	0	0	111.1
518	H	25.2	Very low	27.3	Very low	147 Å²	147	143 Å²	143	68%	0.681	74%	0.736	S	S	*	*			trans	-99.7	142.5	-179.8	-87.4	-74.7	0	0	0	111.8
519	I	27.9	Very low	26.9	Very low	158 Å²	158	143.7 Å²	143.7	81%	0.81	75%	0.745	S	S	*	*			trans	-126.6	125.3	144.6	-60.5	-178	0	0	0	107.7	F521	I519-F521 HydrophobicContact CG2-CD2 4.47Å; I519-F521 HydrophobicContact CG2-CE2 4.26Å
520	K	22.9	Very low	26.8	Very low	153 Å²	153	142.1 Å²	142.1	67%	0.665	75%	0.747	S	S	*	*			trans	-101.1	142.6	175.1	-64.8	177.1	179.2	177.8	0	109.1
521	F	26.5	Very low	26.7	Very low	205 Å²	205	147.2 Å²	147.2	90%	0.899	77%	0.768	S	S	*	*			trans	-122.8	123.4	147	-84.8	-78.1	0	0	0	108.8	I519	I519-F521 HydrophobicContact CG2-CD2 4.47Å; I519-F521 HydrophobicContact CG2-CE2 4.26Å
522	T	28.1	Very low	26.4	Very low	114 Å²	114	148.9 Å²	148.9	70%	0.699	78%	0.779	S	S	*	*			trans	-89.4	136.5	-171.6	45.4	0	0	0	0	111.2	N524	T522-N524 PolarHBondContact O-N 2.89Å
523	T	23.2	Very low	26.1	Very low	138 Å²	138	148.9 Å²	148.9	85%	0.847	79%	0.787	S	S	*	*			trans	-59.4	118.3	168.1	48.1	0	0	0	0	110.6
524	N	26.7	Very low	25.9	Very low	157 Å²	157	150 Å²	150	84%	0.84	79%	0.793	S	S	*	*			trans	-113.1	118.7	163.1	-117.8	1.4	0	0	0	108.1	T522	T522-N524 PolarHBondContact O-N 2.89Å
525	Q	23.7	Very low	25.6	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	78%	0.78	S	S	*	*			trans	-80.5	120.8	178.1	-66.5	173.9	-12.9	0	0	109.3
526	H	28.9	Very low	25.5	Very low	183 Å²	183	147.7 Å²	147.7	85%	0.847	79%	0.787	S	S	*	*			trans	-139.4	119.2	153.9	-102.2	-70.1	0	0	0	110
527	T	23.2	Very low	25.5	Very low	135 Å²	135	146.9 Å²	146.9	83%	0.828	79%	0.786	S	S	*	*			trans	-86.2	114.8	-177.9	49.4	0	0	0	0	111
528	T	27.5	Very low	25.7	Very low	134 Å²	134	146.6 Å²	146.6	82%	0.822	77%	0.771	S	S	*	*			trans	-137.5	133.1	160.4	41.4	0	0	0	0	110.1
529	N	22.3	Very low	25.9	Very low	171 Å²	171	144.5 Å²	144.5	91%	0.914	77%	0.765	S	S	*	*			trans	-79.8	122.8	178.2	-72.4	-37.9	0	0	0	110.8
530	T	27.3	Very low	26.1	Very low	127 Å²	127	146.9 Å²	146.9	78%	0.779	77%	0.77	S	S	*	*			trans	-142.3	141.9	153.7	42.6	0	0	0	0	110.7
531	H	23.4	Very low	26.3	Very low	181 Å²	181	142.2 Å²	142.2	84%	0.838	76%	0.759	S	S	*	*			trans	-67.1	135.3	169.7	-82.6	-113.1	0	0	0	110.1
532	C	23.6	Very low	26.7	Very low	116 Å²	116	134.5 Å²	134.5	78%	0.784	73%	0.729	S	S	*	*			trans	-141.3	73	163.5	-91.1	0	0	0	0	111.4	N534	C532-N534 PolarHBondContact O-N 3.33Å
533	T	24.2	Very low	27	Very low	123 Å²	123	138.3 Å²	138.3	76%	0.755	73%	0.731	S	S	*	*			trans	-68.2	100.2	157	44.3	0	0	0	0	108.8
534	N	24.6	Very low	27.8	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	71%	0.712	S	S	*	*			trans	-158.1	81.3	168.3	-99	-30.2	0	0	0	111	C532	C532-N534 PolarHBondContact O-N 3.33Å
535	Y	23.3	Very low	28.3	Very low	126 Å²	126	130.2 Å²	130.2	49%	0.494	68%	0.68	S	S	.	*			trans	-70.9	137.1	151.1	-92.7	-82.3	0	0	0	107.9	I537 N817 N819	Y535-I537 PolarHBondContact O-N 3.1Å; Y535-I537 VanDerWaalsContact O-N 3.11Å; Y535-N817 WeakPolarHBondContact CE2-OD1 3.36Å; Y535-N817 PolarHBondContact OH-OD1 2.93Å; Y535-N819 WeakPolarHBondContact CE2-ND2 3.1Å; Y535-N819 PolarHBondContact OH-ND2 3.1Å; Y535-N819 PolarHBondContact OH-OD1 2.71Å
536	P	27.3	Very low	29.3	Very low	114 Å²	114	123 Å²	123	74%	0.74	65%	0.647	S	S	*	*			trans	-61	118.8	167.5	26.8	-32.5	0	0	0	108.1	Q538	P536-Q538 PolarHBondContact O-N 2.99Å
537	I	27.3	Very low	29.7	Very low	139 Å²	139	116.2 Å²	116.2	71%	0.713	62%	0.616	S	S	*	*			trans	-59.1	113	178.2	-63.2	169	0	0	0	107.2	Y535 N539	Y535-I537 PolarHBondContact O-N 3.1Å; Y535-I537 VanDerWaalsContact O-N 3.11Å; I537-N539 PolarHBondContact O-N 2.71Å
538	Q	31.8	Very low	30.3	Very low	129 Å²	129	112.2 Å²	112.2	60%	0.603	59%	0.59	S	S	*	*			trans	-57.5	117.6	169.3	-74.3	-172.9	-7.2	0	0	107.4	P536 K540	P536-Q538 PolarHBondContact O-N 2.99Å; Q538-K540 PolarHBondContact O-N 3.24Å
539	N	31.1	Very low	30.8	Very low	104 Å²	104	106.4 Å²	106.4	56%	0.556	55%	0.554	S	S	*	*			trans	-51.6	137.7	-165	-95.3	-39.8	0	0	0	111.7	I537 A541 E593	I537-N539 PolarHBondContact O-N 2.71Å; N539-A541 PolarHBondContact O-N 2.83Å; N539-E593 PolarHBondContact ND2-OE1 2.95Å
540	K	30.4	Very low	31.7	Very low	208 Å²	208	100 Å²	100	90%	0.904	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	10.6	-174.9	-84.9	178	172.8	172.3	0	116.2	Q538	Q538-K540 PolarHBondContact O-N 3.24Å
541	A	28.7	Very low	31.9	Very low	54 Å²	54	95.9 Å²	95.9	45%	0.446	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5	-175.7	0	0	0	0	0	114.7	N539 R543 N544 N548	N539-A541 PolarHBondContact O-N 2.83Å; A541-R543 VanDerWaalsContact C-N 3.34Å; A541-R543 PolarHBondContact O-N 3.37Å; A541-N544 PolarHBondContact O-N 3.24Å; A541-N548 PolarHBondContact O-ND2 3.13Å
542	V	34.4	Very low	32.2	Very low	44 Å²	44	91.3 Å²	91.3	27%	0.267	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-60.9	-35.2	-172.3	-177.2	0	0	0	0	113.4	N544 F545	V542-N544 PolarHBondContact O-N 3.49Å; V542-F545 WeakPolarHBondContact O-CB 3.09Å; V542-F545 PolarHBondContact O-N 3.01Å
543	R	33.4	Very low	32.5	Very low	194 Å²	194	91 Å²	91	73%	0.732	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-58.3	-15.6	179.5	-66.4	-168.6	-173.5	-174.3	2.6	115.1	A541 D745	A541-R543 VanDerWaalsContact C-N 3.34Å; A541-R543 PolarHBondContact O-N 3.37Å; R543-D745 VanDerWaalsContact CG-OD1 3.27Å; R543-D745 WeakPolarHBondContact CG-OD1 3.47Å; R543-D745 IonicContact CZ-OD1 3.43Å; R543-D745 IonicContact CZ-OD2 3.63Å; R543-D745 IonicContact NE-OD1 2.69Å; R543-D745 PolarHBondContact NE-OD1 3.5Å; R543-D745 IonicContact NE-OD2 3.66Å; R543-D745 IonicContact NH2-OD1 3.31Å; R543-D745 PolarHBondContact NH2-OD1 3.48Å; R543-D745 IonicContact NH2-OD2 2.75Å; R543-D745 PolarHBondContact NH2-OD2 3.18Å
544	N	39.9	Very low	32.9	Very low	86 Å²	86	85.9 Å²	85.9	46%	0.46	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-106.2	21.3	175.7	-84.5	-13.4	0	0	0	112.9	A541 V542 H546 L547 N548	A541-N544 PolarHBondContact O-N 3.24Å; V542-N544 PolarHBondContact O-N 3.49Å; N544-H546 VanDerWaalsContact C-N 3.3Å; N544-H546 PolarHBondContact O-N 3.18Å; N544-H546 VanDerWaalsContact O-N 3.08Å; N544-L547 HydrophobicContact CB-CB 4.32Å; N544-L547 CarbonylContact O-C 3.52Å; N544-L547 WeakPolarHBondContact O-CA 3.44Å; N544-L547 PolarHBondContact O-N 3.17Å; N544-N548 WeakPolarHBondContact O-CB 3.2Å; N544-N548 PolarHBondContact O-N 3.13Å
545	F	39.1	Very low	33.2	Very low	38 Å²	38	81.2 Å²	81.2	17%	0.167	40%	0.401	C	S	.	.	H	α-helix	trans	-43.6	-48.2	-173.1	179.2	-104.9	0	0	0	114.8	V542 N548 L549 L707 I748	V542-F545 WeakPolarHBondContact O-CB 3.09Å; V542-F545 PolarHBondContact O-N 3.01Å; F545-N548 PolarHBondContact O-N 3.04Å; F545-L549 HydrophobicContact CE1-CD1 3.76Å; F545-L549 HydrophobicContact CE2-CD1 4.18Å; F545-L549 HydrophobicContact CE2-CG 4.28Å; F545-L549 HydrophobicContact CZ-CD1 3.51Å; F545-L549 HydrophobicContact CZ-CG 4.1Å; F545-L549 PolarHBondContact O-N 3.06Å; F545-L707 HydrophobicContact CE1-CB 4.34Å; F545-L707 HydrophobicContact CE1-CD1 4.48Å; F545-L707 HydrophobicContact CE2-CD1 4.21Å; F545-L707 HydrophobicContact CZ-CB 3.93Å; F545-L707 HydrophobicContact CZ-CD1 3.58Å; F545-L707 HydrophobicContact CZ-CG 4.19Å; F545-I748 HydrophobicContact CD1-CG2 4.13Å; F545-I748 HydrophobicContact CD2-CG2 4.33Å; F545-I748 HydrophobicContact CE1-CG2 4.18Å; F545-I748 HydrophobicContact CE2-CG2 4.37Å; F545-I748 HydrophobicContact CG-CG2 4.23Å; F545-I748 HydrophobicContact CZ-CG2 4.32Å
546	H	44	Very low	33.5	Very low	26 Å²	26	78.7 Å²	78.7	12%	0.12	40%	0.395	C	S	.	.	H	α-helix	trans	-57.8	-49.4	174	166.3	18.3	0	0	0	113.1	N544 N548 E550 K711 Y918	N544-H546 VanDerWaalsContact C-N 3.3Å; N544-H546 PolarHBondContact O-N 3.18Å; N544-H546 VanDerWaalsContact O-N 3.08Å; H546-N548 VanDerWaalsContact C-N 3.34Å; H546-E550 IonicContact CE1-OE1 3.87Å; H546-E550 PolarHBondContact CE1-OE1 2.87Å; H546-E550 IonicContact CE1-OE2 2.78Å; H546-E550 PolarHBondContact CE1-OE2 3.34Å; H546-E550 IonicContact ND1-OE1 3.34Å; H546-E550 PolarHBondContact ND1-OE1 3.33Å; H546-E550 VanDerWaalsContact ND1-OE1 3.15Å; H546-E550 IonicContact ND1-OE2 2.64Å; H546-K711 PolarHBondContact ND1-NZ 3.1Å; H546-Y918 AromaticContact CD2-CD1 3.6Å; H546-Y918 AromaticContact CD2-CE1 3.05Å; H546-Y918 WeakPolarHBondContact CD2-CE1 3.47Å; H546-Y918 AromaticContact CD2-CZ 3.58Å; H546-Y918 AromaticContact CE1-CE1 3.86Å; H546-Y918 AromaticContact CE1-CZ 3.54Å; H546-Y918 PolarHBondContact CE1-OH 2.99Å; H546-Y918 AromaticContact CG-CE1 3.77Å; H546-Y918 AromaticContact CG-CZ 3.99Å; H546-Y918 AromaticContact ND1-CZ 3.96Å; H546-Y918 PolarHBondContact ND1-OH 2.83Å; H546-Y918 AromaticContact NE2-CD1 3.49Å; H546-Y918 WeakPolarHBondContact NE2-CD1 3.46Å; H546-Y918 AromaticContact NE2-CE1 3.11Å; H546-Y918 WeakPolarHBondContact NE2-CE1 3.27Å; H546-Y918 AromaticContact NE2-CE2 3.85Å; H546-Y918 AromaticContact NE2-CZ 3.25Å
547	L	37.4	Very low	33.8	Very low	40 Å²	40	74.7 Å²	74.7	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-70.9	-30.4	179.2	-67.8	171.5	0	0	0	111.8	N544 E550 N551 H897	N544-L547 HydrophobicContact CB-CB 4.32Å; N544-L547 CarbonylContact O-C 3.52Å; N544-L547 WeakPolarHBondContact O-CA 3.44Å; N544-L547 PolarHBondContact O-N 3.17Å; L547-E550 CarbonylContact O-C 3.13Å; L547-E550 PolarHBondContact O-N 3.14Å; L547-N551 WeakPolarHBondContact O-CB 3.34Å; L547-N551 PolarHBondContact O-N 2.9Å; L547-N551 PolarHBondContact O-ND2 3.03Å; L547-H897 HydrophobicContact CD2-CB 4.33Å
548	N	34.7	Very low	34.2	Very low	51 Å²	51	74.1 Å²	74.1	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-76.6	-31	-178.7	-85.9	-23.3	0	0	0	113	A541 N544 F545 H546 E550 N551 Q552	A541-N548 PolarHBondContact O-ND2 3.13Å; N544-N548 WeakPolarHBondContact O-CB 3.2Å; N544-N548 PolarHBondContact O-N 3.13Å; F545-N548 PolarHBondContact O-N 3.04Å; H546-N548 VanDerWaalsContact C-N 3.34Å; N548-E550 PolarHBondContact O-N 3.39Å; N548-N551 CarbonylContact O-C 3.58Å; N548-N551 PolarHBondContact O-N 2.83Å; N548-Q552 WeakPolarHBondContact O-CG 3.36Å; N548-Q552 PolarHBondContact O-N 2.74Å
549	L	39.7	Very low	34.3	Very low	12 Å²	12	70.3 Å²	70.3	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-34.9	165.2	-86.2	174.2	0	0	0	111.9	F545 Y553 V704 I708	F545-L549 HydrophobicContact CE1-CD1 3.76Å; F545-L549 HydrophobicContact CE2-CD1 4.18Å; F545-L549 HydrophobicContact CE2-CG 4.28Å; F545-L549 HydrophobicContact CZ-CD1 3.51Å; F545-L549 HydrophobicContact CZ-CG 4.1Å; F545-L549 PolarHBondContact O-N 3.06Å; L549-Y553 WeakPolarHBondContact O-CD2 3.31Å; L549-Y553 WeakPolarHBondContact O-CE2 3.5Å; L549-V704 HydrophobicContact CD2-CB 4.4Å; L549-V704 HydrophobicContact CD2-CG1 3.81Å; L549-V704 HydrophobicContact CD2-CG2 4.13Å; L549-I708 HydrophobicContact CD1-CG1 4.49Å
550	E	39.3	Very low	34.5	Very low	36 Å²	36	67.7 Å²	67.7	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-80.8	-24.9	176.7	-77.9	151.2	-139.1	0	0	112.6	H546 L547 N548 K711	H546-E550 IonicContact CE1-OE1 3.87Å; H546-E550 PolarHBondContact CE1-OE1 2.87Å; H546-E550 IonicContact CE1-OE2 2.78Å; H546-E550 PolarHBondContact CE1-OE2 3.34Å; H546-E550 IonicContact ND1-OE1 3.34Å; H546-E550 PolarHBondContact ND1-OE1 3.33Å; H546-E550 VanDerWaalsContact ND1-OE1 3.15Å; H546-E550 IonicContact ND1-OE2 2.64Å; L547-E550 CarbonylContact O-C 3.13Å; L547-E550 PolarHBondContact O-N 3.14Å; N548-E550 PolarHBondContact O-N 3.39Å; E550-K711 IonicContact OE1-NZ 3.76Å; E550-K711 PolarHBondContact OE1-NZ 3.1Å
551	N	32.4	Very low	35	Very low	41 Å²	41	62.9 Å²	62.9	22%	0.219	32%	0.319	C	S	.	.	H	α-helix	trans	-90.5	-6	172.8	-64.4	-18.2	0	0	0	114.5	L547 N548 Y553 A554	L547-N551 WeakPolarHBondContact O-CB 3.34Å; L547-N551 PolarHBondContact O-N 2.9Å; L547-N551 PolarHBondContact O-ND2 3.03Å; N548-N551 CarbonylContact O-C 3.58Å; N548-N551 PolarHBondContact O-N 2.83Å; N551-Y553 PolarHBondContact O-N 2.93Å; N551-A554 HydrophobicContact CB-CB 4.13Å; N551-A554 WeakPolarHBondContact O-CA 3.43Å; N551-A554 WeakPolarHBondContact O-CB 3.21Å; N551-A554 PolarHBondContact O-N 2.79Å
552	Q	29.4	Very low	35.1	Very low	86 Å²	86	66.5 Å²	66.5	40%	0.402	33%	0.328	S	S	.	.	H	α-helix	trans	-66.3	-24.3	166.2	-85.4	173.2	-15.8	0	0	111.1	N548 A554	N548-Q552 WeakPolarHBondContact O-CG 3.36Å; N548-Q552 PolarHBondContact O-N 2.74Å; Q552-A554 PolarHBondContact O-N 2.91Å
553	Y	29.6	Very low	35.1	Very low	110 Å²	110	70 Å²	70	43%	0.431	34%	0.336	S	S	.	.	H	α-helix	trans	-82.2	7.5	164.7	-54	-84	0	0	0	113.5	L549 N551 I556 R896	L549-Y553 WeakPolarHBondContact O-CD2 3.31Å; L549-Y553 WeakPolarHBondContact O-CE2 3.5Å; N551-Y553 PolarHBondContact O-N 2.93Å; Y553-I556 HydrophobicContact CD1-CD1 4.21Å; Y553-R896 PolarHBondContact O-NH1 3.31Å
554	A	32.9	Very low	35.3	Very low	14 Å²	14	63 Å²	63	12%	0.116	32%	0.317	C	S	.	.	H	α-helix	trans	-90.4	-37.6	171	0	0	0	0	0	112.4	N551 Q552 I556 G557 Q558 R896	N551-A554 HydrophobicContact CB-CB 4.13Å; N551-A554 WeakPolarHBondContact O-CA 3.43Å; N551-A554 WeakPolarHBondContact O-CB 3.21Å; N551-A554 PolarHBondContact O-N 2.79Å; Q552-A554 PolarHBondContact O-N 2.91Å; A554-I556 PolarHBondContact O-N 3.5Å; A554-G557 PolarHBondContact O-N 2.63Å; A554-G557 VanDerWaalsContact O-N 3.14Å; A554-Q558 PolarHBondContact O-N 2.73Å; A554-R896 VanDerWaalsContact CB-NH2 3.28Å
555	T	30.5	Very low	35.1	Very low	54 Å²	54	61.7 Å²	61.7	33%	0.331	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-32.7	178.4	-30.6	0	0	0	0	112.1	G557 Q558 L559	T555-G557 VanDerWaalsContact C-N 3.34Å; T555-G557 PolarHBondContact O-N 3.05Å; T555-Q558 PolarHBondContact O-N 3.11Å; T555-L559 PolarHBondContact O-N 3.47Å
556	I	30.1	Very low	34.8	Very low	73 Å²	73	63.7 Å²	63.7	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-65.8	-37.3	177.8	-47.1	173.7	0	0	0	110.8	E209 Y553 A554 Q558 L559 D560	E209-I556 WeakPolarHBondContact OE1-CB 3.37Å; E209-I556 VanDerWaalsContact OE1-CG2 3.3Å; E209-I556 WeakPolarHBondContact OE1-CG2 3.36Å; E209-I556 WeakPolarHBondContact OE2-CG2 3.49Å; Y553-I556 HydrophobicContact CD1-CD1 4.21Å; A554-I556 PolarHBondContact O-N 3.5Å; I556-Q558 PolarHBondContact O-N 3Å; I556-L559 WeakPolarHBondContact O-CA 3.39Å; I556-L559 WeakPolarHBondContact O-CB 3.44Å; I556-L559 PolarHBondContact O-N 3.28Å; I556-D560 PolarHBondContact O-N 2.99Å
557	G	32.8	Very low	34.5	Very low	29 Å²	29	71 Å²	71	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-72.5	-27.7	176.1	0	0	0	0	0	113.4	E209 A554 T555 L559	E209-G557 WeakPolarHBondContact OE1-CA 3.41Å; E209-G557 PolarHBondContact OE1-N 3.12Å; A554-G557 PolarHBondContact O-N 2.63Å; A554-G557 VanDerWaalsContact O-N 3.14Å; T555-G557 VanDerWaalsContact C-N 3.34Å; T555-G557 PolarHBondContact O-N 3.05Å; G557-L559 VanDerWaalsContact C-N 3.32Å
558	Q	36.2	Very low	34.6	Very low	128 Å²	128	75.9 Å²	75.9	60%	0.598	38%	0.379	S	S	*	.	H	α-helix	trans	-72.6	-29.5	167.5	-67.1	176.9	-16.4	0	0	111.3	A554 T555 I556 D560 Q561 M562	A554-Q558 PolarHBondContact O-N 2.73Å; T555-Q558 PolarHBondContact O-N 3.11Å; I556-Q558 PolarHBondContact O-N 3Å; Q558-D560 VanDerWaalsContact C-N 3.3Å; Q558-D560 PolarHBondContact O-N 3.06Å; Q558-Q561 WeakPolarHBondContact O-CB 3.37Å; Q558-Q561 PolarHBondContact O-N 2.97Å; Q558-Q561 VanDerWaalsContact O-N 3.14Å; Q558-M562 WeakPolarHBondContact O-CG 3.36Å; Q558-M562 PolarHBondContact O-N 3.1Å
559	L	34.2	Very low	34.4	Very low	48 Å²	48	80 Å²	80	25%	0.251	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-30.6	174	-121.8	125.8	0	0	0	112.7	T555 I556 G557 R563 T585	T555-L559 PolarHBondContact O-N 3.47Å; I556-L559 WeakPolarHBondContact O-CA 3.39Å; I556-L559 WeakPolarHBondContact O-CB 3.44Å; I556-L559 PolarHBondContact O-N 3.28Å; G557-L559 VanDerWaalsContact C-N 3.32Å; L559-R563 VanDerWaalsContact O-CB 3.24Å; L559-R563 WeakPolarHBondContact O-CB 3.16Å; L559-R563 WeakPolarHBondContact O-CG 3.46Å; L559-R563 PolarHBondContact O-N 3.15Å; L559-T585 HydrophobicContact CD1-CG2 3.43Å; L559-T585 VanDerWaalsContact CD1-CG2 3.43Å; L559-T585 HydrophobicContact CD2-CG2 4.28Å
560	D	35.6	Very low	33.9	Very low	49 Å²	49	83.7 Å²	83.7	26%	0.262	43%	0.427	S	S	.	.	H	α-helix	trans	-68.5	-38.8	169.1	-92.4	-38.4	0	0	0	112.7	R213 I556 Q558 R563 S564	R213-D560 IonicContact CZ-OD2 2.64Å; R213-D560 IonicContact NE-OD2 3.08Å; R213-D560 IonicContact NH2-OD1 3.89Å; R213-D560 PolarHBondContact NH2-OD1 3.47Å; R213-D560 VanDerWaalsContact NH2-OD1 3.08Å; R213-D560 IonicContact NH2-OD2 3.94Å; R213-D560 PolarHBondContact NH2-OD2 3.27Å; I556-D560 PolarHBondContact O-N 2.99Å; Q558-D560 VanDerWaalsContact C-N 3.3Å; Q558-D560 PolarHBondContact O-N 3.06Å; D560-R563 PolarHBondContact O-N 3.49Å; D560-S564 VanDerWaalsContact O-CB 3.29Å; D560-S564 WeakPolarHBondContact O-CB 3.29Å; D560-S564 PolarHBondContact O-N 3.31Å
561	Q	41.2	Very low	33.4	Very low	108 Å²	108	87.8 Å²	87.8	51%	0.505	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-44.9	173.5	-174.1	62.3	46.3	0	0	110.3	Q558 R563 S564 D565	Q558-Q561 WeakPolarHBondContact O-CB 3.37Å; Q558-Q561 PolarHBondContact O-N 2.97Å; Q558-Q561 VanDerWaalsContact O-N 3.14Å; Q561-R563 PolarHBondContact O-N 3.32Å; Q561-S564 VanDerWaalsContact O-CB 3.31Å; Q561-S564 WeakPolarHBondContact O-CB 3.49Å; Q561-S564 PolarHBondContact O-N 3.4Å; Q561-D565 PolarHBondContact NE2-OD1 3.33Å; Q561-D565 PolarHBondContact NE2-OD2 3Å; Q561-D565 PolarHBondContact O-N 3.08Å
562	M	30.4	Very low	33.2	Very low	130 Å²	130	91 Å²	91	64%	0.64	48%	0.482	S	S	*	.	H	α-helix	trans	-66.3	-35.4	174.4	-64.5	-169.8	79.9	0	0	112.5	Q558 S564 D565 C566	Q558-M562 WeakPolarHBondContact O-CG 3.36Å; Q558-M562 PolarHBondContact O-N 3.1Å; M562-S564 VanDerWaalsContact C-N 3.35Å; M562-D565 PolarHBondContact O-N 3.38Å; M562-C566 VanDerWaalsContact O-CB 3.26Å; M562-C566 WeakPolarHBondContact O-CB 3.24Å; M562-C566 PolarHBondContact O-N 3.02Å; M562-C566 PolarHBondContact O-SG 2.89Å
563	R	34.9	Very low	33.2	Very low	116 Å²	116	92 Å²	92	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-36.1	171.3	-79.5	168.5	169.1	-150.7	-9.4	112.2	L559 D560 Q561 K567 C579	L559-R563 VanDerWaalsContact O-CB 3.24Å; L559-R563 WeakPolarHBondContact O-CB 3.16Å; L559-R563 WeakPolarHBondContact O-CG 3.46Å; L559-R563 PolarHBondContact O-N 3.15Å; D560-R563 PolarHBondContact O-N 3.49Å; Q561-R563 PolarHBondContact O-N 3.32Å; R563-K567 VanDerWaalsContact O-CB 3.3Å; R563-K567 WeakPolarHBondContact O-CB 3.26Å; R563-K567 VanDerWaalsContact O-CG 3.29Å; R563-K567 WeakPolarHBondContact O-CG 3.17Å; R563-K567 PolarHBondContact O-N 3.34Å; R563-C579 PolarHBondContact NH2-O 2.79Å
564	S	37	Very low	33.1	Very low	47 Å²	47	92.3 Å²	92.3	33%	0.329	50%	0.499	S	S	.	.	H	α-helix	trans	-65.3	-44.2	173.4	175.8	0	0	0	0	111.4	D560 Q561 M562 K567 K568	D560-S564 VanDerWaalsContact O-CB 3.29Å; D560-S564 WeakPolarHBondContact O-CB 3.29Å; D560-S564 PolarHBondContact O-N 3.31Å; Q561-S564 VanDerWaalsContact O-CB 3.31Å; Q561-S564 WeakPolarHBondContact O-CB 3.49Å; Q561-S564 PolarHBondContact O-N 3.4Å; M562-S564 VanDerWaalsContact C-N 3.35Å; S564-K567 WeakPolarHBondContact O-CB 3.31Å; S564-K567 PolarHBondContact O-N 3.26Å; S564-K568 WeakPolarHBondContact O-CG 3.4Å; S564-K568 PolarHBondContact O-N 3.35Å; S564-K568 PolarHBondContact OG-NZ 2.82Å
565	D	36.9	Very low	33.1	Very low	59 Å²	59	100.7 Å²	100.7	32%	0.316	53%	0.533	S	S	.	.	H	α-helix	trans	-80.5	-33	-176.5	-63.1	-32.5	0	0	0	112.4	Q561 M562 K567 K568 I569	Q561-D565 PolarHBondContact NE2-OD1 3.33Å; Q561-D565 PolarHBondContact NE2-OD2 3Å; Q561-D565 PolarHBondContact O-N 3.08Å; M562-D565 PolarHBondContact O-N 3.38Å; D565-K567 VanDerWaalsContact C-N 3.33Å; D565-K567 PolarHBondContact O-N 3.07Å; D565-K568 WeakPolarHBondContact O-CB 3.27Å; D565-K568 PolarHBondContact O-N 2.97Å; D565-K568 VanDerWaalsContact O-N 3.1Å; D565-K568 IonicContact OD1-NZ 2.67Å; D565-K568 PolarHBondContact OD1-NZ 3.44Å; D565-I569 WeakPolarHBondContact O-CG1 3.5Å; D565-I569 PolarHBondContact O-N 3.42Å
566	C	31.6	Very low	33.1	Very low	80 Å²	80	107.2 Å²	107.2	54%	0.541	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-36.1	164.5	-71.2	0	0	0	0	112.2	M562 K568 I569 S570	M562-C566 VanDerWaalsContact O-CB 3.26Å; M562-C566 WeakPolarHBondContact O-CB 3.24Å; M562-C566 PolarHBondContact O-N 3.02Å; M562-C566 PolarHBondContact O-SG 2.89Å; C566-K568 PolarHBondContact O-N 3.34Å; C566-I569 CarbonylContact O-C 3.53Å; C566-I569 VanDerWaalsContact O-C 3.22Å; C566-I569 PolarHBondContact O-N 2.92Å; C566-I569 VanDerWaalsContact O-O 3.06Å; C566-S570 PolarHBondContact O-OG 3.08Å; C566-S570 VanDerWaalsContact O-OG 3.09Å
567	K	37	Very low	33.2	Very low	179 Å²	179	110.5 Å²	110.5	78%	0.778	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-16	172.2	-85.7	-178.9	174.1	-175.4	0	114	R563 S564 D565	R563-K567 VanDerWaalsContact O-CB 3.3Å; R563-K567 WeakPolarHBondContact O-CB 3.26Å; R563-K567 VanDerWaalsContact O-CG 3.29Å; R563-K567 WeakPolarHBondContact O-CG 3.17Å; R563-K567 PolarHBondContact O-N 3.34Å; S564-K567 WeakPolarHBondContact O-CB 3.31Å; S564-K567 PolarHBondContact O-N 3.26Å; D565-K567 VanDerWaalsContact C-N 3.33Å; D565-K567 PolarHBondContact O-N 3.07Å
568	K	39.4	Very low	33.1	Very low	143 Å²	143	114.9 Å²	114.9	62%	0.622	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-10	171	-62.9	164.1	-160.2	161.1	0	112.7	S564 D565 C566	S564-K568 WeakPolarHBondContact O-CG 3.4Å; S564-K568 PolarHBondContact O-N 3.35Å; S564-K568 PolarHBondContact OG-NZ 2.82Å; D565-K568 WeakPolarHBondContact O-CB 3.27Å; D565-K568 PolarHBondContact O-N 2.97Å; D565-K568 VanDerWaalsContact O-N 3.1Å; D565-K568 IonicContact OD1-NZ 2.67Å; D565-K568 PolarHBondContact OD1-NZ 3.44Å; C566-K568 PolarHBondContact O-N 3.34Å
569	I	31.9	Very low	32.7	Very low	137 Å²	137	112.6 Å²	112.6	70%	0.703	59%	0.588	S	S	*	*	S	Bend	trans	-123.3	71	-179.8	-52.6	171.4	0	0	0	107.8	D565 C566	D565-I569 WeakPolarHBondContact O-CG1 3.5Å; D565-I569 PolarHBondContact O-N 3.42Å; C566-I569 CarbonylContact O-C 3.53Å; C566-I569 VanDerWaalsContact O-C 3.22Å; C566-I569 PolarHBondContact O-N 2.92Å; C566-I569 VanDerWaalsContact O-O 3.06Å
570	S	28	Very low	32.7	Very low	91 Å²	91	115.2 Å²	115.2	64%	0.636	61%	0.611	S	S	*	*			trans	-147.1	90.1	177.9	-71.4	0	0	0	0	110.6	C566	C566-S570 PolarHBondContact O-OG 3.08Å; C566-S570 VanDerWaalsContact O-OG 3.09Å
571	P	28.7	Very low	32.4	Very low	121 Å²	121	115.6 Å²	115.6	79%	0.786	62%	0.617	S	S	*	*			trans	-59.6	156.8	162.4	-18.6	32.5	0	0	0	110.8	N573	P571-N573 PolarHBondContact O-N 2.78Å
572	S	28.6	Very low	31.9	Very low	108 Å²	108	115.4 Å²	115.4	76%	0.755	63%	0.625	S	S	*	*			trans	-61.3	124.6	178.7	49.9	0	0	0	0	112.9
573	N	29.5	Very low	31.9	Very low	108 Å²	108	113.4 Å²	113.4	58%	0.578	62%	0.62	S	S	*	*				-176.4	111.8	123.6	-91.7	-12	0	0	0	113.8	P571 K575	P571-N573 PolarHBondContact O-N 2.78Å; N573-K575 PolarHBondContact O-N 3.43Å
574	N	27.4	Very low	31.8	Very low	116 Å²	116	112.6 Å²	112.6	62%	0.62	62%	0.623	S	S	*	*			trans	28.3	72.8	141.9	-58.9	-10.2	0	0	0	119.8	H635	N574-H635 PolarHBondContact ND2-NE2 2.85Å
575	K	33.2	Very low	31.5	Very low	191 Å²	191	112.5 Å²	112.5	83%	0.83	62%	0.621	S	S	*	*			trans	-159.8	113.8	141.1	-106.8	149.2	-169.8	172.8	0	110.6	N573 L577	N573-K575 PolarHBondContact O-N 3.43Å; K575-L577 PolarHBondContact O-N 3.33Å; K575-L577 VanDerWaalsContact O-N 3.1Å
576	K	29.7	Very low	31.2	Very low	190 Å²	190	112.6 Å²	112.6	83%	0.826	62%	0.621	S	S	*	*			trans	-81.4	87.4	-176.8	-170.6	-176.9	177.2	-170	0	110
577	L	34	Very low	31.3	Very low	142 Å²	142	113.8 Å²	113.8	74%	0.743	62%	0.618	S	S	*	*			trans	-72.6	121.8	169.7	-102.7	70.3	0	0	0	110	K575 C579	K575-L577 PolarHBondContact O-N 3.33Å; K575-L577 VanDerWaalsContact O-N 3.1Å; L577-C579 PolarHBondContact O-N 2.73Å; L577-C579 VanDerWaalsContact O-N 3.16Å
578	D	29.8	Very low	31	Very low	121 Å²	121	108.8 Å²	108.8	65%	0.647	61%	0.605	S	S	*	*			trans	-78.1	97.7	173.2	-79.5	-43.6	0	0	0	110.7	S580	D578-S580 PolarHBondContact O-N 3.4Å
579	C	28.6	Very low	30.7	Very low	80 Å²	80	105.7 Å²	105.7	54%	0.541	60%	0.595	S	S	.	*			trans	-72.2	33.5	179.3	-60.3	0	0	0	0	113.9	R563 L577	R563-C579 PolarHBondContact NH2-O 2.79Å; L577-C579 PolarHBondContact O-N 2.73Å; L577-C579 VanDerWaalsContact O-N 3.16Å
580	S	33.3	Very low	30.7	Very low	104 Å²	104	103.5 Å²	103.5	73%	0.727	59%	0.585	S	S	*	*			trans	-97	-4.8	-164	-53.5	0	0	0	0	114.5	D578	D578-S580 PolarHBondContact O-N 3.4Å
581	S	29.4	Very low	31	Very low	56 Å²	56	104.2 Å²	104.2	39%	0.392	58%	0.581	S	S	.	*			trans	-104.8	129.1	-179.8	-179.5	0	0	0	0	112.2	V583	S581-V583 PolarHBondContact O-N 3.37Å; S581-V583 PolarHBondContact OG-N 3.32Å
582	P	31.1	Very low	31.2	Very low	104 Å²	104	102.4 Å²	102.4	68%	0.675	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-70.6	-16.4	178.4	29.3	-35.1	0	0	0	113.6	I584 T585	P582-I584 VanDerWaalsContact C-N 3.27Å; P582-I584 PolarHBondContact O-N 2.9Å; P582-T585 WeakPolarHBondContact O-CB 3.42Å; P582-T585 PolarHBondContact O-N 3.05Å; P582-T585 PolarHBondContact O-OG1 2.88Å
583	V	29.7	Very low	31.4	Very low	88 Å²	88	102.1 Å²	102.1	53%	0.533	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-62.7	-29.9	-173	-178.6	0	0	0	0	113	S581 T585	S581-V583 PolarHBondContact O-N 3.37Å; S581-V583 PolarHBondContact OG-N 3.32Å; V583-T585 VanDerWaalsContact C-N 3.26Å; V583-T585 PolarHBondContact O-N 2.64Å
584	I	32	Very low	31.8	Very low	99 Å²	99	104.3 Å²	104.3	51%	0.508	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-70.8	-23.6	-176.4	-59.7	172.4	0	0	0	111.8	P582 L586 Q587	P582-I584 VanDerWaalsContact C-N 3.27Å; P582-I584 PolarHBondContact O-N 2.9Å; I584-L586 PolarHBondContact O-N 2.98Å; I584-Q587 WeakPolarHBondContact O-CB 3.37Å; I584-Q587 PolarHBondContact O-N 2.9Å
585	T	31.7	Very low	32	Very low	45 Å²	45	105.6 Å²	105.6	28%	0.276	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-38.8	-168.1	-39.9	0	0	0	0	113.8	L559 P582 V583 Q587 C588	L559-T585 HydrophobicContact CD1-CG2 3.43Å; L559-T585 VanDerWaalsContact CD1-CG2 3.43Å; L559-T585 HydrophobicContact CD2-CG2 4.28Å; P582-T585 WeakPolarHBondContact O-CB 3.42Å; P582-T585 PolarHBondContact O-N 3.05Å; P582-T585 PolarHBondContact O-OG1 2.88Å; V583-T585 VanDerWaalsContact C-N 3.26Å; V583-T585 PolarHBondContact O-N 2.64Å; T585-Q587 PolarHBondContact O-N 2.83Å; T585-C588 PolarHBondContact O-N 2.88Å
586	L	31.7	Very low	32	Very low	62 Å²	62	100.2 Å²	100.2	33%	0.325	55%	0.548	S	S	.	.	H	α-helix	trans	-68.7	-24.5	179.2	-74.8	164.2	0	0	0	112.7	I584 C588 N590 T697	I584-L586 PolarHBondContact O-N 2.98Å; L586-C588 VanDerWaalsContact C-N 3.34Å; L586-N590 PolarHBondContact O-N 3.33Å; L586-N590 PolarHBondContact O-ND2 3.15Å; L586-T697 HydrophobicContact CD1-CG2 3.64Å
587	Q	32.4	Very low	32.1	Very low	104 Å²	104	97.9 Å²	97.9	49%	0.486	54%	0.544	S	S	.	.	H	α-helix	trans	-74.9	-26.9	179.5	-145.5	161	15	0	0	111.7	I584 T585 L591	I584-Q587 WeakPolarHBondContact O-CB 3.37Å; I584-Q587 PolarHBondContact O-N 2.9Å; T585-Q587 PolarHBondContact O-N 2.83Å; Q587-L591 WeakPolarHBondContact O-CG 3.27Å
588	C	30.3	Very low	32	Very low	74 Å²	74	101.9 Å²	101.9	50%	0.5	55%	0.55	S	S	.	.	H	α-helix	trans	-76.7	-39.6	174.4	-63.5	0	0	0	0	113.2	T585 L586 N590 L591 T592	T585-C588 PolarHBondContact O-N 2.88Å; L586-C588 VanDerWaalsContact C-N 3.34Å; C588-N590 VanDerWaalsContact C-N 3.33Å; C588-N590 PolarHBondContact O-N 2.87Å; C588-L591 WeakPolarHBondContact O-CB 3.37Å; C588-L591 PolarHBondContact O-N 3.38Å; C588-T592 PolarHBondContact O-N 3.42Å
589	L	34.1	Very low	32	Very low	78 Å²	78	103.4 Å²	103.4	41%	0.408	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-40.2	179	-69.8	168.4	0	0	0	111.8	L591 T592 E593	L589-L591 PolarHBondContact O-N 2.92Å; L589-T592 PolarHBondContact O-N 2.86Å; L589-T592 PolarHBondContact O-OG1 3.04Å; L589-E593 PolarHBondContact O-N 3.32Å
590	N	31.7	Very low	31.9	Very low	92 Å²	92	107.2 Å²	107.2	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-63.2	-14.8	172.6	-96.6	-62.9	0	0	0	114.5	L586 C588 K594	L586-N590 PolarHBondContact O-N 3.33Å; L586-N590 PolarHBondContact O-ND2 3.15Å; C588-N590 VanDerWaalsContact C-N 3.33Å; C588-N590 PolarHBondContact O-N 2.87Å; N590-K594 WeakPolarHBondContact O-CD 3.43Å; N590-K594 WeakPolarHBondContact O-CG 3.46Å
591	L	33.6	Very low	31.7	Very low	106 Å²	106	109.2 Å²	109.2	56%	0.555	57%	0.574	S	S	*	*	H	α-helix	trans	-91.4	-34	174.6	-72.4	166	0	0	0	111.9	Q587 C588 L589 Q595	Q587-L591 WeakPolarHBondContact O-CG 3.27Å; C588-L591 WeakPolarHBondContact O-CB 3.37Å; C588-L591 PolarHBondContact O-N 3.38Å; L589-L591 PolarHBondContact O-N 2.92Å; L591-Q595 PolarHBondContact O-N 2.86Å
592	T	34.2	Very low	31.7	Very low	83 Å²	83	113.6 Å²	113.6	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-72.6	-40.5	178.2	45.6	0	0	0	0	112.9	C588 L589 K594 Q595 S596	C588-T592 PolarHBondContact O-N 3.42Å; L589-T592 PolarHBondContact O-N 2.86Å; L589-T592 PolarHBondContact O-OG1 3.04Å; T592-K594 PolarHBondContact O-N 3.02Å; T592-Q595 PolarHBondContact O-N 3.2Å; T592-S596 PolarHBondContact O-N 3.01Å
593	E	33	Very low	31.5	Very low	101 Å²	101	116.9 Å²	116.9	47%	0.472	60%	0.603	S	S	.	*	H	α-helix	trans	-64.1	-31.4	175.5	-69.9	-169.7	128.5	0	0	112	N539 L589 Q595 S596	N539-E593 PolarHBondContact ND2-OE1 2.95Å; L589-E593 PolarHBondContact O-N 3.32Å; E593-Q595 VanDerWaalsContact C-N 3.26Å; E593-Q595 PolarHBondContact O-N 3.18Å; E593-S596 PolarHBondContact O-N 3.46Å
594	K	36.3	Very low	31.4	Very low	154 Å²	154	118.4 Å²	118.4	67%	0.67	61%	0.613	S	S	*	*	H	α-helix	trans	-74.4	-9.1	174.1	-73.4	179.8	-179.4	169.3	0	114.5	N590 T592	N590-K594 WeakPolarHBondContact O-CD 3.43Å; N590-K594 WeakPolarHBondContact O-CG 3.46Å; T592-K594 PolarHBondContact O-N 3.02Å
595	Q	33.3	Very low	31.1	Very low	143 Å²	143	120.8 Å²	120.8	67%	0.668	63%	0.627	S	S	*	*	H	α-helix	trans	-102.6	-29.8	171.7	-68.2	-177.1	8.4	0	0	112.4	L591 T592 E593 N597	L591-Q595 PolarHBondContact O-N 2.86Å; T592-Q595 PolarHBondContact O-N 3.2Å; E593-Q595 VanDerWaalsContact C-N 3.26Å; E593-Q595 PolarHBondContact O-N 3.18Å; Q595-N597 VanDerWaalsContact C-N 3.32Å; Q595-N597 PolarHBondContact O-N 3.34Å
596	S	32.1	Very low	31	Very low	78 Å²	78	124.9 Å²	124.9	55%	0.545	65%	0.651	S	S	.	*	H	α-helix	trans	-63.1	-36.3	176.9	-161.4	0	0	0	0	112.8	T592 E593 R598	T592-S596 PolarHBondContact O-N 3.01Å; E593-S596 PolarHBondContact O-N 3.46Å; S596-R598 PolarHBondContact O-N 3.45Å
597	N	32.4	Very low	30.6	Very low	142 Å²	142	128.2 Å²	128.2	76%	0.759	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	37.4	-174.2	-63.7	-15.2	0	0	0	113.9	Q595	Q595-N597 VanDerWaalsContact C-N 3.32Å; Q595-N597 PolarHBondContact O-N 3.34Å
598	R	30.4	Very low	30.4	Very low	226 Å²	226	128.2 Å²	128.2	85%	0.853	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.5	12.6	-179.4	-91.3	-171.8	171.2	172.5	-2.4	114.9	S596	S596-R598 PolarHBondContact O-N 3.45Å
599	L	30.2	Very low	30.2	Very low	152 Å²	152	130.7 Å²	130.7	80%	0.796	70%	0.698	S	S	*	*	S	Bend	trans	-130.9	25	-172.4	-80.4	167.8	0	0	0	114.6
600	D	27.1	Very low	29.7	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	71%	0.714	S	S	*	*	S	Bend	trans	-129	59.7	175	-83.7	-55.4	0	0	0	111.3
601	D	28.3	Very low	29.4	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	72%	0.724	S	S	*	*	S	Bend	trans	-158.4	140.2	167.5	-113.4	-33.6	0	0	0	111.2
602	N	29.5	Very low	29.2	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	74%	0.739	S	S	*	*			trans	69.2	76.4	177.5	-49.1	-76.8	0	0	0	118.1
603	I	27.1	Very low	28.8	Very low	173 Å²	173	140.9 Å²	140.9	89%	0.887	75%	0.751	S	S	*	*			trans	-114.6	92.3	150.8	-59.5	-179.2	0	0	0	108.9
604	V	28.4	Very low	28.5	Very low	120 Å²	120	143 Å²	143	73%	0.727	77%	0.765	S	S	*	*			trans	-140.9	110.9	173.9	-179.3	0	0	0	0	111.1
605	N	25.5	Very low	28	Very low	150 Å²	150	140.2 Å²	140.2	80%	0.802	77%	0.765	S	S	*	*			trans	76.6	144.8	150	-71.6	-10.5	0	0	0	123.8
606	V	28.9	Very low	27.7	Very low	131 Å²	131	140 Å²	140	79%	0.794	77%	0.767	S	S	*	*			trans	76.2	94.2	152.9	175.9	0	0	0	0	118.6
607	T	24.1	Very low	27.4	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	78%	0.775	S	S	*	*			trans	-44.2	137.8	146.6	49.2	0	0	0	0	115.3
608	S	27.4	Very low	27.2	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	78%	0.775	S	S	*	*				-179.2	123.3	124.7	57.2	0	0	0	0	115.5
609	V	26.3	Very low	27	Very low	125 Å²	125	139.1 Å²	139.1	76%	0.758	77%	0.768	S	S	*	*				50.5	105.5	128.5	-173.4	0	0	0	0	120.4
610	N	24.3	Very low	26.8	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	77%	0.767	S	S	*	*			trans	54.5	144.9	132.5	-66.3	12.2	0	0	0	124.7
611	N	25.2	Very low	26.7	Very low	133 Å²	133	137.6 Å²	137.6	71%	0.711	76%	0.764	S	S	*	*			trans	66.4	115.5	150.9	-60.4	0.8	0	0	0	119
612	N	29.6	Very low	26.5	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	76%	0.764	S	S	*	*				-169.6	161	93.4	-93	-33.1	0	0	0	112.6
613	D	26.1	Very low	26.1	Very low	140 Å²	140	138 Å²	138	75%	0.749	76%	0.763	S	S	*	*			trans	-83.4	140.8	178.6	-90.1	-62.8	0	0	0	113.3
614	N	25.7	Very low	25.9	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	76%	0.758	S	S	*	*			trans	60.6	149.2	143.5	-64.4	-48.9	0	0	0	122.8
615	S	25.7	Very low	25.7	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	77%	0.767	S	S	*	*			trans	90	108.7	147.1	142.3	0	0	0	0	120
616	I	28.3	Very low	25.6	Very low	138 Å²	138	141 Å²	141	71%	0.708	76%	0.764	S	S	*	*				84.4	102.2	126.8	-64.1	172.1	0	0	0	118.2
617	D	25.9	Very low	25.4	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	76%	0.76	S	S	*	*			trans	81	130.9	133	-62.4	6	0	0	0	124.2
618	N	27.1	Very low	25.3	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	76%	0.76	S	S	*	*			trans	94.6	121.3	140.1	-71.5	-24.5	0	0	0	122.9
619	E	25.5	Very low	25.2	Very low	154 Å²	154	140.8 Å²	140.8	72%	0.72	76%	0.761	S	S	*	*			trans	83.9	114.7	146.2	-58.7	-114.5	110.9	0	0	121.1
620	H	26	Very low	25.2	Very low	166 Å²	166	141.5 Å²	141.5	77%	0.769	76%	0.76	S	S	*	*			trans	47.5	83.6	133	-61.8	111	0	0	0	120.8
621	S	25	Very low	25.1	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	77%	0.769	S	S	*	*			trans	-163.9	135.8	130.8	-161.7	0	0	0	0	114.1
622	M	24.1	Very low	25.4	Very low	160 Å²	160	145.7 Å²	145.7	79%	0.788	77%	0.771	S	S	*	*			trans	34.3	130.3	153.6	-61.4	-61.7	172.8	0	0	122.6
623	N	22.9	Very low	25.1	Very low	143 Å²	143	143.6 Å²	143.6	77%	0.765	76%	0.76	S	S	*	*			trans	78.3	138.5	149.5	-65	-28.6	0	0	0	121.4
624	T	22.9	Very low	25.1	Very low	128 Å²	128	148.3 Å²	148.3	79%	0.785	77%	0.769	S	S	*	*			trans	61.8	98.1	160.3	55.1	0	0	0	0	120.2
625	R	23.6	Very low	25.1	Very low	239 Å²	239	146.7 Å²	146.7	90%	0.902	76%	0.756	S	S	*	*			trans	-161	132.2	133.7	-90.1	130.1	-163.9	-169.8	6.7	107.2
626	N	23.6	Very low	25.3	Very low	139 Å²	139	151.2 Å²	151.2	74%	0.743	77%	0.767	S	S	*	*				72.1	108.7	67.6	-98.6	2.1	0	0	0	115.5
627	I	23.4	Very low	25.4	Very low	140 Å²	140	149 Å²	149	72%	0.718	76%	0.761	S	S	*	*			trans	71.8	126.5	135.8	-60.7	170.6	0	0	0	118.9
628	S	23.6	Very low	25.5	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	77%	0.765	S	S	*	*			trans	58.3	122.2	157.2	-64.5	0	0	0	0	120.9
629	S	24.3	Very low	25.4	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	76%	0.757	S	S	*	*				-153.6	160.6	128.4	63.1	0	0	0	0	111.4
630	L	25.7	Very low	25.5	Very low	140 Å²	140	149.2 Å²	149.2	73%	0.733	76%	0.757	S	S	*	*			trans	66.7	67.7	163.8	-50.2	-177.6	0	0	0	118.7	I632	L630-I632 HydrophobicContact CD2-CD1 4.26Å; L630-I632 HydrophobicContact CD2-CG1 4.45Å
631	F	23.1	Very low	25.5	Very low	212 Å²	212	147 Å²	147	93%	0.93	76%	0.755	S	S	*	*				-100.3	143.6	119.9	-97.2	-95.4	0	0	0	107.8
632	I	30.7	Very low	25.4	Very low	146 Å²	146	148.8 Å²	148.8	75%	0.749	76%	0.755	S	S	*	*			trans	-122.7	123.1	170.4	-66.5	178.6	0	0	0	106.7	L630	L630-I632 HydrophobicContact CD2-CD1 4.26Å; L630-I632 HydrophobicContact CD2-CG1 4.45Å
633	D	24.3	Very low	25.5	Very low	120 Å²	120	146 Å²	146	64%	0.642	75%	0.747	S	S	*	*			trans	-71.8	147.5	174.8	-69.1	-70.1	0	0	0	111.5
634	Y	26.4	Very low	25.7	Very low	238 Å²	238	146.7 Å²	146.7	93%	0.933	75%	0.746	S	S	*	*				-160.6	138.5	124	-108.5	-71.7	0	0	0	109.8
635	H	26.1	Very low	25.8	Very low	112 Å²	112	146 Å²	146	52%	0.519	74%	0.737	S	S	.	*			trans	-141.2	128.7	-174.6	-141.7	-22.4	0	0	0	107.2	N574	N574-H635 PolarHBondContact ND2-NE2 2.85Å
636	Q	28.2	Very low	26.1	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	73%	0.725	S	S	*	*			trans	-171.9	159.4	143.2	-99.3	-165.4	-71.6	0	0	110
637	P	31.3	Very low	26.2	Very low	91 Å²	91	141.6 Å²	141.6	59%	0.591	72%	0.722	S	S	*	*			trans	-134.2	-177.8	-148.8	30.8	-6.9	0	0	0	115.9
638	H	27.2	Very low	26.4	Very low	169 Å²	169	142.6 Å²	142.6	78%	0.782	72%	0.723	S	S	*	*			trans	69.7	153.2	172.5	-67.3	-85.9	0	0	0	115.2
639	N	25.9	Very low	26.5	Very low	109 Å²	109	144.8 Å²	144.8	58%	0.583	72%	0.721	S	S	*	*			cis	-151.9	166.2	9.4	-142.7	20.5	0	0	0	114.1
640	E	27.4	Very low	26.7	Very low	156 Å²	156	145.6 Å²	145.6	73%	0.729	72%	0.721	S	S	*	*			trans	71.1	110.2	139.8	-96.9	154.4	-162.6	0	0	125
641	T	25.3	Very low	26.7	Very low	119 Å²	119	144.5 Å²	144.5	73%	0.73	72%	0.72	S	S	*	*				100.3	137.7	125.5	6.1	0	0	0	0	124.7
642	L	23.8	Very low	26.8	Very low	150 Å²	150	140.5 Å²	140.5	79%	0.785	70%	0.704	S	S	*	*			trans	100.7	96.4	135.4	-125.1	61.1	0	0	0	121.6
643	V	26.1	Very low	26.8	Very low	102 Å²	102	141.8 Å²	141.8	62%	0.618	71%	0.707	S	S	*	*				85.1	113.7	120.5	159.9	0	0	0	0	122.3
644	Q	26.8	Very low	26.9	Very low	158 Å²	158	142.7 Å²	142.7	74%	0.738	71%	0.709	S	S	*	*				61.3	153.5	129.2	-59.1	178.8	-5.7	0	0	121
645	N	25.7	Very low	27.1	Very low	114 Å²	114	139.2 Å²	139.2	61%	0.61	71%	0.706	S	S	*	*			cis	-165.7	174.4	-12.5	-107.2	3.8	0	0	0	111.2
646	H	29.9	Very low	27.4	Very low	137 Å²	137	143.2 Å²	143.2	63%	0.634	73%	0.725	S	S	*	*			trans	74.4	109	154.6	-64.5	-38.3	0	0	0	122.3
647	E	24.6	Very low	27.5	Very low	147 Å²	147	137.1 Å²	137.1	69%	0.687	71%	0.713	S	S	*	*				38.6	119.2	109.6	-64	137.5	-111.8	0	0	121.2
648	H	29	Very low	27.5	Very low	162 Å²	162	139.7 Å²	139.7	75%	0.75	72%	0.722	S	S	*	*				-175.2	122	95.7	-107.3	-77.7	0	0	0	114.6
649	E	25.6	Very low	27.7	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	73%	0.725	S	S	*	*				20.6	162.5	127.6	-145.9	177.6	-166.1	0	0	124.2
650	V	26.6	Very low	27.8	Very low	125 Å²	125	140 Å²	140	76%	0.758	73%	0.734	S	S	*	*			trans	82.4	131.4	161.8	-174.6	0	0	0	0	117.1
651	V	26.9	Very low	27.8	Very low	117 Å²	117	139.3 Å²	139.3	71%	0.709	74%	0.74	S	S	*	*			cis	-155.8	165.3	-21.8	118.3	0	0	0	0	109.8
652	E	25.7	Very low	27.8	Very low	127 Å²	127	142.3 Å²	142.3	59%	0.593	74%	0.743	S	S	*	*			trans	-23	151	168	-42.7	177.9	159.4	0	0	120.1
653	H	29.1	Very low	27.8	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.806	75%	0.746	S	S	*	*				-161.2	152.4	97.2	-95.7	-38.6	0	0	0	114
654	M	27.6	Very low	27.8	Very low	139 Å²	139	143.2 Å²	143.2	69%	0.685	75%	0.752	S	S	*	*			trans	-100.7	165	-169.5	-51.9	171.1	176.7	0	0	111.9
655	N	30.2	Very low	27.8	Very low	164 Å²	164	142 Å²	142	88%	0.877	75%	0.751	S	S	*	*				-173.1	166.5	102	-98.5	-72.6	0	0	0	112.7
656	E	31.6	Very low	27.8	Very low	196 Å²	196	142.1 Å²	142.1	92%	0.916	76%	0.76	S	S	*	*			trans	-137	170.8	-149.6	-175.4	172.3	-149.3	0	0	112.4
657	G	30.7	Very low	27.8	Very low	62 Å²	62	144.4 Å²	144.4	64%	0.639	77%	0.771	S	S	*	*			trans	138.2	139.2	166.5	0	0	0	0	0	113.2
658	D	32.6	Very low	27.9	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	78%	0.776	S	S	*	*			cis	-165.2	161.7	-6.2	-138.6	-29	0	0	0	110.7
659	N	31.7	Very low	27.7	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	78%	0.775	S	S	*	*			trans	142.8	132.4	148.3	-80.4	-68	0	0	0	114.7
660	V	27.3	Very low	27.8	Very low	126 Å²	126	144.3 Å²	144.3	76%	0.764	78%	0.78	S	S	*	*			trans	-114.4	134.9	-172.5	174.4	0	0	0	0	111.9
661	V	26.6	Very low	27.7	Very low	141 Å²	141	142.3 Å²	142.3	86%	0.855	77%	0.771	S	S	*	*			trans	-121.5	130.7	162	178.1	0	0	0	0	109.1
662	K	25.7	Very low	27.9	Very low	183 Å²	183	143.5 Å²	143.5	80%	0.796	77%	0.773	S	S	*	*			trans	-81	117.6	-175.1	-72.6	177.3	175.8	175	0	112.6
663	C	24.3	Very low	28	Very low	126 Å²	126	145.5 Å²	145.5	85%	0.851	79%	0.787	S	S	*	*			trans	-132.4	123	154	-79.5	0	0	0	0	108.5
664	I	26.3	Very low	27.9	Very low	145 Å²	145	141.1 Å²	141.1	74%	0.744	78%	0.781	S	S	*	*			trans	-126	113.6	-178	-54.2	173.3	0	0	0	109.3
665	N	25.9	Very low	28	Very low	133 Å²	133	141.4 Å²	141.4	71%	0.711	79%	0.786	S	S	*	*			trans	167.6	77.4	148	-88.1	-49.6	0	0	0	108.3	K427	K427-N665 PolarHBondContact NZ-OD1 3.15Å
666	S	27.2	Very low	28	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	78%	0.775	S	S	*	*			trans	-152.4	105.7	173.8	56.3	0	0	0	0	110.7
667	E	28.7	Very low	28	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.864	77%	0.768	S	S	*	*			trans	-151.4	81.5	172.2	-130	168	-127.5	0	0	109.8
668	I	28	Very low	27.8	Very low	157 Å²	157	141.3 Å²	141.3	81%	0.805	78%	0.778	S	S	*	*			trans	-126.4	94.3	156.4	-62.9	-178.7	0	0	0	105.4	F670	I668-F670 HydrophobicContact CG2-CD2 4.45Å; I668-F670 PolarHBondContact O-N 3.29Å
669	T	23.5	Very low	27.7	Very low	116 Å²	116	140 Å²	140	71%	0.712	78%	0.78	S	S	*	*			trans	-77.4	120.9	-174.1	-48.6	0	0	0	0	110.5
670	F	27	Very low	27.3	Very low	196 Å²	196	141.5 Å²	141.5	86%	0.86	78%	0.782	S	S	*	*			trans	-118	111.5	159.7	-94.3	-84.1	0	0	0	108.4	I668	I668-F670 HydrophobicContact CG2-CD2 4.45Å; I668-F670 PolarHBondContact O-N 3.29Å
671	S	25.1	Very low	27.5	Very low	82 Å²	82	145 Å²	145	57%	0.573	79%	0.79	S	S	*	*			trans	-98.1	168.9	177.1	64.4	0	0	0	0	111.4
672	N	30.5	Very low	27.5	Very low	142 Å²	142	147.9 Å²	147.9	76%	0.759	79%	0.791	S	S	*	*			trans	82.2	131.1	172.2	-43.3	-11.3	0	0	0	113.9
673	L	28.7	Very low	27.7	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	79%	0.793	S	S	*	*			cis	-152.3	173.6	-9	-146.2	67	0	0	0	109.6
674	A	26.9	Very low	27.8	Very low	83 Å²	83	148.4 Å²	148.4	69%	0.686	79%	0.793	S	S	*	*			trans	-110.8	-172.4	-169.3	0	0	0	0	0	114.4
675	N	28.8	Very low	28	Very low	145 Å²	145	146.1 Å²	146.1	78%	0.775	79%	0.79	S	S	*	*			trans	85.5	146.9	174.4	-64.8	39.6	0	0	0	116.3
676	D	32.1	Very low	28.1	Very low	122 Å²	122	147.9 Å²	147.9	65%	0.652	80%	0.796	S	S	*	*			cis	-142.9	-173.2	1.2	-133.9	-51.8	0	0	0	114.3
677	K	29.7	Very low	28	Very low	175 Å²	175	150.5 Å²	150.5	76%	0.761	80%	0.801	S	S	*	*			trans	-91.2	160.2	-157.2	-60.9	153.2	-173	167.6	0	117.7
678	S	26.9	Very low	28.2	Very low	123 Å²	123	148.8 Å²	148.8	86%	0.86	80%	0.796	S	S	*	*			trans	67.1	153.7	152.9	60.9	0	0	0	0	117.7
679	S	30.2	Very low	28.3	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	78%	0.779	S	S	*	*			cis	-128.7	176.8	15.2	59.4	0	0	0	0	114.7
680	E	24.8	Very low	28.9	Very low	191 Å²	191	148.3 Å²	148.3	89%	0.893	79%	0.787	S	S	*	*			trans	-80.7	139.9	-176.1	-52.2	172.7	120.7	0	0	113.1
681	E	29.6	Very low	29.3	Very low	201 Å²	201	142.9 Å²	142.9	94%	0.939	77%	0.77	S	S	*	*			trans	-157.5	159.5	134	-125.8	-179.4	174.7	0	0	112.3
682	K	27.7	Very low	29.9	Very low	200 Å²	200	142.9 Å²	142.9	87%	0.87	76%	0.763	S	S	*	*			trans	-88.6	137.4	-172	-65.1	167.5	178.3	166.1	0	112.5
683	V	30.1	Very low	30.5	Very low	138 Å²	138	139.2 Å²	139.2	84%	0.836	75%	0.746	S	S	*	*			trans	-157	144.7	130.1	150.4	0	0	0	0	108.1
684	Q	26.9	Very low	31.3	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	73%	0.73	S	S	*	*			trans	-85.7	135.3	177.6	-66.2	131.1	-67.7	0	0	112.8
685	S	29	Very low	32.6	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	72%	0.724	S	S	*	*			trans	-172.1	143.3	136.2	38.6	0	0	0	0	113.7
686	M	28	Very low	33.9	Very low	170 Å²	170	135.1 Å²	135.1	84%	0.837	72%	0.715	S	S	*	*			trans	42.2	87.8	153.1	-62.7	179.5	-73.9	0	0	119.2
687	N	26.3	Very low	35.5	Very low	170 Å²	170	131 Å²	131	91%	0.909	70%	0.695	S	S	*	*			trans	-111.6	112.9	148.8	-90.5	-50.1	0	0	0	109
688	I	32.5	Very low	37.5	Very low	150 Å²	150	129.8 Å²	129.8	77%	0.769	69%	0.69	S	S	*	*			trans	-112.2	150.2	168.4	-68.4	177	0	0	0	107.9	K690	I688-K690 PolarHBondContact O-N 2.83Å
689	S	29.7	Very low	39.5	Very low	65 Å²	65	126 Å²	126	46%	0.455	67%	0.666	S	S	.	*			trans	-46	120.9	-164.5	29.7	0	0	0	0	116.3	T691 D692	S689-T691 VanDerWaalsContact C-N 3.3Å; S689-T691 WeakPolarHBondContact CB-OG1 3.04Å; S689-D692 WeakPolarHBondContact CB-OD1 3.5Å; S689-D692 WeakPolarHBondContact CB-OD2 3.34Å; S689-D692 PolarHBondContact OG-OD2 2.9Å
690	K	36.8	Very low	41.5	Very low	198 Å²	198	124.3 Å²	124.3	86%	0.861	65%	0.645	S	S	*	*	S	Bend	trans	-86.6	0.5	156.8	-75.9	-175.8	177.5	175.4	0	112.9	I688	I688-K690 PolarHBondContact O-N 2.83Å
691	T	34.9	Very low	43.9	Very low	82 Å²	82	121.1 Å²	121.1	50%	0.503	63%	0.63	S	S	.	*	S	Bend	trans	-73.8	-41	-176.6	39	0	0	0	0	112.9	S689 T693 T694	S689-T691 VanDerWaalsContact C-N 3.3Å; S689-T691 WeakPolarHBondContact CB-OG1 3.04Å; T691-T693 PolarHBondContact O-N 3.23Å; T691-T694 PolarHBondContact O-N 3.3Å; T691-T694 PolarHBondContact O-OG1 3.49Å
692	D	38	Very low	46.1	Very low	82 Å²	82	115.2 Å²	115.2	44%	0.439	60%	0.602	S	S	.	*	H	α-helix	trans	-73.5	-35.9	-154.2	-48.2	-19.2	0	0	0	112	S689 T694 I695 D696	S689-D692 WeakPolarHBondContact CB-OD1 3.5Å; S689-D692 WeakPolarHBondContact CB-OD2 3.34Å; S689-D692 PolarHBondContact OG-OD2 2.9Å; D692-T694 PolarHBondContact O-N 2.85Å; D692-T694 VanDerWaalsContact O-N 3.12Å; D692-I695 PolarHBondContact O-N 3.04Å; D692-I695 VanDerWaalsContact O-N 3.12Å; D692-D696 PolarHBondContact O-N 3.17Å
693	T	42.1	Very low	48.6	Very low	65 Å²	65	107.3 Å²	107.3	40%	0.399	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-19.3	177.5	49.7	0	0	0	0	114.4	T691 T697	T691-T693 PolarHBondContact O-N 3.23Å; T693-T697 PolarHBondContact O-OG1 3.19Å
694	T	46.3	Very low	50.7	Low	88 Å²	88	101.6 Å²	101.6	54%	0.54	53%	0.533	S	S	.	.	H	α-helix	trans	-80.8	-31.5	177.2	67.4	0	0	0	0	112.3	T691 D692 F698	T691-T694 PolarHBondContact O-N 3.3Å; T691-T694 PolarHBondContact O-OG1 3.49Å; D692-T694 PolarHBondContact O-N 2.85Å; D692-T694 VanDerWaalsContact O-N 3.12Å; T694-F698 PolarHBondContact O-N 3.02Å
695	I	54.6	Low	53.1	Low	109 Å²	109	96 Å²	96	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-72.9	-48.1	-176.4	-59.1	174.8	0	0	0	109.8	D692 T697 F698 A699	D692-I695 PolarHBondContact O-N 3.04Å; D692-I695 VanDerWaalsContact O-N 3.12Å; I695-T697 VanDerWaalsContact C-N 3.26Å; I695-T697 PolarHBondContact O-N 3.49Å; I695-F698 PolarHBondContact O-N 2.93Å; I695-A699 PolarHBondContact O-N 3.17Å
696	D	56.5	Low	55.7	Low	113 Å²	113	92.9 Å²	92.9	60%	0.604	49%	0.487	S	S	*	.	H	α-helix	trans	-57.4	-40.1	176.3	-69.2	-21.2	0	0	0	112	D692 A699 H700	D692-D696 PolarHBondContact O-N 3.17Å; D696-A699 PolarHBondContact O-N 3.17Å; D696-H700 WeakPolarHBondContact O-CB 3.29Å; D696-H700 PolarHBondContact O-N 2.79Å
697	T	65.6	Low	58.2	Low	36 Å²	36	85 Å²	85	22%	0.221	45%	0.448	C	S	.	.	H	α-helix	trans	-60.9	-47.1	177.9	-65.1	0	0	0	0	111.6	L586 T693 I695 H700 Q701	L586-T697 HydrophobicContact CD1-CG2 3.64Å; T693-T697 PolarHBondContact O-OG1 3.19Å; I695-T697 VanDerWaalsContact C-N 3.26Å; I695-T697 PolarHBondContact O-N 3.49Å; T697-H700 PolarHBondContact O-N 2.95Å; T697-Q701 WeakPolarHBondContact O-CB 3.48Å; T697-Q701 PolarHBondContact O-N 3.38Å
698	F	70.8	Confident	60.6	Low	149 Å²	149	80.1 Å²	80.1	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-68.3	-41.2	178.8	-175	-98.3	0	0	0	112.1	T694 I695 H700 Q701 K702	T694-F698 PolarHBondContact O-N 3.02Å; I695-F698 PolarHBondContact O-N 2.93Å; F698-H700 PolarHBondContact O-N 3.41Å; F698-Q701 PolarHBondContact O-N 3.18Å; F698-K702 PolarHBondContact O-N 3.04Å
699	A	69.1	Low	63.1	Low	45 Å²	45	76.9 Å²	76.9	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-43.8	175.9	0	0	0	0	0	111.8	I695 D696 K702 F703	I695-A699 PolarHBondContact O-N 3.17Å; D696-A699 PolarHBondContact O-N 3.17Å; A699-K702 PolarHBondContact O-N 2.89Å; A699-F703 WeakPolarHBondContact O-CB 3.5Å; A699-F703 PolarHBondContact O-N 2.89Å
700	H	73	Confident	65.7	Low	80 Å²	80	73.9 Å²	73.9	37%	0.37	38%	0.384	S	S	.	.	H	α-helix	trans	-64.4	-43.7	175.6	-173	75	0	0	0	112.3	D696 T697 F698 K702 F703 V704	D696-H700 WeakPolarHBondContact O-CB 3.29Å; D696-H700 PolarHBondContact O-N 2.79Å; T697-H700 PolarHBondContact O-N 2.95Å; F698-H700 PolarHBondContact O-N 3.41Å; H700-K702 VanDerWaalsContact C-N 3.35Å; H700-K702 PolarHBondContact O-N 3.46Å; H700-F703 PolarHBondContact O-N 3.25Å; H700-V704 WeakPolarHBondContact O-CG2 3.44Å; H700-V704 PolarHBondContact O-N 3.08Å
701	Q	73.6	Confident	67.8	Low	123 Å²	123	67 Å²	67	58%	0.575	35%	0.354	S	S	*	.	H	α-helix	trans	-62.3	-41.1	177.5	-171.6	176.2	7.9	0	0	111.8	T697 F698 T705	T697-Q701 WeakPolarHBondContact O-CB 3.48Å; T697-Q701 PolarHBondContact O-N 3.38Å; F698-Q701 PolarHBondContact O-N 3.18Å; Q701-T705 WeakPolarHBondContact O-CB 3.36Å; Q701-T705 PolarHBondContact O-N 3.49Å; Q701-T705 PolarHBondContact O-OG1 3.08Å
702	K	76.3	Confident	69.9	Low	78 Å²	78	70.3 Å²	70.3	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-51.5	172.5	176.5	174.6	170.5	176.1	0	111.5	F698 A699 H700 V704 T705 D706 S785	F698-K702 PolarHBondContact O-N 3.04Å; A699-K702 PolarHBondContact O-N 2.89Å; H700-K702 VanDerWaalsContact C-N 3.35Å; H700-K702 PolarHBondContact O-N 3.46Å; K702-V704 VanDerWaalsContact C-N 3.31Å; K702-V704 PolarHBondContact O-N 3.47Å; K702-T705 CarbonylContact O-C 3.51Å; K702-T705 WeakPolarHBondContact O-CA 3.31Å; K702-T705 WeakPolarHBondContact O-CB 3.41Å; K702-T705 PolarHBondContact O-N 2.79Å; K702-D706 WeakPolarHBondContact CE-OD2 3.43Å; K702-D706 WeakPolarHBondContact CG-OD2 3.3Å; K702-D706 PolarHBondContact O-N 3.27Å; K702-S785 WeakPolarHBondContact CE-O 3.49Å; K702-S785 PolarHBondContact NZ-O 2.75Å; K702-S785 PolarHBondContact NZ-OG 2.79Å
703	F	80.1	Confident	72.2	Confident	33 Å²	33	67.1 Å²	67.1	15%	0.145	34%	0.34	C	S	.	.	H	α-helix	trans	-53.3	-46.7	179.1	165.3	-89.6	0	0	0	112.2	A699 H700 T705 D706 L707 I748 H766 F771	A699-F703 WeakPolarHBondContact O-CB 3.5Å; A699-F703 PolarHBondContact O-N 2.89Å; H700-F703 PolarHBondContact O-N 3.25Å; F703-T705 PolarHBondContact O-N 3.07Å; F703-D706 PolarHBondContact O-N 2.81Å; F703-L707 HydrophobicContact CD1-CD1 3.91Å; F703-L707 HydrophobicContact CD2-CD1 3.82Å; F703-L707 HydrophobicContact CE1-CD1 3.6Å; F703-L707 HydrophobicContact CE2-CD1 3.51Å; F703-L707 HydrophobicContact CG-CD1 4.01Å; F703-L707 HydrophobicContact CZ-CD1 3.4Å; F703-L707 WeakPolarHBondContact O-CD1 3.25Å; F703-L707 VanDerWaalsContact O-CG 3.27Å; F703-L707 WeakPolarHBondContact O-CG 3.33Å; F703-L707 PolarHBondContact O-N 3Å; F703-I748 HydrophobicContact CE2-CD1 3.76Å; F703-I748 HydrophobicContact CZ-CD1 3.62Å; F703-H766 AromaticContact CD2-CE1 3.62Å; F703-H766 AromaticContact CD2-NE2 3.42Å; F703-H766 WeakPolarHBondContact CD2-NE2 3.34Å; F703-H766 AromaticContact CE2-CD2 3.96Å; F703-H766 AromaticContact CE2-CE1 3.29Å; F703-H766 WeakPolarHBondContact CE2-CE1 3.41Å; F703-H766 AromaticContact CE2-ND1 3.69Å; F703-H766 AromaticContact CE2-NE2 3.47Å; F703-H766 WeakPolarHBondContact CE2-NE2 3.18Å; F703-F771 HydrophobicContact CD2-CE2 4.45Å; F703-F771 AromaticContact CD2-CZ 3.83Å; F703-F771 HydrophobicContact CD2-CZ 3.83Å; F703-F771 HydrophobicContact CE2-CE1 4.45Å; F703-F771 AromaticContact CE2-CZ 3.92Å; F703-F771 HydrophobicContact CE2-CZ 3.92Å
704	V	75.5	Confident	74.3	Confident	18 Å²	18	64.6 Å²	64.6	11%	0.109	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-44.4	173.6	165.7	0	0	0	0	111.6	L549 H700 K702 L707 I708	L549-V704 HydrophobicContact CD2-CB 4.4Å; L549-V704 HydrophobicContact CD2-CG1 3.81Å; L549-V704 HydrophobicContact CD2-CG2 4.13Å; H700-V704 WeakPolarHBondContact O-CG2 3.44Å; H700-V704 PolarHBondContact O-N 3.08Å; K702-V704 VanDerWaalsContact C-N 3.31Å; K702-V704 PolarHBondContact O-N 3.47Å; V704-L707 PolarHBondContact O-N 2.92Å; V704-I708 HydrophobicContact CG1-CD1 3.83Å; V704-I708 VanDerWaalsContact O-CG1 3.31Å; V704-I708 WeakPolarHBondContact O-CG1 3.25Å; V704-I708 PolarHBondContact O-N 2.95Å
705	T	77	Confident	76.5	Confident	67 Å²	67	60.6 Å²	60.6	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-47	-180	-55.4	0	0	0	0	112	Q701 K702 F703 L707 I708 L709	Q701-T705 WeakPolarHBondContact O-CB 3.36Å; Q701-T705 PolarHBondContact O-N 3.49Å; Q701-T705 PolarHBondContact O-OG1 3.08Å; K702-T705 CarbonylContact O-C 3.51Å; K702-T705 WeakPolarHBondContact O-CA 3.31Å; K702-T705 WeakPolarHBondContact O-CB 3.41Å; K702-T705 PolarHBondContact O-N 2.79Å; F703-T705 PolarHBondContact O-N 3.07Å; T705-L707 VanDerWaalsContact C-N 3.3Å; T705-L707 PolarHBondContact O-N 3.1Å; T705-I708 PolarHBondContact O-N 2.79Å; T705-L709 HydrophobicContact CG2-CD1 4.27Å; T705-L709 WeakPolarHBondContact O-CG 3.46Å; T705-L709 PolarHBondContact O-N 2.81Å
706	D	82.9	Confident	78.3	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.16	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-36.5	-179.2	-69.9	-17.4	0	0	0	111.8	K702 F703 L709 L710 S786	K702-D706 WeakPolarHBondContact CE-OD2 3.43Å; K702-D706 WeakPolarHBondContact CG-OD2 3.3Å; K702-D706 PolarHBondContact O-N 3.27Å; F703-D706 PolarHBondContact O-N 2.81Å; D706-L709 WeakPolarHBondContact O-CB 3.46Å; D706-L709 PolarHBondContact O-N 2.89Å; D706-L710 PolarHBondContact O-N 3.25Å; D706-S786 VanDerWaalsContact OD2-CB 3.24Å; D706-S786 WeakPolarHBondContact OD2-CB 3.41Å
707	L	81.4	Confident	80	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-76.1	-27.7	177.5	-65.1	165	0	0	0	112.6	F545 F703 V704 T705 L710 L749 V787	F545-L707 HydrophobicContact CE1-CB 4.34Å; F545-L707 HydrophobicContact CE1-CD1 4.48Å; F545-L707 HydrophobicContact CE2-CD1 4.21Å; F545-L707 HydrophobicContact CZ-CB 3.93Å; F545-L707 HydrophobicContact CZ-CD1 3.58Å; F545-L707 HydrophobicContact CZ-CG 4.19Å; F703-L707 HydrophobicContact CD1-CD1 3.91Å; F703-L707 HydrophobicContact CD2-CD1 3.82Å; F703-L707 HydrophobicContact CE1-CD1 3.6Å; F703-L707 HydrophobicContact CE2-CD1 3.51Å; F703-L707 HydrophobicContact CG-CD1 4.01Å; F703-L707 HydrophobicContact CZ-CD1 3.4Å; F703-L707 WeakPolarHBondContact O-CD1 3.25Å; F703-L707 VanDerWaalsContact O-CG 3.27Å; F703-L707 WeakPolarHBondContact O-CG 3.33Å; F703-L707 PolarHBondContact O-N 3Å; V704-L707 PolarHBondContact O-N 2.92Å; T705-L707 VanDerWaalsContact C-N 3.3Å; T705-L707 PolarHBondContact O-N 3.1Å; L707-L710 HydrophobicContact CD2-CD1 3.77Å; L707-L749 HydrophobicContact CD2-CD1 4.37Å; L707-V787 HydrophobicContact CD2-CG2 4.16Å
708	I	76.7	Confident	81	Confident	68 Å²	68	49.1 Å²	49.1	35%	0.349	24%	0.239	S	C	.	.	H	α-helix	trans	-69.3	-36.8	166.1	-69.5	165.8	0	0	0	110.6	L549 V704 T705 L710 K711	L549-I708 HydrophobicContact CD1-CG1 4.49Å; V704-I708 HydrophobicContact CG1-CD1 3.83Å; V704-I708 VanDerWaalsContact O-CG1 3.31Å; V704-I708 WeakPolarHBondContact O-CG1 3.25Å; V704-I708 PolarHBondContact O-N 2.95Å; T705-I708 PolarHBondContact O-N 2.79Å; I708-L710 VanDerWaalsContact C-N 3.35Å; I708-L710 PolarHBondContact O-N 3.05Å; I708-K711 VanDerWaalsContact O-CB 3.25Å; I708-K711 WeakPolarHBondContact O-CB 3.25Å; I708-K711 WeakPolarHBondContact O-CG 3.38Å; I708-K711 PolarHBondContact O-N 3.3Å
709	L	83.2	Confident	81.8	Confident	82 Å²	82	43.6 Å²	43.6	43%	0.429	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-33.2	176.2	-70.5	171.4	0	0	0	112.5	T705 D706 K711 R712	T705-L709 HydrophobicContact CG2-CD1 4.27Å; T705-L709 WeakPolarHBondContact O-CG 3.46Å; T705-L709 PolarHBondContact O-N 2.81Å; D706-L709 WeakPolarHBondContact O-CB 3.46Å; D706-L709 PolarHBondContact O-N 2.89Å; L709-K711 PolarHBondContact O-N 3.04Å; L709-K711 VanDerWaalsContact O-N 3.17Å; L709-R712 WeakPolarHBondContact O-CB 3.33Å; L709-R712 PolarHBondContact O-N 3.44Å
710	L	85.6	Confident	82.7	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-53.6	-34.6	171.1	-67.1	-170.6	0	0	0	112.6	D706 L707 I708 R712 I713 W715 Y716 L749 V787	D706-L710 PolarHBondContact O-N 3.25Å; L707-L710 HydrophobicContact CD2-CD1 3.77Å; I708-L710 VanDerWaalsContact C-N 3.35Å; I708-L710 PolarHBondContact O-N 3.05Å; L710-R712 PolarHBondContact O-N 2.93Å; L710-I713 HydrophobicContact CD2-CD1 3.77Å; L710-I713 PolarHBondContact O-N 2.92Å; L710-W715 HydrophobicContact CD2-CH2 3.88Å; L710-W715 HydrophobicContact CD2-CZ3 4.24Å; L710-Y716 HydrophobicContact CB-CD1 3.93Å; L710-Y716 HydrophobicContact CB-CE1 4.07Å; L710-Y716 HydrophobicContact CB-CG 4.17Å; L710-Y716 WeakPolarHBondContact O-CD1 3.3Å; L710-L749 HydrophobicContact CD1-CD1 3.63Å; L710-V787 HydrophobicContact CD1-CB 4.02Å; L710-V787 HydrophobicContact CD1-CG1 3.99Å; L710-V787 HydrophobicContact CD1-CG2 4.29Å; L710-V787 HydrophobicContact CD2-CB 4.15Å; L710-V787 HydrophobicContact CD2-CG1 4.21Å
711	K	80.5	Confident	83.5	Confident	53 Å²	53	40.7 Å²	40.7	23%	0.23	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.5	176.2	-54.6	-150.7	179.3	-164.1	0	113.4	H546 E550 I708 L709 R876 Y918 Y919	H546-K711 PolarHBondContact ND1-NZ 3.1Å; E550-K711 IonicContact OE1-NZ 3.76Å; E550-K711 PolarHBondContact OE1-NZ 3.1Å; I708-K711 VanDerWaalsContact O-CB 3.25Å; I708-K711 WeakPolarHBondContact O-CB 3.25Å; I708-K711 WeakPolarHBondContact O-CG 3.38Å; I708-K711 PolarHBondContact O-N 3.3Å; L709-K711 PolarHBondContact O-N 3.04Å; L709-K711 VanDerWaalsContact O-N 3.17Å; K711-R876 PolarHBondContact O-NH2 2.92Å; K711-Y918 PolarHBondContact NZ-OH 3.09Å; K711-Y918 VanDerWaalsContact NZ-OH 3.07Å; K711-Y919 WeakPolarHBondContact CA-OH 3.17Å; K711-Y919 VanDerWaalsContact CB-OH 3.3Å; K711-Y919 WeakPolarHBondContact CB-OH 3.45Å; K711-Y919 WeakPolarHBondContact CD-OH 3.48Å; K711-Y919 WeakPolarHBondContact CG-OH 3.15Å
712	R	79.3	Confident	84.3	Confident	152 Å²	152	36.1 Å²	36.1	57%	0.574	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.8	177	-64.7	-178.7	169.5	-163.2	-8.4	113.7	D432 L709 L710	D432-R712 IonicContact OD1-CZ 3.39Å; D432-R712 IonicContact OD1-NH1 3.1Å; D432-R712 PolarHBondContact OD1-NH1 3.29Å; D432-R712 VanDerWaalsContact OD1-NH1 3.1Å; D432-R712 IonicContact OD1-NH2 2.73Å; D432-R712 PolarHBondContact OD1-NH2 3.12Å; L709-R712 WeakPolarHBondContact O-CB 3.33Å; L709-R712 PolarHBondContact O-N 3.44Å; L710-R712 PolarHBondContact O-N 2.93Å
713	I	86	Confident	85.1	Confident	15 Å²	15	37.9 Å²	37.9	8%	0.077	19%	0.191	C	C	.	.			trans	-89.3	140.5	-175.3	-49.7	-178.2	0	0	0	111.3	L710 W715 A788 R876	L710-I713 HydrophobicContact CD2-CD1 3.77Å; L710-I713 PolarHBondContact O-N 2.92Å; I713-W715 HydrophobicContact CD1-CH2 4.16Å; I713-W715 HydrophobicContact CD1-CZ2 3.98Å; I713-W715 HydrophobicContact CG2-CD2 3.7Å; I713-W715 VanDerWaalsContact CG2-CE2 3.43Å; I713-W715 HydrophobicContact CG2-CE3 4.34Å; I713-W715 HydrophobicContact CG2-CG 3.96Å; I713-W715 HydrophobicContact CG2-CH2 4.48Å; I713-W715 HydrophobicContact CG2-CZ2 3.87Å; I713-A788 HydrophobicContact CD1-CB 3.97Å; I713-R876 PolarHBondContact O-NH2 2.9Å
714	G	87.1	Confident	85.5	Confident	11 Å²	11	38.1 Å²	38.1	11%	0.113	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-34.7	-174.4	0	0	0	0	0	115.3	Y716 S875 R876 F877	G714-Y716 PolarHBondContact O-N 3.08Å; G714-S875 WeakPolarHBondContact O-CA 3.42Å; G714-R876 PolarHBondContact O-N 2.86Å; G714-F877 VanDerWaalsContact CA-CE2 3.48Å
715	W	92	Very high	86.3	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.019	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.2	178.8	51.6	-116.8	0	0	0	114.3	L710 I713 F737 V739 I791 P873	L710-W715 HydrophobicContact CD2-CH2 3.88Å; L710-W715 HydrophobicContact CD2-CZ3 4.24Å; I713-W715 HydrophobicContact CD1-CH2 4.16Å; I713-W715 HydrophobicContact CD1-CZ2 3.98Å; I713-W715 HydrophobicContact CG2-CD2 3.7Å; I713-W715 VanDerWaalsContact CG2-CE2 3.43Å; I713-W715 HydrophobicContact CG2-CE3 4.34Å; I713-W715 HydrophobicContact CG2-CG 3.96Å; I713-W715 HydrophobicContact CG2-CH2 4.48Å; I713-W715 HydrophobicContact CG2-CZ2 3.87Å; W715-F737 HydrophobicContact CG-CE2 4.42Å; W715-V739 HydrophobicContact CD2-CG2 4.37Å; W715-V739 HydrophobicContact CE3-CB 3.69Å; W715-V739 HydrophobicContact CE3-CG2 3.4Å; W715-V739 VanDerWaalsContact CE3-CG2 3.4Å; W715-V739 HydrophobicContact CH2-CG2 4.49Å; W715-V739 HydrophobicContact CZ3-CB 3.74Å; W715-V739 HydrophobicContact CZ3-CG1 4.29Å; W715-V739 HydrophobicContact CZ3-CG2 3.49Å; W715-V739 VanDerWaalsContact CZ3-CG2 3.49Å; W715-V739 PolarHBondContact O-N 2.83Å; W715-I791 HydrophobicContact CH2-CB 4.14Å; W715-I791 HydrophobicContact CH2-CG1 3.8Å; W715-I791 HydrophobicContact CH2-CG2 4.43Å; W715-I791 HydrophobicContact CZ2-CB 3.96Å; W715-I791 HydrophobicContact CZ2-CG1 4.15Å; W715-I791 HydrophobicContact CZ2-CG2 3.97Å; W715-I791 HydrophobicContact CZ3-CG1 4.2Å; W715-P873 HydrophobicContact CB-CB 3.84Å; W715-P873 HydrophobicContact CG-CB 4.13Å
716	Y	92.6	Very high	87.1	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.035	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-93.7	118.5	175.1	174	-116.2	0	0	0	110	L710 G714 V739 D741 L749 R876 Y919	L710-Y716 HydrophobicContact CB-CD1 3.93Å; L710-Y716 HydrophobicContact CB-CE1 4.07Å; L710-Y716 HydrophobicContact CB-CG 4.17Å; L710-Y716 WeakPolarHBondContact O-CD1 3.3Å; G714-Y716 PolarHBondContact O-N 3.08Å; Y716-V739 CarbonylContact C-O 3.54Å; Y716-V739 WeakPolarHBondContact CA-O 3.11Å; Y716-V739 HydrophobicContact CD2-CG1 4.44Å; Y716-D741 PolarHBondContact OH-OD1 3.02Å; Y716-D741 VanDerWaalsContact OH-OD1 3.13Å; Y716-L749 HydrophobicContact CE2-CD2 3.74Å; Y716-R876 WeakPolarHBondContact O-CD 3.38Å; Y716-R876 PolarHBondContact O-NE 3.2Å; Y716-Y919 HydrophobicContact CD1-CE2 4.43Å; Y716-Y919 AromaticContact CE1-CE2 3.9Å; Y716-Y919 HydrophobicContact CE1-CE2 3.9Å; Y716-Y919 AromaticContact CE1-CZ 3.96Å
717	W	90.8	Very high	87.5	Confident	7 Å²	7	41.2 Å²	41.2	3%	0.027	20%	0.203	C	C	.	.			trans	-103	-4.9	-176.8	-69.5	69.9	0	0	0	113.5	L720 L728 V739 L874 R876 Y919 A920 Y926	W717-L720 HydrophobicContact CB-CB 4.06Å; W717-L720 HydrophobicContact CB-CD2 3.94Å; W717-L720 HydrophobicContact CB-CG 4.47Å; W717-L720 HydrophobicContact CD2-CD2 4.39Å; W717-L720 HydrophobicContact CE3-CD1 4.19Å; W717-L720 HydrophobicContact CG-CD2 4.17Å; W717-L728 HydrophobicContact CD2-CD1 4.4Å; W717-L728 HydrophobicContact CE3-CD1 3.99Å; W717-L728 HydrophobicContact CH2-CD1 3.87Å; W717-L728 HydrophobicContact CH2-CD2 4.29Å; W717-L728 HydrophobicContact CZ2-CD1 4.28Å; W717-L728 HydrophobicContact CZ3-CD1 3.71Å; W717-V739 PolarHBondContact N-O 2.93Å; W717-L874 HydrophobicContact CZ2-CD2 4.28Å; W717-L874 HydrophobicContact CZ2-CG 4.18Å; W717-L874 PolarHBondContact NE1-O 2.94Å; W717-R876 HydrophobicContact CD2-CB 3.92Å; W717-R876 HydrophobicContact CE3-CB 4.06Å; W717-R876 HydrophobicContact CH2-CB 3.95Å; W717-R876 HydrophobicContact CZ2-CB 3.79Å; W717-R876 HydrophobicContact CZ3-CB 4.08Å; W717-Y919 VanDerWaalsContact O-CD2 3.25Å; W717-Y919 WeakPolarHBondContact O-CD2 3.21Å; W717-A920 HydrophobicContact CE3-CB 4.23Å; W717-A920 HydrophobicContact CZ3-CB 3.96Å; W717-Y926 AromaticContact CH2-CD1 3.84Å; W717-Y926 HydrophobicContact CH2-CD1 3.84Å; W717-Y926 HydrophobicContact CH2-CD2 4.36Å; W717-Y926 AromaticContact CH2-CE1 3.94Å; W717-Y926 HydrophobicContact CH2-CE1 3.94Å; W717-Y926 HydrophobicContact CH2-CE2 4.46Å; W717-Y926 HydrophobicContact CH2-CG 4.06Å; W717-Y926 HydrophobicContact CZ3-CD2 4.4Å; W717-Y926 HydrophobicContact CZ3-CE2 4.37Å
718	G	87.7	Confident	88	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	61.8	-135.5	-176.4	0	0	0	0	0	112.6	L720 R740 D741	G718-L720 PolarHBondContact O-N 3.41Å; G718-R740 CarbonylContact O-C 3.5Å; G718-R740 WeakPolarHBondContact O-CA 3.34Å; G718-R740 WeakPolarHBondContact O-CB 3.35Å; G718-D741 VanDerWaalsContact C-OD1 3.26Å; G718-D741 VanDerWaalsContact CA-OD1 3.26Å; G718-D741 WeakPolarHBondContact CA-OD1 3.27Å; G718-D741 PolarHBondContact O-N 2.85Å
719	P	87.2	Confident	88.7	Confident	34 Å²	34	37.9 Å²	37.9	22%	0.221	19%	0.186	C	C	.	.	S	Bend	trans	-75.8	61.1	-174.2	32	-36.6	0	0	0	113.4	D741 S916	P719-D741 WeakPolarHBondContact CD-OD2 3Å; P719-S916 WeakPolarHBondContact CG-O 3.28Å
720	L	89.1	Confident	89.1	Confident	13 Å²	13	40.4 Å²	40.4	7%	0.068	19%	0.193	C	C	.	.			trans	-84.8	136	168.5	-169.8	78.1	0	0	0	108.7	W717 G718 E724 A725 L728 L738 R740 I923	W717-L720 HydrophobicContact CB-CB 4.06Å; W717-L720 HydrophobicContact CB-CD2 3.94Å; W717-L720 HydrophobicContact CB-CG 4.47Å; W717-L720 HydrophobicContact CD2-CD2 4.39Å; W717-L720 HydrophobicContact CE3-CD1 4.19Å; W717-L720 HydrophobicContact CG-CD2 4.17Å; G718-L720 PolarHBondContact O-N 3.41Å; L720-E724 WeakPolarHBondContact CA-OE2 3.31Å; L720-E724 HydrophobicContact CD1-CB 3.69Å; L720-E724 HydrophobicContact CG-CB 3.85Å; L720-A725 HydrophobicContact CD2-CB 3.82Å; L720-L728 HydrophobicContact CD1-CD1 4.18Å; L720-L728 HydrophobicContact CD2-CD1 4.06Å; L720-L738 HydrophobicContact CD2-CD1 3.7Å; L720-L738 HydrophobicContact CD2-CD2 3.95Å; L720-R740 HydrophobicContact CB-CB 4Å; L720-R740 WeakPolarHBondContact O-CD 3.2Å; L720-I923 HydrophobicContact CD1-CD1 3.89Å
721	T	89.3	Confident	89	Confident	51 Å²	51	44 Å²	44	31%	0.313	21%	0.212	S	C	.	.			trans	-75.1	175.3	178.4	84	0	0	0	0	112.5	E723 E724 A725	T721-E723 WeakPolarHBondContact CB-OE2 3.37Å; T721-E723 PolarHBondContact OG1-N 3.48Å; T721-E723 PolarHBondContact OG1-OE2 3.47Å; T721-E724 HydrophobicContact CG2-CG 4.35Å; T721-E724 PolarHBondContact N-OE2 2.89Å; T721-E724 WeakPolarHBondContact OG1-CB 3.25Å; T721-E724 VanDerWaalsContact OG1-CG 3.31Å; T721-E724 WeakPolarHBondContact OG1-CG 3.15Å; T721-E724 PolarHBondContact OG1-N 2.94Å; T721-E724 VanDerWaalsContact OG1-N 3.15Å; T721-A725 WeakPolarHBondContact O-CB 3.32Å; T721-A725 PolarHBondContact O-N 3.46Å; T721-A725 VanDerWaalsContact O-N 3.16Å
722	V	91	Very high	89.4	Confident	27 Å²	27	41.9 Å²	41.9	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-48.6	176.9	-166.2	0	0	0	0	109.8	E724 A725 E726 H761	V722-E724 PolarHBondContact O-N 2.91Å; V722-A725 WeakPolarHBondContact O-CB 3.42Å; V722-A725 PolarHBondContact O-N 2.95Å; V722-E726 PolarHBondContact O-N 3.18Å; V722-H761 WeakPolarHBondContact CG1-NE2 3.41Å
723	E	91	Very high	90	Very high	115 Å²	115	37.6 Å²	37.6	54%	0.537	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-37.2	-177.8	-47.1	78.3	-176.3	0	0	111.5	T721 E726 L727	T721-E723 WeakPolarHBondContact CB-OE2 3.37Å; T721-E723 PolarHBondContact OG1-N 3.48Å; T721-E723 PolarHBondContact OG1-OE2 3.47Å; E723-E726 PolarHBondContact O-N 3.49Å; E723-L727 WeakPolarHBondContact O-CB 3.32Å; E723-L727 VanDerWaalsContact O-CG 3.25Å; E723-L727 WeakPolarHBondContact O-CG 3.41Å; E723-L727 PolarHBondContact O-N 2.78Å
724	E	90.4	Very high	90.1	Very high	38 Å²	38	39.9 Å²	39.9	18%	0.178	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-41.6	172.7	-74	176.3	163.7	0	0	111.9	L720 T721 V722 L727 L728 Q917 I923	L720-E724 WeakPolarHBondContact CA-OE2 3.31Å; L720-E724 HydrophobicContact CD1-CB 3.69Å; L720-E724 HydrophobicContact CG-CB 3.85Å; T721-E724 HydrophobicContact CG2-CG 4.35Å; T721-E724 PolarHBondContact N-OE2 2.89Å; T721-E724 WeakPolarHBondContact OG1-CB 3.25Å; T721-E724 VanDerWaalsContact OG1-CG 3.31Å; T721-E724 WeakPolarHBondContact OG1-CG 3.15Å; T721-E724 PolarHBondContact OG1-N 2.94Å; T721-E724 VanDerWaalsContact OG1-N 3.15Å; V722-E724 PolarHBondContact O-N 2.91Å; E724-L727 PolarHBondContact O-N 2.77Å; E724-L728 WeakPolarHBondContact O-CG 3.44Å; E724-L728 PolarHBondContact O-N 3.31Å; E724-L728 VanDerWaalsContact O-N 3.15Å; E724-Q917 VanDerWaalsContact CD-NE2 3.31Å; E724-Q917 PolarHBondContact OE1-NE2 2.77Å; E724-Q917 PolarHBondContact OE2-NE2 2.88Å; E724-I923 HydrophobicContact CB-CD1 3.81Å; E724-I923 HydrophobicContact CG-CD1 3.49Å; E724-I923 VanDerWaalsContact CG-CD1 3.49Å
725	A	91.9	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-40	174.9	0	0	0	0	0	112.3	L720 T721 V722 L728 L729 L738	L720-A725 HydrophobicContact CD2-CB 3.82Å; T721-A725 WeakPolarHBondContact O-CB 3.32Å; T721-A725 PolarHBondContact O-N 3.46Å; T721-A725 VanDerWaalsContact O-N 3.16Å; V722-A725 WeakPolarHBondContact O-CB 3.42Å; V722-A725 PolarHBondContact O-N 2.95Å; A725-L728 PolarHBondContact O-N 3.29Å; A725-L729 WeakPolarHBondContact O-CB 3.42Å; A725-L729 WeakPolarHBondContact O-CG 3.18Å; A725-L729 PolarHBondContact O-N 3.05Å; A725-L738 HydrophobicContact CB-CD1 4.08Å; A725-L738 HydrophobicContact CB-CD2 4.25Å
726	E	93.2	Very high	90.3	Very high	89 Å²	89	39.7 Å²	39.7	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-49	172.3	-74.9	-173.3	170.3	0	0	111.6	V722 E723 L728 L729 K730 I759	V722-E726 PolarHBondContact O-N 3.18Å; E723-E726 PolarHBondContact O-N 3.49Å; E726-L728 VanDerWaalsContact C-N 3.3Å; E726-L728 PolarHBondContact O-N 3.41Å; E726-L729 PolarHBondContact O-N 3.14Å; E726-K730 VanDerWaalsContact O-CB 3.3Å; E726-K730 WeakPolarHBondContact O-CB 3.01Å; E726-K730 PolarHBondContact O-N 3.2Å; E726-I759 HydrophobicContact CB-CD1 3.95Å; E726-I759 HydrophobicContact CG-CD1 4.22Å; E726-I759 HydrophobicContact CG-CG2 4.32Å; E726-I759 WeakPolarHBondContact O-CD1 3.27Å
727	L	91.4	Very high	90.4	Very high	91 Å²	91	39.2 Å²	39.2	48%	0.476	21%	0.206	S	C	.	.	H	α-helix	trans	-57.7	-42.4	179.6	-76.8	168.5	0	0	0	112.1	E723 E724 L927	E723-L727 WeakPolarHBondContact O-CB 3.32Å; E723-L727 VanDerWaalsContact O-CG 3.25Å; E723-L727 WeakPolarHBondContact O-CG 3.41Å; E723-L727 PolarHBondContact O-N 2.78Å; E724-L727 PolarHBondContact O-N 2.77Å; L727-L927 HydrophobicContact CB-CD1 4.44Å; L727-L927 HydrophobicContact CB-CD2 4.29Å; L727-L927 WeakPolarHBondContact O-CD2 3.46Å
728	L	91.5	Very high	90.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-41.3	176.8	-74.3	170.4	0	0	0	112.7	W717 L720 E724 A725 E726 C732 L738 L874 I923 Y926 L927 L930	W717-L728 HydrophobicContact CD2-CD1 4.4Å; W717-L728 HydrophobicContact CE3-CD1 3.99Å; W717-L728 HydrophobicContact CH2-CD1 3.87Å; W717-L728 HydrophobicContact CH2-CD2 4.29Å; W717-L728 HydrophobicContact CZ2-CD1 4.28Å; W717-L728 HydrophobicContact CZ3-CD1 3.71Å; L720-L728 HydrophobicContact CD1-CD1 4.18Å; L720-L728 HydrophobicContact CD2-CD1 4.06Å; E724-L728 WeakPolarHBondContact O-CG 3.44Å; E724-L728 PolarHBondContact O-N 3.31Å; E724-L728 VanDerWaalsContact O-N 3.15Å; A725-L728 PolarHBondContact O-N 3.29Å; E726-L728 VanDerWaalsContact C-N 3.3Å; E726-L728 PolarHBondContact O-N 3.41Å; L728-C732 PolarHBondContact O-SG 3.16Å; L728-L738 HydrophobicContact CB-CD2 4.47Å; L728-L738 HydrophobicContact CD1-CD2 4.37Å; L728-L874 HydrophobicContact CB-CD2 3.95Å; L728-I923 HydrophobicContact CD2-CG2 4.21Å; L728-I923 HydrophobicContact CG-CG2 4.28Å; L728-Y926 HydrophobicContact CD2-CG 4.42Å; L728-L927 HydrophobicContact CD2-CD2 4.15Å; L728-L930 HydrophobicContact CD2-CD1 4.31Å
729	L	92.4	Very high	90.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-83.6	-22.6	-175.4	-69.2	170.8	0	0	0	114.1	A725 E726 N731 C732 T736 L738 S752 R754 I759 L874	A725-L729 WeakPolarHBondContact O-CB 3.42Å; A725-L729 WeakPolarHBondContact O-CG 3.18Å; A725-L729 PolarHBondContact O-N 3.05Å; E726-L729 PolarHBondContact O-N 3.14Å; L729-N731 PolarHBondContact O-N 3.5Å; L729-C732 PolarHBondContact O-N 2.94Å; L729-T736 HydrophobicContact CD2-CG2 3.72Å; L729-L738 HydrophobicContact CD1-CD2 4.27Å; L729-L738 HydrophobicContact CD1-CG 4.36Å; L729-L738 HydrophobicContact CD2-CD2 4.42Å; L729-L738 HydrophobicContact CG-CD2 4.13Å; L729-S752 WeakPolarHBondContact CD1-O 3.47Å; L729-R754 WeakPolarHBondContact O-CD 3.45Å; L729-I759 HydrophobicContact CB-CD1 4.16Å; L729-I759 HydrophobicContact CB-CG1 4.42Å; L729-I759 HydrophobicContact CB-CG2 4.19Å; L729-I759 HydrophobicContact CD1-CG2 3.94Å; L729-L874 HydrophobicContact CD2-CD2 4.28Å
730	K	90.1	Very high	91.1	Very high	134 Å²	134	37.6 Å²	37.6	58%	0.583	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-37.6	-171.2	-175.8	168.2	-174.6	163.8	0	115.6	E726 I759	E726-K730 VanDerWaalsContact O-CB 3.3Å; E726-K730 WeakPolarHBondContact O-CB 3.01Å; E726-K730 PolarHBondContact O-N 3.2Å; K730-I759 HydrophobicContact CB-CD1 4.11Å
731	N	84.6	Confident	91.2	Very high	77 Å²	77	38.1 Å²	38.1	41%	0.412	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-4.3	-177.2	-59.3	-23.7	0	0	0	113	L729 T931 N934	L729-N731 PolarHBondContact O-N 3.5Å; N731-T931 WeakPolarHBondContact ND2-CG2 3.46Å; N731-N934 PolarHBondContact O-ND2 3.37Å
732	C	89	Confident	91.3	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.061	19%	0.191	C	C	.	.	S	Bend	trans	-74.5	165.9	-178	-66.4	0	0	0	0	111.7	L728 L729 T736 R754	L728-C732 PolarHBondContact O-SG 3.16Å; L729-C732 PolarHBondContact O-N 2.94Å; C732-T736 HydrophobicContact CB-CG2 3.71Å; C732-R754 WeakPolarHBondContact O-CD 3.41Å; C732-R754 VanDerWaalsContact O-CZ 3.32Å; C732-R754 PolarHBondContact O-NE 3.35Å; C732-R754 PolarHBondContact O-NH1 3.39Å
733	S	90.6	Very high	91	Very high	63 Å²	63	39 Å²	39	44%	0.441	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-62.5	153.8	173.1	52.3	0	0	0	0	111.2	T736 H872	S733-T736 WeakPolarHBondContact O-CB 3.24Å; S733-T736 PolarHBondContact O-N 3.15Å; S733-T736 VanDerWaalsContact O-N 3.1Å; S733-T736 PolarHBondContact O-OG1 3.13Å; S733-T736 PolarHBondContact OG-OG1 2.85Å; S733-T736 VanDerWaalsContact OG-OG1 3.1Å; S733-H872 PolarHBondContact OG-ND1 3.05Å
734	D	89.4	Confident	90.7	Very high	62 Å²	62	36.2 Å²	36.2	33%	0.332	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	147.7	171	-79.6	25.9	0	0	0	110.3	T736 R754 G756 G757 H872	D734-T736 PolarHBondContact O-N 3.42Å; D734-R754 WeakPolarHBondContact OD1-CD 3.07Å; D734-R754 IonicContact OD1-CZ 3.27Å; D734-R754 VanDerWaalsContact OD1-CZ 3.27Å; D734-R754 IonicContact OD1-NE 3.6Å; D734-R754 IonicContact OD1-NH1 2.73Å; D734-R754 PolarHBondContact OD1-NH1 3.34Å; D734-G756 WeakPolarHBondContact OD2-CA 3.25Å; D734-G756 PolarHBondContact OD2-N 2.84Å; D734-G757 PolarHBondContact OD1-N 3.01Å; D734-G757 PolarHBondContact OD2-N 2.8Å; D734-H872 PolarHBondContact O-ND1 2.59Å
735	G	89.7	Confident	90.3	Very high	5 Å²	5	38 Å²	38	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	4.6	-167.8	0	0	0	0	0	115.3	R754 S869 I871 H872	G735-R754 WeakPolarHBondContact CA-O 3.34Å; G735-R754 PolarHBondContact N-O 3.37Å; G735-S869 WeakPolarHBondContact CA-O 3.21Å; G735-I871 PolarHBondContact O-N 3.23Å; G735-H872 PolarHBondContact O-N 3.38Å
736	T	93.1	Very high	89.7	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136	166.5	-55.2	0	0	0	0	110.8	L729 C732 S733 D734 F753 R754 H872 L874	L729-T736 HydrophobicContact CD2-CG2 3.72Å; C732-T736 HydrophobicContact CB-CG2 3.71Å; S733-T736 WeakPolarHBondContact O-CB 3.24Å; S733-T736 PolarHBondContact O-N 3.15Å; S733-T736 VanDerWaalsContact O-N 3.1Å; S733-T736 PolarHBondContact O-OG1 3.13Å; S733-T736 PolarHBondContact OG-OG1 2.85Å; S733-T736 VanDerWaalsContact OG-OG1 3.1Å; D734-T736 PolarHBondContact O-N 3.42Å; T736-F753 CarbonylContact O-C 3.58Å; T736-F753 WeakPolarHBondContact O-CA 3.48Å; T736-R754 PolarHBondContact O-N 3.07Å; T736-H872 CarbonylContact C-O 3.49Å; T736-H872 VanDerWaalsContact CA-O 3.29Å; T736-H872 WeakPolarHBondContact CA-O 3.06Å; T736-H872 HydrophobicContact CG2-CB 4.5Å; T736-H872 WeakPolarHBondContact CG2-O 3.34Å; T736-L874 HydrophobicContact CG2-CB 3.89Å; T736-L874 HydrophobicContact CG2-CD1 4.45Å
737	F	94.4	Very high	89.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162	-178.6	78.8	-85.6	0	0	0	113.7	W715 V739 V751 S752 F753 I791 M795 L870 H872 P873 L874	W715-F737 HydrophobicContact CG-CE2 4.42Å; F737-V739 HydrophobicContact CE2-CG2 4.48Å; F737-V751 HydrophobicContact CB-CG1 4.38Å; F737-V751 HydrophobicContact CD2-CG1 4.23Å; F737-S752 CarbonylContact C-O 3.58Å; F737-S752 VanDerWaalsContact CA-O 3.25Å; F737-S752 WeakPolarHBondContact CA-O 3.26Å; F737-F753 HydrophobicContact CB-CB 3.74Å; F737-I791 HydrophobicContact CE2-CG2 3.59Å; F737-I791 HydrophobicContact CZ-CG2 3.72Å; F737-M795 HydrophobicContact CE1-CG 3.96Å; F737-M795 HydrophobicContact CE1-SD 3.8Å; F737-M795 HydrophobicContact CZ-CG 3.93Å; F737-M795 HydrophobicContact CZ-SD 3.58Å; F737-M795 VanDerWaalsContact CZ-SD 3.58Å; F737-L870 HydrophobicContact CB-CD2 3.86Å; F737-L870 HydrophobicContact CD1-CB 3.78Å; F737-L870 HydrophobicContact CD1-CD2 4.44Å; F737-L870 HydrophobicContact CE1-CB 4Å; F737-L870 HydrophobicContact CG-CB 4.19Å; F737-L870 HydrophobicContact CG-CD2 4.12Å; F737-H872 PolarHBondContact N-O 3.32Å; F737-P873 HydrophobicContact CE1-CB 3.91Å; F737-P873 HydrophobicContact CZ-CB 3.78Å; F737-L874 WeakPolarHBondContact O-CB 3.29Å; F737-L874 PolarHBondContact O-N 3.05Å
738	L	94.4	Very high	89.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.8	170	64.7	85.3	0	0	0	110.8	L720 A725 L728 L729 R740 V751 S752 L874	L720-L738 HydrophobicContact CD2-CD1 3.7Å; L720-L738 HydrophobicContact CD2-CD2 3.95Å; A725-L738 HydrophobicContact CB-CD1 4.08Å; A725-L738 HydrophobicContact CB-CD2 4.25Å; L728-L738 HydrophobicContact CB-CD2 4.47Å; L728-L738 HydrophobicContact CD1-CD2 4.37Å; L729-L738 HydrophobicContact CD1-CD2 4.27Å; L729-L738 HydrophobicContact CD1-CG 4.36Å; L729-L738 HydrophobicContact CD2-CD2 4.42Å; L729-L738 HydrophobicContact CG-CD2 4.13Å; L738-R740 HydrophobicContact CD1-CB 4.16Å; L738-R740 HydrophobicContact CD1-CG 4.23Å; L738-V751 WeakPolarHBondContact O-CA 3.45Å; L738-S752 PolarHBondContact N-O 2.77Å; L738-S752 PolarHBondContact O-N 3.03Å; L738-L874 HydrophobicContact CB-CB 4.47Å; L738-L874 HydrophobicContact CD2-CD2 4.1Å
739	V	94.2	Very high	89.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136	173.2	-170.8	0	0	0	0	109.6	W715 Y716 W717 F737 L749 V751 I764 I791	W715-V739 HydrophobicContact CD2-CG2 4.37Å; W715-V739 HydrophobicContact CE3-CB 3.69Å; W715-V739 HydrophobicContact CE3-CG2 3.4Å; W715-V739 VanDerWaalsContact CE3-CG2 3.4Å; W715-V739 HydrophobicContact CH2-CG2 4.49Å; W715-V739 HydrophobicContact CZ3-CB 3.74Å; W715-V739 HydrophobicContact CZ3-CG1 4.29Å; W715-V739 HydrophobicContact CZ3-CG2 3.49Å; W715-V739 VanDerWaalsContact CZ3-CG2 3.49Å; W715-V739 PolarHBondContact O-N 2.83Å; Y716-V739 CarbonylContact C-O 3.54Å; Y716-V739 WeakPolarHBondContact CA-O 3.11Å; Y716-V739 HydrophobicContact CD2-CG1 4.44Å; W717-V739 PolarHBondContact N-O 2.93Å; F737-V739 HydrophobicContact CE2-CG2 4.48Å; V739-L749 HydrophobicContact CG1-CB 4.33Å; V739-L749 HydrophobicContact CG1-CD1 4.39Å; V739-V751 HydrophobicContact CG2-CG2 4.23Å; V739-I764 HydrophobicContact CG1-CD1 4.02Å; V739-I791 HydrophobicContact CG2-CD1 3.82Å; V739-I791 HydrophobicContact CG2-CG1 4.11Å
740	R	93	Very high	89.1	Confident	6 Å²	6	35.7 Å²	35.7	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	168.2	-177.1	58.6	175.6	-179.6	89.7	-7.5	110.7	G718 L720 L738 L749 S750 S752	G718-R740 CarbonylContact O-C 3.5Å; G718-R740 WeakPolarHBondContact O-CA 3.34Å; G718-R740 WeakPolarHBondContact O-CB 3.35Å; L720-R740 HydrophobicContact CB-CB 4Å; L720-R740 WeakPolarHBondContact O-CD 3.2Å; L738-R740 HydrophobicContact CD1-CB 4.16Å; L738-R740 HydrophobicContact CD1-CG 4.23Å; R740-L749 CarbonylContact O-C 3.32Å; R740-L749 WeakPolarHBondContact O-CA 3.2Å; R740-S750 PolarHBondContact N-O 2.97Å; R740-S750 PolarHBondContact O-N 3.18Å; R740-S752 PolarHBondContact NE-OG 3.33Å
741	D	90.8	Very high	89.2	Confident	25 Å²	25	29.3 Å²	29.3	13%	0.134	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	144.6	169.5	-60.4	1.8	0	0	0	109.2	Y716 G718 P719	Y716-D741 PolarHBondContact OH-OD1 3.02Å; Y716-D741 VanDerWaalsContact OH-OD1 3.13Å; G718-D741 VanDerWaalsContact C-OD1 3.26Å; G718-D741 VanDerWaalsContact CA-OD1 3.26Å; G718-D741 WeakPolarHBondContact CA-OD1 3.27Å; G718-D741 PolarHBondContact O-N 2.85Å; P719-D741 WeakPolarHBondContact CD-OD2 3Å
742	S	90.3	Very high	89.7	Confident	22 Å²	22	25.7 Å²	25.7	15%	0.154	15%	0.151	C	C	.	.			trans	-76.1	136.2	175.9	162.9	0	0	0	0	110.7	H744 Y747 I748	S742-H744 VanDerWaalsContact C-N 3.26Å; S742-H744 PolarHBondContact OG-N 2.86Å; S742-H744 PolarHBondContact OG-O 3.45Å; S742-Y747 WeakPolarHBondContact CB-O 3.46Å; S742-Y747 WeakPolarHBondContact OG-CB 3.39Å; S742-Y747 PolarHBondContact OG-O 2.85Å; S742-I748 PolarHBondContact N-O 2.73Å
743	S	86.4	Confident	89.8	Confident	75 Å²	75	25.4 Å²	25.4	52%	0.524	15%	0.149	S	C	.	.	S	Bend	trans	-78.1	-8.2	169.1	43.3	0	0	0	0	113.4
744	H	84.6	Confident	89.9	Confident	55 Å²	55	24.7 Å²	24.7	26%	0.255	14%	0.136	S	C	.	.	S	Bend	trans	-102.9	126.8	-178	-168.3	-83	0	0	0	111.2	S742 S746 Y747 R763	S742-H744 VanDerWaalsContact C-N 3.26Å; S742-H744 PolarHBondContact OG-N 2.86Å; S742-H744 PolarHBondContact OG-O 3.45Å; H744-S746 PolarHBondContact CE1-OG 3.36Å; H744-S746 PolarHBondContact ND1-OG 3.47Å; H744-S746 PolarHBondContact O-N 3.46Å; H744-Y747 HydrophobicContact CB-CD2 4.29Å; H744-Y747 AromaticContact ND1-CD2 3.54Å; H744-Y747 AromaticContact ND1-CE2 3.9Å; H744-Y747 PolarHBondContact O-N 3.24Å; H744-Y747 VanDerWaalsContact O-O 3.1Å; H744-R763 PolarHBondContact CD2-NH1 3.13Å; H744-R763 PolarHBondContact NE2-NH1 3.25Å
745	D	80.5	Confident	89.9	Confident	76 Å²	76	23 Å²	23	41%	0.406	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.2	-167	-67.6	-46	0	0	0	116	R543	R543-D745 VanDerWaalsContact CG-OD1 3.27Å; R543-D745 WeakPolarHBondContact CG-OD1 3.47Å; R543-D745 IonicContact CZ-OD1 3.43Å; R543-D745 IonicContact CZ-OD2 3.63Å; R543-D745 IonicContact NE-OD1 2.69Å; R543-D745 PolarHBondContact NE-OD1 3.5Å; R543-D745 IonicContact NE-OD2 3.66Å; R543-D745 IonicContact NH2-OD1 3.31Å; R543-D745 PolarHBondContact NH2-OD1 3.48Å; R543-D745 IonicContact NH2-OD2 2.75Å; R543-D745 PolarHBondContact NH2-OD2 3.18Å
746	S	80.7	Confident	89.7	Confident	56 Å²	56	25.7 Å²	25.7	39%	0.392	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6.9	-180	74.2	0	0	0	0	114.9	H744	H744-S746 PolarHBondContact CE1-OG 3.36Å; H744-S746 PolarHBondContact ND1-OG 3.47Å; H744-S746 PolarHBondContact O-N 3.46Å
747	Y	84.2	Confident	89.3	Confident	42 Å²	42	27.1 Å²	27.1	17%	0.165	17%	0.174	C	C	.	.			trans	-132.9	145.3	179.2	-67	-93.1	0	0	0	109.1	S742 H744 R763 E765	S742-Y747 WeakPolarHBondContact CB-O 3.46Å; S742-Y747 WeakPolarHBondContact OG-CB 3.39Å; S742-Y747 PolarHBondContact OG-O 2.85Å; H744-Y747 HydrophobicContact CB-CD2 4.29Å; H744-Y747 AromaticContact ND1-CD2 3.54Å; H744-Y747 AromaticContact ND1-CE2 3.9Å; H744-Y747 PolarHBondContact O-N 3.24Å; H744-Y747 VanDerWaalsContact O-O 3.1Å; Y747-R763 HydrophobicContact CD1-CB 3.5Å; Y747-R763 HydrophobicContact CD2-CB 4.17Å; Y747-R763 HydrophobicContact CD2-CG 4.45Å; Y747-R763 HydrophobicContact CE1-CB 3.77Å; Y747-R763 HydrophobicContact CE2-CB 4.42Å; Y747-R763 HydrophobicContact CG-CB 3.72Å; Y747-R763 HydrophobicContact CG-CG 4.4Å; Y747-E765 HydrophobicContact CE1-CG 4.26Å
748	I	87.2	Confident	89	Confident	31 Å²	31	32.6 Å²	32.6	16%	0.159	20%	0.199	C	C	.	.	S	Bend	trans	-86.5	-43.5	-179.1	-51.1	169.9	0	0	0	110.2	F545 F703 S742 H766	F545-I748 HydrophobicContact CD1-CG2 4.13Å; F545-I748 HydrophobicContact CD2-CG2 4.33Å; F545-I748 HydrophobicContact CE1-CG2 4.18Å; F545-I748 HydrophobicContact CE2-CG2 4.37Å; F545-I748 HydrophobicContact CG-CG2 4.23Å; F545-I748 HydrophobicContact CZ-CG2 4.32Å; F703-I748 HydrophobicContact CE2-CD1 3.76Å; F703-I748 HydrophobicContact CZ-CD1 3.62Å; S742-I748 PolarHBondContact N-O 2.73Å; I748-H766 HydrophobicContact CD1-CB 4.34Å
749	L	92.1	Very high	88.9	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.1	-170.3	-61.5	177.2	0	0	0	111.9	L707 L710 Y716 V739 R740 I764 V787	L707-L749 HydrophobicContact CD2-CD1 4.37Å; L710-L749 HydrophobicContact CD1-CD1 3.63Å; Y716-L749 HydrophobicContact CE2-CD2 3.74Å; V739-L749 HydrophobicContact CG1-CB 4.33Å; V739-L749 HydrophobicContact CG1-CD1 4.39Å; R740-L749 CarbonylContact O-C 3.32Å; R740-L749 WeakPolarHBondContact O-CA 3.2Å; L749-I764 HydrophobicContact CB-CB 4.28Å; L749-I764 HydrophobicContact CB-CD1 3.92Å; L749-I764 HydrophobicContact CB-CG1 4.23Å; L749-I764 HydrophobicContact CD1-CD1 4.41Å; L749-I764 PolarHBondContact O-N 2.89Å; L749-V787 HydrophobicContact CD1-CB 4.31Å; L749-V787 HydrophobicContact CD1-CG1 3.71Å; L749-V787 HydrophobicContact CD1-CG2 3.78Å
750	S	91.8	Very high	88.7	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144	172.2	-64	0	0	0	0	111.1	R740 T762	R740-S750 PolarHBondContact N-O 2.97Å; R740-S750 PolarHBondContact O-N 3.18Å; S750-T762 CarbonylContact C-O 3.56Å; S750-T762 WeakPolarHBondContact CA-O 3.45Å; S750-T762 WeakPolarHBondContact CB-O 3.5Å
751	V	93	Very high	88.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.8	169	-173.7	0	0	0	0	108.3	F737 L738 V739 F753 H761 T762 I764 L773 I791 L870	F737-V751 HydrophobicContact CB-CG1 4.38Å; F737-V751 HydrophobicContact CD2-CG1 4.23Å; L738-V751 WeakPolarHBondContact O-CA 3.45Å; V739-V751 HydrophobicContact CG2-CG2 4.23Å; V751-F753 HydrophobicContact CG1-CD1 4.47Å; V751-H761 WeakPolarHBondContact O-CA 3.43Å; V751-T762 HydrophobicContact CB-CG2 3.97Å; V751-T762 HydrophobicContact CG2-CG2 4.46Å; V751-T762 PolarHBondContact N-O 3.44Å; V751-T762 PolarHBondContact O-N 2.88Å; V751-I764 HydrophobicContact CG2-CD1 3.81Å; V751-I764 HydrophobicContact CG2-CG1 3.88Å; V751-L773 HydrophobicContact CG2-CD1 4.29Å; V751-L773 HydrophobicContact CG2-CD2 3.84Å; V751-I791 HydrophobicContact CG2-CD1 3.81Å; V751-L870 HydrophobicContact CG1-CD1 4.19Å; V751-L870 HydrophobicContact CG1-CD2 4.37Å
752	S	93.6	Very high	88.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130	168.2	-50.4	0	0	0	0	108.2	L729 F737 L738 R740 Y760 H761	L729-S752 WeakPolarHBondContact CD1-O 3.47Å; F737-S752 CarbonylContact C-O 3.58Å; F737-S752 VanDerWaalsContact CA-O 3.25Å; F737-S752 WeakPolarHBondContact CA-O 3.26Å; L738-S752 PolarHBondContact N-O 2.77Å; L738-S752 PolarHBondContact O-N 3.03Å; R740-S752 PolarHBondContact NE-OG 3.33Å; S752-Y760 WeakPolarHBondContact CA-O 3.3Å; S752-H761 VanDerWaalsContact CB-ND1 3.34Å; S752-H761 WeakPolarHBondContact CB-ND1 3.48Å; S752-H761 PolarHBondContact OG-CE1 2.64Å; S752-H761 PolarHBondContact OG-ND1 3.04Å
753	F	92.9	Very high	88.6	Confident	3 Å²	3	37.6 Å²	37.6	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.7	-175	66.5	-83.4	0	0	0	112.1	T736 F737 V751 I759 Y760 T762 L806 I866 A868 L870	T736-F753 CarbonylContact O-C 3.58Å; T736-F753 WeakPolarHBondContact O-CA 3.48Å; F737-F753 HydrophobicContact CB-CB 3.74Å; V751-F753 HydrophobicContact CG1-CD1 4.47Å; F753-I759 WeakPolarHBondContact O-CA 3.48Å; F753-Y760 AromaticContact CE2-CD2 3.88Å; F753-Y760 HydrophobicContact CE2-CD2 3.88Å; F753-Y760 HydrophobicContact CE2-CG 4.33Å; F753-Y760 VanDerWaalsContact CZ-CB 3.46Å; F753-Y760 HydrophobicContact CZ-CD2 4.22Å; F753-Y760 HydrophobicContact CZ-CG 4.24Å; F753-Y760 PolarHBondContact N-O 3.12Å; F753-Y760 PolarHBondContact O-N 3.41Å; F753-T762 HydrophobicContact CE1-CG2 4.36Å; F753-L806 HydrophobicContact CD1-CD1 4.26Å; F753-L806 HydrophobicContact CE1-CD1 3.57Å; F753-L806 HydrophobicContact CE2-CD1 4.45Å; F753-L806 HydrophobicContact CZ-CB 4.41Å; F753-L806 HydrophobicContact CZ-CD1 3.69Å; F753-I866 HydrophobicContact CE2-CG2 4.05Å; F753-I866 HydrophobicContact CZ-CG2 4.22Å; F753-A868 HydrophobicContact CD2-CB 4.11Å; F753-A868 HydrophobicContact CE2-CB 3.5Å; F753-A868 HydrophobicContact CZ-CB 3.82Å; F753-L870 HydrophobicContact CB-CD2 3.68Å; F753-L870 HydrophobicContact CD1-CD2 4.44Å; F753-L870 HydrophobicContact CD2-CD2 4.43Å; F753-L870 HydrophobicContact CG-CD2 3.96Å
754	R	92	Very high	88.7	Confident	49 Å²	49	34.2 Å²	34.2	19%	0.185	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131	175.1	-161.1	-175.1	-170.9	-122.6	-4.9	110.9	L729 C732 D734 G735 T736 G757 Q758	L729-R754 WeakPolarHBondContact O-CD 3.45Å; C732-R754 WeakPolarHBondContact O-CD 3.41Å; C732-R754 VanDerWaalsContact O-CZ 3.32Å; C732-R754 PolarHBondContact O-NE 3.35Å; C732-R754 PolarHBondContact O-NH1 3.39Å; D734-R754 WeakPolarHBondContact OD1-CD 3.07Å; D734-R754 IonicContact OD1-CZ 3.27Å; D734-R754 VanDerWaalsContact OD1-CZ 3.27Å; D734-R754 IonicContact OD1-NE 3.6Å; D734-R754 IonicContact OD1-NH1 2.73Å; D734-R754 PolarHBondContact OD1-NH1 3.34Å; G735-R754 WeakPolarHBondContact CA-O 3.34Å; G735-R754 PolarHBondContact N-O 3.37Å; T736-R754 PolarHBondContact O-N 3.07Å; R754-G757 PolarHBondContact NH2-O 3.12Å; R754-Q758 CarbonylContact C-O 3.49Å; R754-Q758 VanDerWaalsContact CA-O 3.27Å; R754-Q758 WeakPolarHBondContact CA-O 3.18Å; R754-Q758 WeakPolarHBondContact CG-O 3.09Å
755	S	89	Confident	88.8	Confident	25 Å²	25	33.6 Å²	33.6	18%	0.175	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	137	174.5	-172.1	0	0	0	0	110.6	G757 Q758 Y760 K867	S755-G757 PolarHBondContact O-N 3.35Å; S755-Q758 PolarHBondContact N-O 3.15Å; S755-Q758 PolarHBondContact O-N 2.73Å; S755-Q758 VanDerWaalsContact O-N 3.08Å; S755-Y760 WeakPolarHBondContact O-CE2 3.47Å; S755-K867 PolarHBondContact OG-O 2.71Å
756	G	84.9	Confident	89	Confident	63 Å²	63	33 Å²	33	65%	0.649	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	32	-177.3	0	0	0	0	0	113.4	D734 Q758	D734-G756 WeakPolarHBondContact OD2-CA 3.25Å; D734-G756 PolarHBondContact OD2-N 2.84Å; G756-Q758 PolarHBondContact O-N 2.7Å; G756-Q758 VanDerWaalsContact O-N 3.09Å
757	G	85.2	Confident	88.9	Confident	37 Å²	37	37 Å²	37	38%	0.381	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-10.4	-171.9	0	0	0	0	0	115.9	D734 R754 S755	D734-G757 PolarHBondContact OD1-N 3.01Å; D734-G757 PolarHBondContact OD2-N 2.8Å; R754-G757 PolarHBondContact NH2-O 3.12Å; S755-G757 PolarHBondContact O-N 3.35Å
758	Q	88.7	Confident	88.5	Confident	114 Å²	114	39.6 Å²	39.6	53%	0.533	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	166	177	-72.3	175.7	67.6	0	0	111.4	R754 S755 G756 Y760	R754-Q758 CarbonylContact C-O 3.49Å; R754-Q758 VanDerWaalsContact CA-O 3.27Å; R754-Q758 WeakPolarHBondContact CA-O 3.18Å; R754-Q758 WeakPolarHBondContact CG-O 3.09Å; S755-Q758 PolarHBondContact N-O 3.15Å; S755-Q758 PolarHBondContact O-N 2.73Å; S755-Q758 VanDerWaalsContact O-N 3.08Å; G756-Q758 PolarHBondContact O-N 2.7Å; G756-Q758 VanDerWaalsContact O-N 3.09Å; Q758-Y760 HydrophobicContact CB-CE1 4.16Å; Q758-Y760 HydrophobicContact CB-CE2 3.89Å; Q758-Y760 WeakPolarHBondContact CB-OH 3.29Å; Q758-Y760 PolarHBondContact NE2-OH 3.05Å; Q758-Y760 PolarHBondContact OE1-OH 3.25Å; Q758-Y760 VanDerWaalsContact OE1-OH 3.06Å
759	I	91.2	Very high	87.9	Confident	36 Å²	36	39.5 Å²	39.5	19%	0.185	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138	178.1	-48	174.5	0	0	0	107.7	E726 L729 K730 F753	E726-I759 HydrophobicContact CB-CD1 3.95Å; E726-I759 HydrophobicContact CG-CD1 4.22Å; E726-I759 HydrophobicContact CG-CG2 4.32Å; E726-I759 WeakPolarHBondContact O-CD1 3.27Å; L729-I759 HydrophobicContact CB-CD1 4.16Å; L729-I759 HydrophobicContact CB-CG1 4.42Å; L729-I759 HydrophobicContact CB-CG2 4.19Å; L729-I759 HydrophobicContact CD1-CG2 3.94Å; K730-I759 HydrophobicContact CB-CD1 4.11Å; F753-I759 WeakPolarHBondContact O-CA 3.48Å
760	Y	91.3	Very high	87.3	Confident	51 Å²	51	44.5 Å²	44.5	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.9	-175.8	-61.2	-60.2	0	0	0	111.1	S752 F753 S755 Q758 I866	S752-Y760 WeakPolarHBondContact CA-O 3.3Å; F753-Y760 AromaticContact CE2-CD2 3.88Å; F753-Y760 HydrophobicContact CE2-CD2 3.88Å; F753-Y760 HydrophobicContact CE2-CG 4.33Å; F753-Y760 VanDerWaalsContact CZ-CB 3.46Å; F753-Y760 HydrophobicContact CZ-CD2 4.22Å; F753-Y760 HydrophobicContact CZ-CG 4.24Å; F753-Y760 PolarHBondContact N-O 3.12Å; F753-Y760 PolarHBondContact O-N 3.41Å; S755-Y760 WeakPolarHBondContact O-CE2 3.47Å; Q758-Y760 HydrophobicContact CB-CE1 4.16Å; Q758-Y760 HydrophobicContact CB-CE2 3.89Å; Q758-Y760 WeakPolarHBondContact CB-OH 3.29Å; Q758-Y760 PolarHBondContact NE2-OH 3.05Å; Q758-Y760 PolarHBondContact OE1-OH 3.25Å; Q758-Y760 VanDerWaalsContact OE1-OH 3.06Å; Y760-I866 HydrophobicContact CD1-CD1 3.42Å; Y760-I866 VanDerWaalsContact CD1-CD1 3.42Å; Y760-I866 HydrophobicContact CD2-CD1 3.81Å; Y760-I866 HydrophobicContact CD2-CG2 3.96Å; Y760-I866 HydrophobicContact CE1-CD1 3.54Å; Y760-I866 HydrophobicContact CE2-CD1 3.89Å; Y760-I866 HydrophobicContact CE2-CG1 4.36Å; Y760-I866 HydrophobicContact CE2-CG2 4Å; Y760-I866 HydrophobicContact CG-CD1 3.57Å
761	H	91.4	Very high	87	Confident	46 Å²	46	44.6 Å²	44.6	21%	0.213	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.9	178.4	-52.8	-69	0	0	0	109.7	V722 V751 S752	V722-H761 WeakPolarHBondContact CG1-NE2 3.41Å; V751-H761 WeakPolarHBondContact O-CA 3.43Å; S752-H761 VanDerWaalsContact CB-ND1 3.34Å; S752-H761 WeakPolarHBondContact CB-ND1 3.48Å; S752-H761 PolarHBondContact OG-CE1 2.64Å; S752-H761 PolarHBondContact OG-ND1 3.04Å
762	T	89.4	Confident	86.6	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.5	166.6	-174	0	0	0	0	109.5	S750 V751 F753 L773 L806	S750-T762 CarbonylContact C-O 3.56Å; S750-T762 WeakPolarHBondContact CA-O 3.45Å; S750-T762 WeakPolarHBondContact CB-O 3.5Å; V751-T762 HydrophobicContact CB-CG2 3.97Å; V751-T762 HydrophobicContact CG2-CG2 4.46Å; V751-T762 PolarHBondContact N-O 3.44Å; V751-T762 PolarHBondContact O-N 2.88Å; F753-T762 HydrophobicContact CE1-CG2 4.36Å; T762-L773 HydrophobicContact CG2-CD2 3.44Å; T762-L773 VanDerWaalsContact CG2-CD2 3.44Å; T762-L806 HydrophobicContact CG2-CD1 3.86Å; T762-L806 HydrophobicContact CG2-CD2 4.41Å
763	R	89.9	Confident	86	Confident	21 Å²	21	45.9 Å²	45.9	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.6	-178	-52.9	-178.3	-171	152.3	1	108.1	H744 Y747 E765 L809 D811	H744-R763 PolarHBondContact CD2-NH1 3.13Å; H744-R763 PolarHBondContact NE2-NH1 3.25Å; Y747-R763 HydrophobicContact CD1-CB 3.5Å; Y747-R763 HydrophobicContact CD2-CB 4.17Å; Y747-R763 HydrophobicContact CD2-CG 4.45Å; Y747-R763 HydrophobicContact CE1-CB 3.77Å; Y747-R763 HydrophobicContact CE2-CB 4.42Å; Y747-R763 HydrophobicContact CG-CB 3.72Å; Y747-R763 HydrophobicContact CG-CG 4.4Å; R763-E765 PolarHBondContact O-N 3.45Å; R763-L809 HydrophobicContact CG-CD1 4.27Å; R763-D811 IonicContact CZ-OD1 3.15Å; R763-D811 IonicContact NH2-OD1 2.71Å; R763-D811 PolarHBondContact NH2-OD1 2.85Å
764	I	89.5	Confident	84.7	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.9	179.2	-52.9	-176.2	0	0	0	107.8	V739 L749 V751 F771 L773 V787 I791	V739-I764 HydrophobicContact CG1-CD1 4.02Å; L749-I764 HydrophobicContact CB-CB 4.28Å; L749-I764 HydrophobicContact CB-CD1 3.92Å; L749-I764 HydrophobicContact CB-CG1 4.23Å; L749-I764 HydrophobicContact CD1-CD1 4.41Å; L749-I764 PolarHBondContact O-N 2.89Å; V751-I764 HydrophobicContact CG2-CD1 3.81Å; V751-I764 HydrophobicContact CG2-CG1 3.88Å; I764-F771 HydrophobicContact CG2-CB 4.35Å; I764-F771 HydrophobicContact CG2-CD1 4.2Å; I764-L773 HydrophobicContact CG1-CD2 4.15Å; I764-L773 HydrophobicContact CG1-CG 4.47Å; I764-V787 HydrophobicContact CD1-CG1 4.02Å; I764-I791 HydrophobicContact CD1-CD1 4.3Å
765	E	86.5	Confident	82.8	Confident	42 Å²	42	46.9 Å²	46.9	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	147	175.8	-63.1	-178.4	119.4	0	0	110.7	Y747 R763 F771 S772 L775	Y747-E765 HydrophobicContact CE1-CG 4.26Å; R763-E765 PolarHBondContact O-N 3.45Å; E765-F771 WeakPolarHBondContact O-CA 3.31Å; E765-S772 WeakPolarHBondContact CB-OG 3.33Å; E765-S772 PolarHBondContact N-O 3.19Å; E765-S772 PolarHBondContact O-N 3.36Å; E765-S772 PolarHBondContact OE2-OG 3.07Å; E765-L775 HydrophobicContact CG-CD1 4.23Å; E765-L775 VanDerWaalsContact OE1-CD1 3.24Å; E765-L775 WeakPolarHBondContact OE1-CD1 2.96Å; E765-L775 WeakPolarHBondContact OE1-CG 3.3Å
766	H	83.9	Confident	80.8	Confident	65 Å²	65	50.7 Å²	50.7	30%	0.301	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	114.9	171.6	175.4	-108.3	0	0	0	110.3	F703 I748 G769 K770 F771	F703-H766 AromaticContact CD2-CE1 3.62Å; F703-H766 AromaticContact CD2-NE2 3.42Å; F703-H766 WeakPolarHBondContact CD2-NE2 3.34Å; F703-H766 AromaticContact CE2-CD2 3.96Å; F703-H766 AromaticContact CE2-CE1 3.29Å; F703-H766 WeakPolarHBondContact CE2-CE1 3.41Å; F703-H766 AromaticContact CE2-ND1 3.69Å; F703-H766 AromaticContact CE2-NE2 3.47Å; F703-H766 WeakPolarHBondContact CE2-NE2 3.18Å; I748-H766 HydrophobicContact CD1-CB 4.34Å; H766-G769 VanDerWaalsContact NE2-CA 3.34Å; H766-G769 WeakPolarHBondContact NE2-CA 3.4Å; H766-K770 WeakPolarHBondContact CA-O 3.26Å; H766-K770 PolarHBondContact CD2-O 3.32Å; H766-F771 HydrophobicContact CB-CD1 3.89Å; H766-F771 HydrophobicContact CB-CE1 3.8Å; H766-F771 AromaticContact CD2-CD1 3.77Å; H766-F771 AromaticContact CD2-CE1 3.38Å; H766-F771 WeakPolarHBondContact CD2-CE1 3.33Å; H766-F771 AromaticContact CD2-CE2 3.92Å; H766-F771 AromaticContact CD2-CZ 3.47Å; H766-F771 VanDerWaalsContact CD2-CZ 3.47Å; H766-F771 WeakPolarHBondContact CD2-CZ 3.48Å; H766-F771 AromaticContact CG-CE1 3.72Å
767	L	80.1	Confident	78.7	Confident	139 Å²	139	54.2 Å²	54.2	73%	0.728	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	132	-178.9	-177.8	65	0	0	0	108.9	G769 K770	L767-G769 VanDerWaalsContact C-N 3.33Å; L767-G769 PolarHBondContact O-N 3.11Å; L767-K770 PolarHBondContact N-O 3.31Å; L767-K770 WeakPolarHBondContact O-CB 3.24Å; L767-K770 PolarHBondContact O-N 3.29Å
768	A	74.8	Confident	76.9	Confident	96 Å²	96	57.2 Å²	57.2	79%	0.793	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	43.5	176.5	0	0	0	0	0	115.4	K770	A768-K770 VanDerWaalsContact C-N 3.29Å; A768-K770 PolarHBondContact O-N 3.14Å
769	G	74.2	Confident	74.9	Confident	30 Å²	30	58.3 Å²	58.3	31%	0.309	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	20.1	178.8	0	0	0	0	0	114.2	H766 L767	H766-G769 VanDerWaalsContact NE2-CA 3.34Å; H766-G769 WeakPolarHBondContact NE2-CA 3.4Å; L767-G769 VanDerWaalsContact C-N 3.33Å; L767-G769 PolarHBondContact O-N 3.11Å
770	K	80.7	Confident	73	Confident	107 Å²	107	63.7 Å²	63.7	47%	0.465	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.3	-167.7	-103.9	177	178.5	-172.1	0	110.7	H766 L767 A768 V783 S784	H766-K770 WeakPolarHBondContact CA-O 3.26Å; H766-K770 PolarHBondContact CD2-O 3.32Å; L767-K770 PolarHBondContact N-O 3.31Å; L767-K770 WeakPolarHBondContact O-CB 3.24Å; L767-K770 PolarHBondContact O-N 3.29Å; A768-K770 VanDerWaalsContact C-N 3.29Å; A768-K770 PolarHBondContact O-N 3.14Å; K770-V783 HydrophobicContact CB-CG1 3.6Å; K770-V783 HydrophobicContact CD-CB 4.47Å; K770-V783 HydrophobicContact CD-CG1 3.82Å; K770-V783 HydrophobicContact CG-CG1 3.84Å; K770-S784 CarbonylContact C-O 3.59Å; K770-S784 VanDerWaalsContact CA-O 3.27Å; K770-S784 WeakPolarHBondContact CA-O 3.27Å
771	F	86.2	Confident	71.5	Confident	5 Å²	5	67.3 Å²	67.3	2%	0.022	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.8	-172	-61.1	-86.7	0	0	0	113.1	F703 I764 E765 H766 S784 V787 C790	F703-F771 HydrophobicContact CD2-CE2 4.45Å; F703-F771 AromaticContact CD2-CZ 3.83Å; F703-F771 HydrophobicContact CD2-CZ 3.83Å; F703-F771 HydrophobicContact CE2-CE1 4.45Å; F703-F771 AromaticContact CE2-CZ 3.92Å; F703-F771 HydrophobicContact CE2-CZ 3.92Å; I764-F771 HydrophobicContact CG2-CB 4.35Å; I764-F771 HydrophobicContact CG2-CD1 4.2Å; E765-F771 WeakPolarHBondContact O-CA 3.31Å; H766-F771 HydrophobicContact CB-CD1 3.89Å; H766-F771 HydrophobicContact CB-CE1 3.8Å; H766-F771 AromaticContact CD2-CD1 3.77Å; H766-F771 AromaticContact CD2-CE1 3.38Å; H766-F771 WeakPolarHBondContact CD2-CE1 3.33Å; H766-F771 AromaticContact CD2-CE2 3.92Å; H766-F771 AromaticContact CD2-CZ 3.47Å; H766-F771 VanDerWaalsContact CD2-CZ 3.47Å; H766-F771 WeakPolarHBondContact CD2-CZ 3.48Å; H766-F771 AromaticContact CG-CE1 3.72Å; F771-S784 PolarHBondContact N-O 2.87Å; F771-S784 WeakPolarHBondContact O-CB 3.46Å; F771-S784 PolarHBondContact O-N 3.48Å; F771-S784 PolarHBondContact O-OG 3.06Å; F771-V787 HydrophobicContact CD1-CG2 3.54Å; F771-V787 HydrophobicContact CD2-CG2 4.07Å; F771-V787 HydrophobicContact CE1-CG2 3.43Å; F771-V787 VanDerWaalsContact CE1-CG2 3.43Å; F771-V787 HydrophobicContact CE2-CG2 3.98Å; F771-V787 HydrophobicContact CG-CG2 3.86Å; F771-V787 HydrophobicContact CZ-CG2 3.66Å; F771-C790 HydrophobicContact CB-CB 4.37Å
772	S	84.1	Confident	70.3	Confident	18 Å²	18	68.2 Å²	68.2	13%	0.126	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.1	176.8	43.6	0	0	0	0	112.1	E765	E765-S772 WeakPolarHBondContact CB-OG 3.33Å; E765-S772 PolarHBondContact N-O 3.19Å; E765-S772 PolarHBondContact O-N 3.36Å; E765-S772 PolarHBondContact OE2-OG 3.07Å
773	L	79.5	Confident	69.6	Low	8 Å²	8	70.6 Å²	70.6	4%	0.042	39%	0.392	C	S	.	.	S	Bend	trans	-116.7	-10.2	177.9	-100.7	169.1	0	0	0	113.8	V751 T762 I764 I791 V794 L806	V751-L773 HydrophobicContact CG2-CD1 4.29Å; V751-L773 HydrophobicContact CG2-CD2 3.84Å; T762-L773 HydrophobicContact CG2-CD2 3.44Å; T762-L773 VanDerWaalsContact CG2-CD2 3.44Å; I764-L773 HydrophobicContact CG1-CD2 4.15Å; I764-L773 HydrophobicContact CG1-CG 4.47Å; L773-I791 HydrophobicContact CD1-CD1 3.95Å; L773-V794 HydrophobicContact CB-CG2 4.46Å; L773-V794 HydrophobicContact CD1-CB 4.46Å; L773-V794 HydrophobicContact CD1-CG2 3.95Å; L773-L806 HydrophobicContact CB-CD2 4.3Å; L773-L806 HydrophobicContact CD2-CD2 4.45Å; L773-L806 WeakPolarHBondContact O-CD2 3.36Å
774	A	65.7	Low	69.3	Low	24 Å²	24	69.6 Å²	69.6	20%	0.198	39%	0.388	C	S	.	.			trans	-135.8	127.9	-179.9	0	0	0	0	0	110	L776	A774-L776 PolarHBondContact O-N 2.89Å
775	L	53.7	Low	69	Low	49 Å²	49	71.8 Å²	71.8	26%	0.257	40%	0.403	S	S	.	.			trans	-68.4	8.1	179	-90	74.9	0	0	0	114.4	E765 I816 I818	E765-L775 HydrophobicContact CG-CD1 4.23Å; E765-L775 VanDerWaalsContact OE1-CD1 3.24Å; E765-L775 WeakPolarHBondContact OE1-CD1 2.96Å; E765-L775 WeakPolarHBondContact OE1-CG 3.3Å; L775-I816 HydrophobicContact CD2-CB 4.04Å; L775-I816 HydrophobicContact CD2-CD1 4.11Å; L775-I816 HydrophobicContact CD2-CG2 4.19Å; L775-I818 HydrophobicContact CD2-CD1 4.14Å; L775-I818 HydrophobicContact CG-CD1 4.42Å
776	L	45.5	Very low	69	Low	105 Å²	105	70.6 Å²	70.6	55%	0.55	40%	0.4	S	S	.	.			trans	-88.7	127.1	-167.8	-141.8	73.4	0	0	0	111.7	A774 D778	A774-L776 PolarHBondContact O-N 2.89Å; L776-D778 PolarHBondContact O-N 2.98Å
777	N	42.2	Very low	69.3	Low	137 Å²	137	67.6 Å²	67.6	73%	0.733	39%	0.386	S	S	*	.			trans	-73.2	28.1	-165.9	-68.3	-53.4	0	0	0	115.8	L779	N777-L779 VanDerWaalsContact C-N 3.32Å; N777-L779 PolarHBondContact O-N 3.06Å
778	D	46.5	Very low	69.8	Low	100 Å²	100	62 Å²	62	54%	0.535	36%	0.36	S	S	.	.			trans	-77.9	80.5	-178.7	-71.8	-38.6	0	0	0	112.2	L776	L776-D778 PolarHBondContact O-N 2.98Å
779	L	46.9	Very low	70.4	Confident	138 Å²	138	60 Å²	60	72%	0.723	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	30.3	91.3	156.3	-70	79.9	0	0	0	116.2	N777 N781	N777-L779 VanDerWaalsContact C-N 3.32Å; N777-L779 PolarHBondContact O-N 3.06Å; L779-N781 PolarHBondContact O-N 3.35Å
780	N	51	Low	71.1	Confident	148 Å²	148	58.6 Å²	58.6	79%	0.791	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	-21.1	157.8	-62.4	-32.9	0	0	0	119.3
781	N	59.6	Low	71.5	Confident	128 Å²	128	53.5 Å²	53.5	68%	0.684	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.4	-168.2	-70.5	-18.8	0	0	0	114.7	L779 V783	L779-N781 PolarHBondContact O-N 3.35Å; N781-V783 VanDerWaalsContact C-N 3.32Å; N781-V783 PolarHBondContact O-N 3.05Å
782	N	65.6	Low	71.6	Confident	64 Å²	64	56.9 Å²	56.9	34%	0.342	31%	0.313	S	S	.	.	S	Bend	trans	-87.6	5.7	-171.9	-64.6	-14.9	0	0	0	114.2
783	V	76.1	Confident	71.6	Confident	54 Å²	54	59.4 Å²	59.4	33%	0.327	32%	0.32	S	S	.	.			trans	-114.6	130.8	-169.9	-161.7	0	0	0	0	111.4	K770 N781	K770-V783 HydrophobicContact CB-CG1 3.6Å; K770-V783 HydrophobicContact CD-CB 4.47Å; K770-V783 HydrophobicContact CD-CG1 3.82Å; K770-V783 HydrophobicContact CG-CG1 3.84Å; N781-V783 VanDerWaalsContact C-N 3.32Å; N781-V783 PolarHBondContact O-N 3.05Å
784	S	83.8	Confident	71.9	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-106.3	149.6	-166.3	-41.6	0	0	0	0	112.5	K770 F771 S786 E789 C790 R793	K770-S784 CarbonylContact C-O 3.59Å; K770-S784 VanDerWaalsContact CA-O 3.27Å; K770-S784 WeakPolarHBondContact CA-O 3.27Å; F771-S784 PolarHBondContact N-O 2.87Å; F771-S784 WeakPolarHBondContact O-CB 3.46Å; F771-S784 PolarHBondContact O-N 3.48Å; F771-S784 PolarHBondContact O-OG 3.06Å; S784-S786 VanDerWaalsContact CB-O 3.27Å; S784-S786 WeakPolarHBondContact CB-O 3.36Å; S784-E789 VanDerWaalsContact CA-OE1 3.29Å; S784-E789 WeakPolarHBondContact CA-OE1 3.44Å; S784-C790 WeakPolarHBondContact OG-CA 3.11Å; S784-C790 WeakPolarHBondContact OG-CB 3.05Å; S784-C790 PolarHBondContact OG-N 3.09Å; S784-R793 PolarHBondContact OG-NH1 3.48Å
785	S	82.9	Confident	72.9	Confident	49 Å²	49	59 Å²	59	34%	0.343	32%	0.315	S	S	.	.	S	Bend	trans	-83.6	-11.9	175.5	81.2	0	0	0	0	114	K702 E789	K702-S785 WeakPolarHBondContact CE-O 3.49Å; K702-S785 PolarHBondContact NZ-O 2.75Å; K702-S785 PolarHBondContact NZ-OG 2.79Å; S785-E789 WeakPolarHBondContact CA-OE2 3.44Å; S785-E789 VanDerWaalsContact CB-OE2 3.3Å; S785-E789 WeakPolarHBondContact CB-OE2 3.31Å; S785-E789 PolarHBondContact N-OE1 3.28Å; S785-E789 PolarHBondContact N-OE2 2.86Å; S785-E789 PolarHBondContact OG-OE2 2.84Å
786	S	86.5	Confident	74.4	Confident	18 Å²	18	60.4 Å²	60.4	13%	0.126	33%	0.325	C	S	.	.	S	Bend	trans	-145.6	163.5	172.6	72.9	0	0	0	0	110.9	D706 S784 E789 C790	D706-S786 VanDerWaalsContact OD2-CB 3.24Å; D706-S786 WeakPolarHBondContact OD2-CB 3.41Å; S784-S786 VanDerWaalsContact CB-O 3.27Å; S784-S786 WeakPolarHBondContact CB-O 3.36Å; S786-E789 PolarHBondContact N-OE2 2.58Å; S786-E789 VanDerWaalsContact OG-CB 3.25Å; S786-E789 WeakPolarHBondContact OG-CB 3.39Å; S786-E789 PolarHBondContact OG-N 2.84Å; S786-C790 PolarHBondContact O-N 2.87Å
787	V	89.2	Confident	76.1	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-39.4	175	176.4	0	0	0	0	111.7	L707 L710 L749 I764 F771 E789 C790 I791	L707-V787 HydrophobicContact CD2-CG2 4.16Å; L710-V787 HydrophobicContact CD1-CB 4.02Å; L710-V787 HydrophobicContact CD1-CG1 3.99Å; L710-V787 HydrophobicContact CD1-CG2 4.29Å; L710-V787 HydrophobicContact CD2-CB 4.15Å; L710-V787 HydrophobicContact CD2-CG1 4.21Å; L749-V787 HydrophobicContact CD1-CB 4.31Å; L749-V787 HydrophobicContact CD1-CG1 3.71Å; L749-V787 HydrophobicContact CD1-CG2 3.78Å; I764-V787 HydrophobicContact CD1-CG1 4.02Å; F771-V787 HydrophobicContact CD1-CG2 3.54Å; F771-V787 HydrophobicContact CD2-CG2 4.07Å; F771-V787 HydrophobicContact CE1-CG2 3.43Å; F771-V787 VanDerWaalsContact CE1-CG2 3.43Å; F771-V787 HydrophobicContact CE2-CG2 3.98Å; F771-V787 HydrophobicContact CG-CG2 3.86Å; F771-V787 HydrophobicContact CZ-CG2 3.66Å; V787-E789 PolarHBondContact O-N 2.86Å; V787-C790 VanDerWaalsContact O-CB 3.3Å; V787-C790 WeakPolarHBondContact O-CB 3.41Å; V787-C790 PolarHBondContact O-N 3.05Å; V787-C790 VanDerWaalsContact O-N 3.14Å; V787-I791 HydrophobicContact CG1-CG1 4.44Å; V787-I791 WeakPolarHBondContact O-CG1 3.4Å; V787-I791 PolarHBondContact O-N 3.44Å
788	A	90.3	Very high	78	Confident	20 Å²	20	50.2 Å²	50.2	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-47.3	179.4	0	0	0	0	0	111.1	I713 C790 I791 E792	I713-A788 HydrophobicContact CD1-CB 3.97Å; A788-C790 VanDerWaalsContact C-N 3.26Å; A788-C790 PolarHBondContact O-N 2.99Å; A788-I791 PolarHBondContact O-N 3.46Å; A788-E792 WeakPolarHBondContact O-CB 3.48Å; A788-E792 VanDerWaalsContact O-CG 3.31Å; A788-E792 WeakPolarHBondContact O-CG 3.33Å; A788-E792 PolarHBondContact O-N 2.98Å
789	E	88.6	Confident	79.6	Confident	54 Å²	54	51.2 Å²	51.2	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-34.7	174.1	-172.6	-155.1	134.4	0	0	112.6	S784 S785 S786 V787 R793	S784-E789 VanDerWaalsContact CA-OE1 3.29Å; S784-E789 WeakPolarHBondContact CA-OE1 3.44Å; S785-E789 WeakPolarHBondContact CA-OE2 3.44Å; S785-E789 VanDerWaalsContact CB-OE2 3.3Å; S785-E789 WeakPolarHBondContact CB-OE2 3.31Å; S785-E789 PolarHBondContact N-OE1 3.28Å; S785-E789 PolarHBondContact N-OE2 2.86Å; S785-E789 PolarHBondContact OG-OE2 2.84Å; S786-E789 PolarHBondContact N-OE2 2.58Å; S786-E789 VanDerWaalsContact OG-CB 3.25Å; S786-E789 WeakPolarHBondContact OG-CB 3.39Å; S786-E789 PolarHBondContact OG-N 2.84Å; V787-E789 PolarHBondContact O-N 2.86Å; E789-R793 WeakPolarHBondContact O-CB 3.41Å; E789-R793 PolarHBondContact O-N 2.94Å; E789-R793 PolarHBondContact O-NH1 2.98Å; E789-R793 IonicContact OE1-CZ 2.86Å; E789-R793 IonicContact OE1-NH1 3.95Å; E789-R793 IonicContact OE1-NH2 3.67Å; E789-R793 PolarHBondContact OE1-NH2 2.9Å
790	C	88.8	Confident	81	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-50	175.5	-164.9	0	0	0	0	112	F771 S784 S786 V787 A788 V794	F771-C790 HydrophobicContact CB-CB 4.37Å; S784-C790 WeakPolarHBondContact OG-CA 3.11Å; S784-C790 WeakPolarHBondContact OG-CB 3.05Å; S784-C790 PolarHBondContact OG-N 3.09Å; S786-C790 PolarHBondContact O-N 2.87Å; V787-C790 VanDerWaalsContact O-CB 3.3Å; V787-C790 WeakPolarHBondContact O-CB 3.41Å; V787-C790 PolarHBondContact O-N 3.05Å; V787-C790 VanDerWaalsContact O-N 3.14Å; A788-C790 VanDerWaalsContact C-N 3.26Å; A788-C790 PolarHBondContact O-N 2.99Å; C790-V794 WeakPolarHBondContact O-CG2 3.47Å; C790-V794 PolarHBondContact O-N 3.49Å
791	I	89.8	Confident	81.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.4	-59.9	-61.4	0	0	0	110.6	W715 F737 V739 V751 I764 L773 V787 A788 R793 V794 M795	W715-I791 HydrophobicContact CH2-CB 4.14Å; W715-I791 HydrophobicContact CH2-CG1 3.8Å; W715-I791 HydrophobicContact CH2-CG2 4.43Å; W715-I791 HydrophobicContact CZ2-CB 3.96Å; W715-I791 HydrophobicContact CZ2-CG1 4.15Å; W715-I791 HydrophobicContact CZ2-CG2 3.97Å; W715-I791 HydrophobicContact CZ3-CG1 4.2Å; F737-I791 HydrophobicContact CE2-CG2 3.59Å; F737-I791 HydrophobicContact CZ-CG2 3.72Å; V739-I791 HydrophobicContact CG2-CD1 3.82Å; V739-I791 HydrophobicContact CG2-CG1 4.11Å; V751-I791 HydrophobicContact CG2-CD1 3.81Å; I764-I791 HydrophobicContact CD1-CD1 4.3Å; L773-I791 HydrophobicContact CD1-CD1 3.95Å; V787-I791 HydrophobicContact CG1-CG1 4.44Å; V787-I791 WeakPolarHBondContact O-CG1 3.4Å; V787-I791 PolarHBondContact O-N 3.44Å; A788-I791 PolarHBondContact O-N 3.46Å; I791-R793 PolarHBondContact O-N 3.46Å; I791-V794 PolarHBondContact O-N 2.97Å; I791-M795 HydrophobicContact CG2-CE 4.23Å; I791-M795 HydrophobicContact CG2-CG 4.34Å; I791-M795 HydrophobicContact CG2-SD 4.41Å; I791-M795 WeakPolarHBondContact O-CB 3.25Å; I791-M795 WeakPolarHBondContact O-CG 3.46Å; I791-M795 PolarHBondContact O-N 3.43Å
792	E	88	Confident	81.9	Confident	75 Å²	75	49 Å²	49	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-42.5	178.7	-75.6	172.1	-164.8	0	0	112.7	Y441 A788 M795 V796	Y441-E792 PolarHBondContact OH-OE1 3.44Å; Y441-E792 VanDerWaalsContact OH-OE1 3.13Å; A788-E792 WeakPolarHBondContact O-CB 3.48Å; A788-E792 VanDerWaalsContact O-CG 3.31Å; A788-E792 WeakPolarHBondContact O-CG 3.33Å; A788-E792 PolarHBondContact O-N 2.98Å; E792-M795 HydrophobicContact CB-CE 4.38Å; E792-M795 HydrophobicContact CG-CE 3.89Å; E792-M795 PolarHBondContact O-N 2.97Å; E792-V796 VanDerWaalsContact O-CG2 3.31Å; E792-V796 WeakPolarHBondContact O-CG2 3.26Å; E792-V796 PolarHBondContact O-N 2.95Å
793	R	84.4	Confident	81.4	Confident	71 Å²	71	48.8 Å²	48.8	27%	0.268	24%	0.244	S	C	.	.	H	α-helix	trans	-63.4	-48	174.8	-172.3	-172.8	-66	89.2	-4.7	111.9	S784 E789 I791 M795 V796 D797	S784-R793 PolarHBondContact OG-NH1 3.48Å; E789-R793 WeakPolarHBondContact O-CB 3.41Å; E789-R793 PolarHBondContact O-N 2.94Å; E789-R793 PolarHBondContact O-NH1 2.98Å; E789-R793 IonicContact OE1-CZ 2.86Å; E789-R793 IonicContact OE1-NH1 3.95Å; E789-R793 IonicContact OE1-NH2 3.67Å; E789-R793 PolarHBondContact OE1-NH2 2.9Å; I791-R793 PolarHBondContact O-N 3.46Å; R793-M795 VanDerWaalsContact C-N 3.29Å; R793-M795 PolarHBondContact O-N 3.32Å; R793-V796 PolarHBondContact O-N 2.99Å; R793-V796 VanDerWaalsContact O-N 3.15Å; R793-D797 PolarHBondContact O-N 3.32Å
794	V	85.1	Confident	80.7	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-33.3	179.5	177.2	0	0	0	0	111.5	L773 C790 I791 S798 H804 L870	L773-V794 HydrophobicContact CB-CG2 4.46Å; L773-V794 HydrophobicContact CD1-CB 4.46Å; L773-V794 HydrophobicContact CD1-CG2 3.95Å; C790-V794 WeakPolarHBondContact O-CG2 3.47Å; C790-V794 PolarHBondContact O-N 3.49Å; I791-V794 PolarHBondContact O-N 2.97Å; V794-S798 VanDerWaalsContact O-CB 3.27Å; V794-S798 WeakPolarHBondContact O-CB 3.39Å; V794-S798 PolarHBondContact O-N 3.03Å; V794-S798 PolarHBondContact O-OG 3.27Å; V794-H804 HydrophobicContact CG1-CB 4.39Å; V794-L870 HydrophobicContact CB-CD1 4.31Å; V794-L870 HydrophobicContact CG1-CB 4.27Å; V794-L870 HydrophobicContact CG1-CD1 3.61Å; V794-L870 HydrophobicContact CG1-CG 3.82Å
795	M	87.2	Confident	79.6	Confident	17 Å²	17	52.9 Å²	52.9	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-52.1	168.9	-72.3	-169.6	-62.2	0	0	111.5	F737 I791 E792 R793 D797 S798 F799 L870	F737-M795 HydrophobicContact CE1-CG 3.96Å; F737-M795 HydrophobicContact CE1-SD 3.8Å; F737-M795 HydrophobicContact CZ-CG 3.93Å; F737-M795 HydrophobicContact CZ-SD 3.58Å; F737-M795 VanDerWaalsContact CZ-SD 3.58Å; I791-M795 HydrophobicContact CG2-CE 4.23Å; I791-M795 HydrophobicContact CG2-CG 4.34Å; I791-M795 HydrophobicContact CG2-SD 4.41Å; I791-M795 WeakPolarHBondContact O-CB 3.25Å; I791-M795 WeakPolarHBondContact O-CG 3.46Å; I791-M795 PolarHBondContact O-N 3.43Å; E792-M795 HydrophobicContact CB-CE 4.38Å; E792-M795 HydrophobicContact CG-CE 3.89Å; E792-M795 PolarHBondContact O-N 2.97Å; R793-M795 VanDerWaalsContact C-N 3.29Å; R793-M795 PolarHBondContact O-N 3.32Å; M795-D797 VanDerWaalsContact C-N 3.33Å; M795-D797 PolarHBondContact O-N 2.74Å; M795-S798 CarbonylContact O-C 3.36Å; M795-S798 WeakPolarHBondContact O-CA 3.48Å; M795-S798 WeakPolarHBondContact O-CB 3.46Å; M795-S798 PolarHBondContact O-N 2.85Å; M795-F799 HydrophobicContact CB-CD2 4.45Å; M795-F799 HydrophobicContact CB-CE2 4.33Å; M795-F799 WeakPolarHBondContact O-CD2 3.47Å; M795-F799 PolarHBondContact O-N 3.29Å; M795-L870 WeakPolarHBondContact CA-O 3.47Å; M795-L870 HydrophobicContact CG-CB 4.4Å; M795-L870 WeakPolarHBondContact CG-O 3.38Å
796	V	84.4	Confident	78.7	Confident	77 Å²	77	50.6 Å²	50.6	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-41.8	-179.1	168	0	0	0	0	112.1	E792 R793 F799 Q800	E792-V796 VanDerWaalsContact O-CG2 3.31Å; E792-V796 WeakPolarHBondContact O-CG2 3.26Å; E792-V796 PolarHBondContact O-N 2.95Å; R793-V796 PolarHBondContact O-N 2.99Å; R793-V796 VanDerWaalsContact O-N 3.15Å; V796-F799 PolarHBondContact O-N 3.3Å; V796-Q800 WeakPolarHBondContact O-CG 3.11Å; V796-Q800 PolarHBondContact O-N 3.44Å
797	D	81.2	Confident	77.4	Confident	22 Å²	22	50.6 Å²	50.6	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-43	172.9	-76.3	-37.3	0	0	0	111.5	R793 M795 F799 Q800 D801 R802 H804	R793-D797 PolarHBondContact O-N 3.32Å; M795-D797 VanDerWaalsContact C-N 3.33Å; M795-D797 PolarHBondContact O-N 2.74Å; D797-F799 VanDerWaalsContact C-N 3.29Å; D797-F799 PolarHBondContact O-N 2.8Å; D797-Q800 CarbonylContact O-C 3.57Å; D797-Q800 WeakPolarHBondContact O-CA 3.42Å; D797-Q800 PolarHBondContact O-N 3.21Å; D797-D801 PolarHBondContact O-N 3.42Å; D797-R802 CarbonylContact C-O 3.55Å; D797-R802 HydrophobicContact CB-CB 3.83Å; D797-R802 WeakPolarHBondContact O-CB 3.2Å; D797-R802 PolarHBondContact O-N 2.8Å; D797-R802 VanDerWaalsContact OD1-CD 3.24Å; D797-R802 WeakPolarHBondContact OD1-CD 3.47Å; D797-R802 IonicContact OD1-NH1 3.7Å; D797-H804 VanDerWaalsContact CB-NE2 3.31Å; D797-H804 WeakPolarHBondContact CB-NE2 3.37Å; D797-H804 IonicContact OD2-CD2 3.16Å; D797-H804 IonicContact OD2-CE1 2.73Å; D797-H804 IonicContact OD2-NE2 3.38Å; D797-H804 PolarHBondContact OD2-NE2 3.08Å
798	S	82.9	Confident	75.7	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-34.9	176.4	-60.2	0	0	0	0	112.9	V794 M795 Q800 S869 L870	V794-S798 VanDerWaalsContact O-CB 3.27Å; V794-S798 WeakPolarHBondContact O-CB 3.39Å; V794-S798 PolarHBondContact O-N 3.03Å; V794-S798 PolarHBondContact O-OG 3.27Å; M795-S798 CarbonylContact O-C 3.36Å; M795-S798 WeakPolarHBondContact O-CA 3.48Å; M795-S798 WeakPolarHBondContact O-CB 3.46Å; M795-S798 PolarHBondContact O-N 2.85Å; S798-Q800 VanDerWaalsContact C-N 3.3Å; S798-S869 WeakPolarHBondContact OG-CA 3.42Å; S798-L870 PolarHBondContact OG-N 2.78Å
799	F	79.5	Confident	73.8	Confident	121 Å²	121	53.6 Å²	53.6	53%	0.531	26%	0.256	S	S	.	.	H	α-helix	trans	-74.8	-15.2	172.8	-75.9	-66.8	0	0	0	113.8	M795 V796 D797 I871	M795-F799 HydrophobicContact CB-CD2 4.45Å; M795-F799 HydrophobicContact CB-CE2 4.33Å; M795-F799 WeakPolarHBondContact O-CD2 3.47Å; M795-F799 PolarHBondContact O-N 3.29Å; V796-F799 PolarHBondContact O-N 3.3Å; D797-F799 VanDerWaalsContact C-N 3.29Å; D797-F799 PolarHBondContact O-N 2.8Å; F799-I871 HydrophobicContact CD1-CG2 4.26Å; F799-I871 HydrophobicContact CE1-CG2 3.52Å; F799-I871 HydrophobicContact CZ-CG2 3.81Å; F799-I871 WeakPolarHBondContact CZ-O 3.4Å
800	Q	75.5	Confident	71.5	Confident	98 Å²	98	56.4 Å²	56.4	46%	0.458	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14.6	176.5	-69.2	179.2	31.5	0	0	112.6	V796 D797 S798 R802	V796-Q800 WeakPolarHBondContact O-CG 3.11Å; V796-Q800 PolarHBondContact O-N 3.44Å; D797-Q800 CarbonylContact O-C 3.57Å; D797-Q800 WeakPolarHBondContact O-CA 3.42Å; D797-Q800 PolarHBondContact O-N 3.21Å; S798-Q800 VanDerWaalsContact C-N 3.3Å; Q800-R802 HydrophobicContact CB-CG 4.02Å; Q800-R802 PolarHBondContact O-N 3.35Å; Q800-R802 VanDerWaalsContact O-N 3.08Å; Q800-R802 VanDerWaalsContact OE1-NE 3.1Å
801	D	68.1	Low	69.4	Low	125 Å²	125	62.2 Å²	62.2	67%	0.668	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	24.5	-170.2	-78	-52.3	0	0	0	114	D797 M803	D797-D801 PolarHBondContact O-N 3.42Å; D801-M803 VanDerWaalsContact O-CG 3.27Å; D801-M803 WeakPolarHBondContact O-CG 3.06Å; D801-M803 PolarHBondContact O-N 3.47Å
802	R	62.7	Low	66.9	Low	146 Å²	146	67.2 Å²	67.2	55%	0.551	34%	0.338	S	S	*	.			trans	-84.8	98.8	173.4	-64.7	176.7	-179.7	-169.9	3.1	108.4	D797 Q800 H804	D797-R802 CarbonylContact C-O 3.55Å; D797-R802 HydrophobicContact CB-CB 3.83Å; D797-R802 WeakPolarHBondContact O-CB 3.2Å; D797-R802 PolarHBondContact O-N 2.8Å; D797-R802 VanDerWaalsContact OD1-CD 3.24Å; D797-R802 WeakPolarHBondContact OD1-CD 3.47Å; D797-R802 IonicContact OD1-NH1 3.7Å; Q800-R802 HydrophobicContact CB-CG 4.02Å; Q800-R802 PolarHBondContact O-N 3.35Å; Q800-R802 VanDerWaalsContact O-N 3.08Å; Q800-R802 VanDerWaalsContact OE1-NE 3.1Å; R802-H804 PolarHBondContact O-N 3.16Å
803	M	54.5	Low	64.1	Low	59 Å²	59	66.7 Å²	66.7	29%	0.291	34%	0.343	S	S	.	.			trans	-79.5	112.6	-161.4	-46.5	-126.9	93.5	0	0	111.2	D801 F805 K867	D801-M803 VanDerWaalsContact O-CG 3.27Å; D801-M803 WeakPolarHBondContact O-CG 3.06Å; D801-M803 PolarHBondContact O-N 3.47Å; M803-F805 HydrophobicContact CB-CE2 4.46Å; M803-K867 HydrophobicContact CB-CG 4.43Å; M803-K867 HydrophobicContact CE-CD 3.74Å; M803-K867 HydrophobicContact CE-CG 4.05Å; M803-K867 HydrophobicContact SD-CD 3.55Å; M803-K867 VanDerWaalsContact SD-CD 3.55Å; M803-K867 WeakPolarHBondContact SD-CE 3.33Å; M803-K867 HydrophobicContact SD-CG 3.84Å; M803-K867 PolarHBondContact SD-NZ 2.73Å
804	H	61.9	Low	61.5	Low	30 Å²	30	68.1 Å²	68.1	14%	0.139	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.5	174.8	-82.7	-78.8	0	0	0	110.8	V794 D797 R802 A868	V794-H804 HydrophobicContact CG1-CB 4.39Å; D797-H804 VanDerWaalsContact CB-NE2 3.31Å; D797-H804 WeakPolarHBondContact CB-NE2 3.37Å; D797-H804 IonicContact OD2-CD2 3.16Å; D797-H804 IonicContact OD2-CE1 2.73Å; D797-H804 IonicContact OD2-NE2 3.38Å; D797-H804 PolarHBondContact OD2-NE2 3.08Å; R802-H804 PolarHBondContact O-N 3.16Å; H804-A868 PolarHBondContact O-N 3.13Å
805	F	59.3	Low	58.9	Low	110 Å²	110	71.3 Å²	71.3	48%	0.482	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	76.7	-174.3	-82.8	-68	0	0	0	111.4	M803 H865 I866	M803-F805 HydrophobicContact CB-CE2 4.46Å; F805-H865 HydrophobicContact CB-CB 3.98Å; F805-H865 HydrophobicContact CD1-CB 3.83Å; F805-H865 HydrophobicContact CG-CB 4.29Å; F805-H865 PolarHBondContact O-ND1 3Å; F805-H865 VanDerWaalsContact O-ND1 3.1Å; F805-I866 CarbonylContact C-O 3.58Å; F805-I866 WeakPolarHBondContact CA-O 3.22Å
806	L	64.8	Low	56.3	Low	2 Å²	2	75.4 Å²	75.4	1%	0.01	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.7	-177.5	-59.4	178.7	0	0	0	110.7	F753 T762 L773 I866 A868	F753-L806 HydrophobicContact CD1-CD1 4.26Å; F753-L806 HydrophobicContact CE1-CD1 3.57Å; F753-L806 HydrophobicContact CE2-CD1 4.45Å; F753-L806 HydrophobicContact CZ-CB 4.41Å; F753-L806 HydrophobicContact CZ-CD1 3.69Å; T762-L806 HydrophobicContact CG2-CD1 3.86Å; T762-L806 HydrophobicContact CG2-CD2 4.41Å; L773-L806 HydrophobicContact CB-CD2 4.3Å; L773-L806 HydrophobicContact CD2-CD2 4.45Å; L773-L806 WeakPolarHBondContact O-CD2 3.36Å; L806-I866 PolarHBondContact N-O 2.74Å; L806-I866 PolarHBondContact O-N 3.21Å; L806-A868 HydrophobicContact CB-CB 4.34Å; L806-A868 HydrophobicContact CD1-CB 3.37Å; L806-A868 HydrophobicContact CG-CB 3.74Å
807	P	58.1	Low	53.5	Low	18 Å²	18	76.1 Å²	76.1	12%	0.117	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.4	-179.7	29.6	-34.1	0	0	0	111.7	L809	P807-L809 PolarHBondContact O-N 2.62Å
808	T	53.5	Low	51.1	Low	40 Å²	40	79 Å²	79	25%	0.245	42%	0.421	C	S	.	.			trans	-65.4	111.9	160.8	47.2	0	0	0	0	109.7	T864 I866	T808-T864 WeakPolarHBondContact CG2-O 3.27Å; T808-T864 PolarHBondContact N-O 3.49Å; T808-T864 PolarHBondContact OG1-O 3.32Å; T808-T864 PolarHBondContact OG1-OG1 2.63Å; T808-I866 HydrophobicContact CG2-CD1 3.33Å; T808-I866 HydrophobicContact CG2-CG1 3.89Å
809	L	51.1	Low	48.4	Very low	45 Å²	45	83.1 Å²	83.1	24%	0.236	44%	0.443	C	S	.	.			trans	-99.9	97.2	168.1	-71.2	174.3	0	0	0	109.2	R763 P807 D811	R763-L809 HydrophobicContact CG-CD1 4.27Å; P807-L809 PolarHBondContact O-N 2.62Å; L809-D811 PolarHBondContact O-N 2.68Å
810	D	41.3	Very low	45.9	Very low	113 Å²	113	83.3 Å²	83.3	60%	0.604	45%	0.454	S	S	*	.			trans	-60.9	130.6	166.5	-66.5	-29.6	0	0	0	109	S812 S813	D810-S812 PolarHBondContact O-N 3.48Å; D810-S813 PolarHBondContact O-N 3.32Å
811	D	43	Very low	43.5	Very low	124 Å²	124	86.1 Å²	86.1	66%	0.663	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	11.5	-173.3	-83.6	-44.3	0	0	0	115.4	R763 L809	R763-D811 IonicContact CZ-OD1 3.15Å; R763-D811 IonicContact NH2-OD1 2.71Å; R763-D811 PolarHBondContact NH2-OD1 2.85Å; L809-D811 PolarHBondContact O-N 2.68Å
812	S	37.9	Very low	41.6	Very low	104 Å²	104	86.4 Å²	86.4	73%	0.727	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-2.2	170.3	58.9	0	0	0	0	114.4	D810 P814	D810-S812 PolarHBondContact O-N 3.48Å; S812-P814 VanDerWaalsContact O-CD 3.23Å; S812-P814 WeakPolarHBondContact O-CD 3.36Å
813	S	30.3	Very low	39.9	Very low	64 Å²	64	88.1 Å²	88.1	45%	0.448	49%	0.492	S	S	.	.			trans	-100.8	102.5	-175.5	-65.2	0	0	0	0	113.1	D810	D810-S813 PolarHBondContact O-N 3.32Å
814	P	28.9	Very low	38.4	Very low	101 Å²	101	94.5 Å²	94.5	66%	0.656	52%	0.518	S	S	*	.			trans	-74.2	129.9	169.8	30.6	-33.3	0	0	0	110.8	S812	S812-P814 VanDerWaalsContact O-CD 3.23Å; S812-P814 WeakPolarHBondContact O-CD 3.36Å
815	S	31	Very low	36.7	Very low	75 Å²	75	100.1 Å²	100.1	52%	0.524	55%	0.548	S	S	.	.			trans	40.1	102.8	162.4	57.8	0	0	0	0	117.4	N817	S815-N817 PolarHBondContact O-N 3.28Å
816	I	31.8	Very low	35.1	Very low	103 Å²	103	101.4 Å²	101.4	53%	0.528	56%	0.56	S	S	.	*			trans	-61.6	109.7	150.8	-64.4	-178	0	0	0	106.3	L775 I818	L775-I816 HydrophobicContact CD2-CB 4.04Å; L775-I816 HydrophobicContact CD2-CD1 4.11Å; L775-I816 HydrophobicContact CD2-CG2 4.19Å; I816-I818 VanDerWaalsContact C-N 3.3Å; I816-I818 HydrophobicContact CG2-CD1 4.48Å; I816-I818 HydrophobicContact CG2-CG1 3.97Å; I816-I818 PolarHBondContact O-N 3.48Å
817	N	25.4	Very low	33.2	Very low	93 Å²	93	108.6 Å²	108.6	50%	0.497	60%	0.598	S	S	.	*			trans	-85.9	71.8	-164.2	-164.1	-23.8	0	0	0	109.8	Y535 S815 N819	Y535-N817 WeakPolarHBondContact CE2-OD1 3.36Å; Y535-N817 PolarHBondContact OH-OD1 2.93Å; S815-N817 PolarHBondContact O-N 3.28Å; N817-N819 PolarHBondContact O-N 3.14Å
818	I	30.6	Very low	31.9	Very low	83 Å²	83	114.4 Å²	114.4	43%	0.426	63%	0.628	S	S	.	*			trans	-74.9	64.9	173.7	-46.9	-174.3	0	0	0	109.5	L775 I816 T820	L775-I818 HydrophobicContact CD2-CD1 4.14Å; L775-I818 HydrophobicContact CG-CD1 4.42Å; I816-I818 VanDerWaalsContact C-N 3.3Å; I816-I818 HydrophobicContact CG2-CD1 4.48Å; I816-I818 HydrophobicContact CG2-CG1 3.97Å; I816-I818 PolarHBondContact O-N 3.48Å; I818-T820 PolarHBondContact O-N 2.82Å
819	N	26.5	Very low	30.8	Very low	92 Å²	92	120.3 Å²	120.3	49%	0.492	65%	0.653	S	S	.	*			trans	-61.9	122.5	145.9	-107.8	-37	0	0	0	106.9	Y535 N817 N821	Y535-N819 WeakPolarHBondContact CE2-ND2 3.1Å; Y535-N819 PolarHBondContact OH-ND2 3.1Å; Y535-N819 PolarHBondContact OH-OD1 2.71Å; N817-N819 PolarHBondContact O-N 3.14Å; N819-N821 PolarHBondContact O-N 2.84Å
820	T	27.5	Very low	29.9	Very low	124 Å²	124	124.7 Å²	124.7	76%	0.761	67%	0.672	S	S	*	*	S	Bend	trans	-71.5	74	179.7	49.5	0	0	0	0	110.8	I818	I818-T820 PolarHBondContact O-N 2.82Å
821	N	25.1	Very low	29.4	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	68%	0.68	S	S	*	*			trans	-165.3	47	174.1	-97.7	-30.6	0	0	0	111.9	N819	N819-N821 PolarHBondContact O-N 2.84Å
822	V	28.3	Very low	28.8	Very low	131 Å²	131	126 Å²	126	79%	0.794	68%	0.682	S	S	*	*			trans	-105.2	86.9	171	-174.6	0	0	0	0	109.8
823	Q	27	Very low	28.6	Very low	182 Å²	182	127 Å²	127	85%	0.85	68%	0.679	S	S	*	*			trans	8.8	105.3	162.2	-67.4	172.8	-29.6	0	0	117.3
824	F	23.4	Very low	28.9	Very low	193 Å²	193	131.9 Å²	131.9	85%	0.846	70%	0.695	S	S	*	*			trans	-56.2	145.2	144.3	-74.8	-92.6	0	0	0	109.3	N826	F824-N826 PolarHBondContact O-N 2.64Å
825	I	25.6	Very low	29.1	Very low	149 Å²	149	135.2 Å²	135.2	76%	0.764	70%	0.701	S	S	*	*			trans	-73.4	98.8	166.8	-62.2	175.7	0	0	0	107.1	N827	I825-N827 PolarHBondContact O-N 3.08Å
826	N	26.6	Very low	29.2	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	71%	0.71	S	S	*	*			trans	-70.9	78.3	174.3	-71.6	1.1	0	0	0	110.4	F824 D828	F824-N826 PolarHBondContact O-N 2.64Å; N826-D828 PolarHBondContact O-N 3.1Å; N826-D828 VanDerWaalsContact O-N 3.08Å
827	N	24.8	Very low	29.5	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	72%	0.721	S	S	*	*			trans	-80.9	65.7	164.8	-90.9	7.5	0	0	0	110.1	I825	I825-N827 PolarHBondContact O-N 3.08Å
828	D	29.4	Very low	29.9	Very low	140 Å²	140	145 Å²	145	75%	0.749	73%	0.729	S	S	*	*			trans	-119.7	102.9	171.4	-101.3	-43.1	0	0	0	109.1	N826	N826-D828 PolarHBondContact O-N 3.1Å; N826-D828 VanDerWaalsContact O-N 3.08Å
829	Q	30.4	Very low	30	Very low	165 Å²	165	148.9 Å²	148.9	77%	0.771	75%	0.745	S	S	*	*				163.4	145.1	123.2	-91.4	177.9	10.4	0	0	114.9
830	H	32.7	Very low	30.6	Very low	137 Å²	137	152.7 Å²	152.7	63%	0.634	76%	0.76	S	S	*	*			trans	46.7	108.2	154.8	-61.5	-61.9	0	0	0	119.1
831	Q	30.3	Very low	30.9	Very low	163 Å²	163	155.3 Å²	155.3	76%	0.762	76%	0.761	S	S	*	*				89.1	153.3	72.4	-89.6	-177.3	-41.2	0	0	114.9
832	S	30.8	Very low	31.2	Very low	101 Å²	101	154.5 Å²	154.5	71%	0.706	76%	0.757	S	S	*	*			trans	66.6	107.8	168.8	35.8	0	0	0	0	119.4
833	D	34.9	Very low	31.5	Very low	126 Å²	126	154.5 Å²	154.5	67%	0.674	75%	0.753	S	S	*	*				80.9	112.2	126.9	-65.7	-68.3	0	0	0	123.8
834	Q	35.9	Very low	32	Very low	166 Å²	166	151.9 Å²	151.9	78%	0.776	74%	0.744	S	S	*	*				78	91.9	125	-64.7	177.6	53.7	0	0	122
835	H	32.5	Very low	32.6	Very low	171 Å²	171	148.9 Å²	148.9	79%	0.792	74%	0.737	S	S	*	*				80.8	110.3	107.9	-142.8	61.1	0	0	0	121
836	R	33.4	Very low	33.1	Very low	188 Å²	188	148.2 Å²	148.2	71%	0.709	74%	0.735	S	S	*	*				98	149.8	128.2	-156.8	175.7	-176.7	-117.4	-0.1	119.7
837	Q	39.3	Very low	33.6	Very low	162 Å²	162	149.2 Å²	149.2	76%	0.757	74%	0.741	S	S	*	*			trans	87.7	93.3	175.5	-51.3	-174.2	42.4	0	0	113.9
838	L	32	Very low	34.1	Very low	125 Å²	125	148.5 Å²	148.5	65%	0.654	74%	0.737	S	S	*	*				84.2	105.7	63.8	-72.2	167.5	0	0	0	114.3
839	Q	34.5	Very low	34.4	Very low	166 Å²	166	148.6 Å²	148.6	78%	0.776	74%	0.737	S	S	*	*				40.4	131.7	129.3	-59.2	172.7	-5.6	0	0	119.8
840	Q	38.4	Very low	34.5	Very low	172 Å²	172	147.1 Å²	147.1	80%	0.804	74%	0.74	S	S	*	*				-171.7	141.4	113.5	-101.9	172.8	42.6	0	0	115.9
841	F	33.7	Very low	34.7	Very low	178 Å²	178	146.3 Å²	146.3	78%	0.781	75%	0.749	S	S	*	*			trans	53.2	115.8	154.1	-70.5	-67.3	0	0	0	124.9
842	N	31.4	Very low	34.7	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	75%	0.754	S	S	*	*			trans	-45.3	155.1	143.3	-69	-32.3	0	0	0	113.5
843	N	35.2	Very low	34.7	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	76%	0.755	S	S	*	*				-179.1	138.2	109.1	-93.6	-28.1	0	0	0	116.4
844	N	36.6	Very low	34.2	Very low	126 Å²	126	151.6 Å²	151.6	67%	0.674	77%	0.766	S	S	*	*			trans	71.1	120.8	137.7	-64.1	-16.7	0	0	0	123.9
845	N	36.7	Very low	34.1	Very low	131 Å²	131	152 Å²	152	70%	0.701	77%	0.767	S	S	*	*				80.7	109	129	-64.2	-15.7	0	0	0	122
846	N	35	Very low	34.1	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	76%	0.763	S	S	*	*				40.9	114.7	120.2	-54.5	-15.2	0	0	0	119.2
847	N	37.6	Very low	33.7	Very low	158 Å²	158	146.2 Å²	146.2	85%	0.845	77%	0.769	S	S	*	*				-168.6	163.8	98.7	-97.9	-46.1	0	0	0	113
848	N	35.5	Very low	33.4	Very low	138 Å²	138	149.7 Å²	149.7	74%	0.738	78%	0.776	S	S	*	*			trans	-82	137.7	-176.6	-48.4	-68.9	0	0	0	112.1
849	N	36.3	Very low	33.1	Very low	142 Å²	142	154.4 Å²	154.4	76%	0.759	79%	0.785	S	S	*	*				160.4	129.3	116.8	-80.1	-26.8	0	0	0	113.1
850	T	31	Very low	32.9	Very low	134 Å²	134	151.6 Å²	151.6	82%	0.822	78%	0.784	S	S	*	*			trans	35.1	97.7	152	53.3	0	0	0	0	119.1
851	S	37.1	Very low	32.6	Very low	120 Å²	120	149.1 Å²	149.1	84%	0.839	78%	0.78	S	S	*	*			trans	-151.3	141.3	147.4	-75.7	0	0	0	0	108.7
852	Q	30.6	Very low	32.6	Very low	184 Å²	184	145.5 Å²	145.5	86%	0.86	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.9	142.6	179.7	-71.4	-178.1	-28.8	0	0	111.6
853	P	32	Very low	33.4	Very low	111 Å²	111	142.3 Å²	142.3	72%	0.721	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-100.9	140.6	143.1	-8.3	27.6	0	0	0	110.9
854	F	24.3	Very low	34.5	Very low	206 Å²	206	140.2 Å²	140.2	90%	0.904	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-71.9	120.3	161	-121.5	-115.1	0	0	0	107.5
855	E	31.9	Very low	35.8	Very low	173 Å²	173	138.7 Å²	138.7	81%	0.808	74%	0.743	S	S	*	*			trans	-127.3	133.7	175.2	-162.3	64.1	-98.4	0	0	110.2
856	S	32.5	Very low	37.3	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	72%	0.716	S	S	*	*			trans	-81.3	139.6	-159.9	-67.1	0	0	0	0	114.3	R858	S856-R858 PolarHBondContact O-N 3.4Å
857	T	26.8	Very low	39	Very low	138 Å²	138	132.5 Å²	132.5	85%	0.847	71%	0.705	S	S	*	*			trans	-43	101.4	176.4	-53.9	0	0	0	0	114.2
858	R	31.4	Very low	40.6	Very low	236 Å²	236	125 Å²	125	89%	0.891	67%	0.665	S	S	*	*			trans	-112	102.8	156.8	-73.8	-165.7	-179.9	-146.8	2.1	109.4	S856 S860	S856-R858 PolarHBondContact O-N 3.4Å; R858-S860 PolarHBondContact O-N 3.15Å
859	R	26.5	Very low	42.8	Very low	224 Å²	224	119.4 Å²	119.4	85%	0.845	64%	0.636	S	S	*	*			trans	-75.5	90.4	173.3	-175.7	-179.1	-67.4	-157.5	-0.8	109.2	T861	R859-T861 PolarHBondContact O-N 3.42Å; R859-T861 VanDerWaalsContact O-N 3.15Å
860	S	30.6	Very low	45.3	Very low	107 Å²	107	112.6 Å²	112.6	75%	0.748	60%	0.6	S	S	*	*			trans	-67.4	104.1	173.1	53.6	0	0	0	0	110.6	R858 S862	R858-S860 PolarHBondContact O-N 3.15Å; S860-S862 PolarHBondContact O-N 3.04Å
861	T	32	Very low	48	Very low	119 Å²	119	108.4 Å²	108.4	73%	0.73	57%	0.572	S	S	*	*			trans	-75.6	89.1	174.4	48.7	0	0	0	0	110.2	R859 T863	R859-T861 PolarHBondContact O-N 3.42Å; R859-T861 VanDerWaalsContact O-N 3.15Å; T861-T863 PolarHBondContact O-N 3.05Å; T861-T863 VanDerWaalsContact O-N 3.09Å
862	S	33.5	Very low	50.5	Low	103 Å²	103	106.4 Å²	106.4	72%	0.72	55%	0.549	S	S	*	.			trans	-74.9	91.3	175.8	54.6	0	0	0	0	110.8	S860 T864	S860-S862 PolarHBondContact O-N 3.04Å; S862-T864 PolarHBondContact O-N 2.93Å
863	T	49.1	Very low	53.5	Low	73 Å²	73	99.1 Å²	99.1	45%	0.448	52%	0.518	S	S	.	.			trans	-67.9	100	172.4	45.9	0	0	0	0	110.1	T861 H865	T861-T863 PolarHBondContact O-N 3.05Å; T861-T863 VanDerWaalsContact O-N 3.09Å; T863-H865 PolarHBondContact O-CD2 2.89Å; T863-H865 PolarHBondContact O-N 2.85Å; T863-H865 VanDerWaalsContact O-N 3.15Å
864	T	58	Low	56.4	Low	87 Å²	87	94.4 Å²	94.4	53%	0.534	49%	0.487	S	S	.	.			trans	-71.2	105.7	176.9	39.4	0	0	0	0	110.4	T808 S862 I866	T808-T864 WeakPolarHBondContact CG2-O 3.27Å; T808-T864 PolarHBondContact N-O 3.49Å; T808-T864 PolarHBondContact OG1-O 3.32Å; T808-T864 PolarHBondContact OG1-OG1 2.63Å; S862-T864 PolarHBondContact O-N 2.93Å; T864-I866 PolarHBondContact O-N 3.42Å
865	H	64.1	Low	59.5	Low	94 Å²	94	85.9 Å²	85.9	44%	0.435	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.5	173.3	-69.7	-96.3	0	0	0	110.6	F805 T863	F805-H865 HydrophobicContact CB-CB 3.98Å; F805-H865 HydrophobicContact CD1-CB 3.83Å; F805-H865 HydrophobicContact CG-CB 4.29Å; F805-H865 PolarHBondContact O-ND1 3Å; F805-H865 VanDerWaalsContact O-ND1 3.1Å; T863-H865 PolarHBondContact O-CD2 2.89Å; T863-H865 PolarHBondContact O-N 2.85Å; T863-H865 VanDerWaalsContact O-N 3.15Å
866	I	68.5	Low	62.2	Low	23 Å²	23	78.2 Å²	78.2	12%	0.118	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129	173.9	-72	160.6	0	0	0	109.2	F753 Y760 F805 L806 T808 T864 A868	F753-I866 HydrophobicContact CE2-CG2 4.05Å; F753-I866 HydrophobicContact CZ-CG2 4.22Å; Y760-I866 HydrophobicContact CD1-CD1 3.42Å; Y760-I866 VanDerWaalsContact CD1-CD1 3.42Å; Y760-I866 HydrophobicContact CD2-CD1 3.81Å; Y760-I866 HydrophobicContact CD2-CG2 3.96Å; Y760-I866 HydrophobicContact CE1-CD1 3.54Å; Y760-I866 HydrophobicContact CE2-CD1 3.89Å; Y760-I866 HydrophobicContact CE2-CG1 4.36Å; Y760-I866 HydrophobicContact CE2-CG2 4Å; Y760-I866 HydrophobicContact CG-CD1 3.57Å; F805-I866 CarbonylContact C-O 3.58Å; F805-I866 WeakPolarHBondContact CA-O 3.22Å; L806-I866 PolarHBondContact N-O 2.74Å; L806-I866 PolarHBondContact O-N 3.21Å; T808-I866 HydrophobicContact CG2-CD1 3.33Å; T808-I866 HydrophobicContact CG2-CG1 3.89Å; T864-I866 PolarHBondContact O-N 3.42Å; I866-A868 PolarHBondContact O-N 3.47Å; I866-A868 VanDerWaalsContact O-N 3.12Å
867	K	69.9	Low	64.7	Low	112 Å²	112	77.8 Å²	77.8	49%	0.487	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	109.8	160.5	178.5	-163.8	-72.3	-146.9	0	108.2	S755 M803	S755-K867 PolarHBondContact OG-O 2.71Å; M803-K867 HydrophobicContact CB-CG 4.43Å; M803-K867 HydrophobicContact CE-CD 3.74Å; M803-K867 HydrophobicContact CE-CG 4.05Å; M803-K867 HydrophobicContact SD-CD 3.55Å; M803-K867 VanDerWaalsContact SD-CD 3.55Å; M803-K867 WeakPolarHBondContact SD-CE 3.33Å; M803-K867 HydrophobicContact SD-CG 3.84Å; M803-K867 PolarHBondContact SD-NZ 2.73Å
868	A	70.3	Confident	67.4	Low	1 Å²	1	75.1 Å²	75.1	1%	0.008	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131	175.3	0	0	0	0	0	110.3	F753 H804 L806 I866	F753-A868 HydrophobicContact CD2-CB 4.11Å; F753-A868 HydrophobicContact CE2-CB 3.5Å; F753-A868 HydrophobicContact CZ-CB 3.82Å; H804-A868 PolarHBondContact O-N 3.13Å; L806-A868 HydrophobicContact CB-CB 4.34Å; L806-A868 HydrophobicContact CD1-CB 3.37Å; L806-A868 HydrophobicContact CG-CB 3.74Å; I866-A868 PolarHBondContact O-N 3.47Å; I866-A868 VanDerWaalsContact O-N 3.12Å
869	S	82.9	Confident	69.8	Low	20 Å²	20	65.9 Å²	65.9	14%	0.14	35%	0.35	C	S	.	.			trans	-120.4	109.1	171.2	-59.6	0	0	0	0	106.9	G735 S798 I871	G735-S869 WeakPolarHBondContact CA-O 3.21Å; S798-S869 WeakPolarHBondContact OG-CA 3.42Å; S869-I871 PolarHBondContact O-N 2.98Å
870	L	87.9	Confident	72.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.348	C	S	.	.			trans	-87.8	94.9	176.7	-56.7	-170.3	0	0	0	107.9	F737 V751 F753 V794 M795 S798	F737-L870 HydrophobicContact CB-CD2 3.86Å; F737-L870 HydrophobicContact CD1-CB 3.78Å; F737-L870 HydrophobicContact CD1-CD2 4.44Å; F737-L870 HydrophobicContact CE1-CB 4Å; F737-L870 HydrophobicContact CG-CB 4.19Å; F737-L870 HydrophobicContact CG-CD2 4.12Å; V751-L870 HydrophobicContact CG1-CD1 4.19Å; V751-L870 HydrophobicContact CG1-CD2 4.37Å; F753-L870 HydrophobicContact CB-CD2 3.68Å; F753-L870 HydrophobicContact CD1-CD2 4.44Å; F753-L870 HydrophobicContact CD2-CD2 4.43Å; F753-L870 HydrophobicContact CG-CD2 3.96Å; V794-L870 HydrophobicContact CB-CD1 4.31Å; V794-L870 HydrophobicContact CG1-CB 4.27Å; V794-L870 HydrophobicContact CG1-CD1 3.61Å; V794-L870 HydrophobicContact CG1-CG 3.82Å; M795-L870 WeakPolarHBondContact CA-O 3.47Å; M795-L870 HydrophobicContact CG-CB 4.4Å; M795-L870 WeakPolarHBondContact CG-O 3.38Å; S798-L870 PolarHBondContact OG-N 2.78Å
871	I	87.8	Confident	74.9	Confident	45 Å²	45	58 Å²	58	23%	0.231	32%	0.323	C	S	.	.			trans	-109.4	-48.4	-169.9	-52.1	175.8	0	0	0	110.9	G735 F799 S869 P873	G735-I871 PolarHBondContact O-N 3.23Å; F799-I871 HydrophobicContact CD1-CG2 4.26Å; F799-I871 HydrophobicContact CE1-CG2 3.52Å; F799-I871 HydrophobicContact CZ-CG2 3.81Å; F799-I871 WeakPolarHBondContact CZ-O 3.4Å; S869-I871 PolarHBondContact O-N 2.98Å; I871-P873 WeakPolarHBondContact O-CD 3.47Å
872	H	90.3	Very high	77.5	Confident	78 Å²	78	54.3 Å²	54.3	36%	0.361	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	101.2	-169.2	-47.1	108.9	0	0	0	111.1	S733 D734 G735 T736 F737 L874	S733-H872 PolarHBondContact OG-ND1 3.05Å; D734-H872 PolarHBondContact O-ND1 2.59Å; G735-H872 PolarHBondContact O-N 3.38Å; T736-H872 CarbonylContact C-O 3.49Å; T736-H872 VanDerWaalsContact CA-O 3.29Å; T736-H872 WeakPolarHBondContact CA-O 3.06Å; T736-H872 HydrophobicContact CG2-CB 4.5Å; T736-H872 WeakPolarHBondContact CG2-O 3.34Å; F737-H872 PolarHBondContact N-O 3.32Å; H872-L874 PolarHBondContact O-N 2.94Å
873	P	93.3	Very high	80.1	Confident	32 Å²	32	53.9 Å²	53.9	21%	0.208	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	111.9	178	24.8	-31.8	0	0	0	111.9	W715 F737 I871 S875	W715-P873 HydrophobicContact CB-CB 3.84Å; W715-P873 HydrophobicContact CG-CB 4.13Å; F737-P873 HydrophobicContact CE1-CB 3.91Å; F737-P873 HydrophobicContact CZ-CB 3.78Å; I871-P873 WeakPolarHBondContact O-CD 3.47Å; P873-S875 PolarHBondContact O-N 2.96Å
874	L	92.8	Very high	81.9	Confident	11 Å²	11	54.8 Å²	54.8	6%	0.058	30%	0.296	C	S	.	.			trans	-73.2	101.2	178.4	-173.5	68.3	0	0	0	110.8	W717 L728 L729 T736 F737 L738 H872 L878 L930	W717-L874 HydrophobicContact CZ2-CD2 4.28Å; W717-L874 HydrophobicContact CZ2-CG 4.18Å; W717-L874 PolarHBondContact NE1-O 2.94Å; L728-L874 HydrophobicContact CB-CD2 3.95Å; L729-L874 HydrophobicContact CD2-CD2 4.28Å; T736-L874 HydrophobicContact CG2-CB 3.89Å; T736-L874 HydrophobicContact CG2-CD1 4.45Å; F737-L874 WeakPolarHBondContact O-CB 3.29Å; F737-L874 PolarHBondContact O-N 3.05Å; L738-L874 HydrophobicContact CB-CB 4.47Å; L738-L874 HydrophobicContact CD2-CD2 4.1Å; H872-L874 PolarHBondContact O-N 2.94Å; L874-L878 HydrophobicContact CD1-CD1 3.95Å; L874-L930 HydrophobicContact CD1-CD1 4.38Å; L874-L930 HydrophobicContact CD1-CD2 4.04Å
875	S	90.6	Very high	83.1	Confident	27 Å²	27	50.8 Å²	50.8	19%	0.189	27%	0.271	C	S	.	.			trans	-80.6	129.1	-176	-175.6	0	0	0	0	113.4	G714 P873 F877 L878	G714-S875 WeakPolarHBondContact O-CA 3.42Å; P873-S875 PolarHBondContact O-N 2.96Å; S875-F877 PolarHBondContact O-N 2.9Å; S875-F877 PolarHBondContact OG-N 3.49Å; S875-F877 VanDerWaalsContact OG-N 3.14Å; S875-L878 WeakPolarHBondContact O-CD1 3.44Å; S875-L878 VanDerWaalsContact O-CG 3.23Å; S875-L878 WeakPolarHBondContact O-CG 3.44Å; S875-L878 PolarHBondContact O-N 3.29Å
876	R	87.6	Confident	84	Confident	13 Å²	13	48.9 Å²	48.9	5%	0.049	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-67.8	-5.7	167.2	72.3	-175.6	152.8	97.7	3.2	113.9	K711 I713 G714 Y716 W717 L878 Y919 Y926	K711-R876 PolarHBondContact O-NH2 2.92Å; I713-R876 PolarHBondContact O-NH2 2.9Å; G714-R876 PolarHBondContact O-N 2.86Å; Y716-R876 WeakPolarHBondContact O-CD 3.38Å; Y716-R876 PolarHBondContact O-NE 3.2Å; W717-R876 HydrophobicContact CD2-CB 3.92Å; W717-R876 HydrophobicContact CE3-CB 4.06Å; W717-R876 HydrophobicContact CH2-CB 3.95Å; W717-R876 HydrophobicContact CZ2-CB 3.79Å; W717-R876 HydrophobicContact CZ3-CB 4.08Å; R876-L878 VanDerWaalsContact C-N 3.3Å; R876-Y919 VanDerWaalsContact NH1-CD1 3.32Å; R876-Y926 PolarHBondContact O-OH 3.31Å
877	F	85	Confident	84.8	Confident	91 Å²	91	49.1 Å²	49.1	40%	0.399	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-89	7.3	175.5	-55.2	-46.8	0	0	0	113.5	G714 S875 I879	G714-F877 VanDerWaalsContact CA-CE2 3.48Å; S875-F877 PolarHBondContact O-N 2.9Å; S875-F877 PolarHBondContact OG-N 3.49Å; S875-F877 VanDerWaalsContact OG-N 3.14Å; F877-I879 PolarHBondContact O-N 3.25Å
878	L	83.6	Confident	85.5	Confident	81 Å²	81	44 Å²	44	42%	0.424	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.7	-22.2	172.6	-74	170.1	0	0	0	113.6	L874 S875 R876 Y926 L929 L930	L874-L878 HydrophobicContact CD1-CD1 3.95Å; S875-L878 WeakPolarHBondContact O-CD1 3.44Å; S875-L878 VanDerWaalsContact O-CG 3.23Å; S875-L878 WeakPolarHBondContact O-CG 3.44Å; S875-L878 PolarHBondContact O-N 3.29Å; R876-L878 VanDerWaalsContact C-N 3.3Å; L878-Y926 HydrophobicContact CB-CD1 4.43Å; L878-Y926 HydrophobicContact CB-CE1 4.34Å; L878-L929 HydrophobicContact CB-CD1 4.48Å; L878-L929 WeakPolarHBondContact O-CD1 3.29Å; L878-L930 HydrophobicContact CD1-CD2 4.48Å
879	I	81.3	Confident	85.9	Confident	42 Å²	42	46 Å²	46	22%	0.215	25%	0.254	C	S	.	.	S	Bend	trans	-126.7	134.8	176.8	-61.6	-176.3	0	0	0	109	F877 P881 A925 Y926 L929	F877-I879 PolarHBondContact O-N 3.25Å; I879-P881 WeakPolarHBondContact O-CD 3.44Å; I879-A925 HydrophobicContact CD1-CB 3.74Å; I879-A925 VanDerWaalsContact CD1-O 3.31Å; I879-A925 WeakPolarHBondContact CD1-O 3.45Å; I879-Y926 HydrophobicContact CB-CD1 4.39Å; I879-Y926 HydrophobicContact CB-CE1 3.78Å; I879-Y926 HydrophobicContact CD1-CD1 3.81Å; I879-Y926 HydrophobicContact CD1-CD2 4.19Å; I879-Y926 HydrophobicContact CD1-CE1 4.06Å; I879-Y926 HydrophobicContact CD1-CE2 4.42Å; I879-Y926 HydrophobicContact CD1-CG 3.87Å; I879-Y926 HydrophobicContact CG1-CD1 3.92Å; I879-Y926 HydrophobicContact CG1-CE1 3.8Å; I879-Y926 HydrophobicContact CG1-CG 4.48Å; I879-L929 HydrophobicContact CD1-CB 4.21Å; I879-L929 HydrophobicContact CD1-CD1 4.13Å; I879-L929 HydrophobicContact CG1-CD1 3.65Å
880	V	82.5	Confident	85.8	Confident	132 Å²	132	46.8 Å²	46.8	80%	0.8	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-71.7	118.7	172.7	-178	0	0	0	0	108.6
881	P	82.4	Confident	85.7	Confident	35 Å²	35	48.3 Å²	48.3	23%	0.227	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-68.1	161.2	180	-17.4	31	0	0	0	112.5	I879 H885 L886	I879-P881 WeakPolarHBondContact O-CD 3.44Å; P881-H885 HydrophobicContact CB-CB 4.13Å; P881-L886 HydrophobicContact CB-CD2 4.37Å; P881-L886 HydrophobicContact CG-CD2 4.34Å
882	S	85.4	Confident	85.3	Confident	40 Å²	40	47 Å²	47	28%	0.28	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-64.6	155.7	176	89.9	0	0	0	0	111.6	V884 H885 L886 E921	S882-V884 PolarHBondContact O-N 3.37Å; S882-V884 PolarHBondContact OG-N 3.34Å; S882-H885 WeakPolarHBondContact O-CB 3.37Å; S882-H885 PolarHBondContact O-N 3.18Å; S882-H885 PolarHBondContact OG-N 3.12Å; S882-L886 WeakPolarHBondContact O-CG 3.5Å; S882-L886 PolarHBondContact O-N 3.12Å; S882-E921 WeakPolarHBondContact CB-OE1 3.46Å; S882-E921 WeakPolarHBondContact CB-OE2 3.38Å; S882-E921 PolarHBondContact N-OE2 2.75Å; S882-E921 PolarHBondContact OG-OE1 3.43Å; S882-E921 PolarHBondContact OG-OE2 3.21Å
883	L	88.4	Confident	84.6	Confident	94 Å²	94	47.9 Å²	47.9	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-58.2	-28.9	173.5	-178.4	63.1	0	0	0	112.3	W230 F231 L886 C887	W230-L883 HydrophobicContact CH2-CD1 4.24Å; W230-L883 HydrophobicContact CZ3-CD1 4.18Å; F231-L883 HydrophobicContact CE1-CD1 3.72Å; F231-L883 HydrophobicContact CE1-CD2 3.96Å; F231-L883 HydrophobicContact CE1-CG 4.34Å; F231-L883 HydrophobicContact CZ-CD1 3.96Å; F231-L883 HydrophobicContact CZ-CD2 4.23Å; F231-L883 HydrophobicContact CZ-CG 4.39Å; L883-L886 PolarHBondContact O-N 3.18Å; L883-C887 WeakPolarHBondContact O-CB 3.36Å; L883-C887 PolarHBondContact O-N 2.88Å; L883-C887 PolarHBondContact O-SG 3.47Å
884	V	87.3	Confident	83.9	Confident	93 Å²	93	48.7 Å²	48.7	56%	0.564	26%	0.264	S	S	*	.	H	α-helix	trans	-68.1	-41	176.3	-176.7	0	0	0	0	110.4	S882 R888 Y912	S882-V884 PolarHBondContact O-N 3.37Å; S882-V884 PolarHBondContact OG-N 3.34Å; V884-R888 PolarHBondContact O-N 3.38Å; V884-Y912 HydrophobicContact CG1-CD1 4.44Å; V884-Y912 HydrophobicContact CG1-CE1 3.92Å
885	H	83.1	Confident	83.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-40.3	175	-158.7	68.7	0	0	0	112	P881 S882 R888 F889 Y912 Y918 E921	P881-H885 HydrophobicContact CB-CB 4.13Å; S882-H885 WeakPolarHBondContact O-CB 3.37Å; S882-H885 PolarHBondContact O-N 3.18Å; S882-H885 PolarHBondContact OG-N 3.12Å; H885-R888 VanDerWaalsContact O-CB 3.29Å; H885-R888 WeakPolarHBondContact O-CB 3.34Å; H885-R888 PolarHBondContact O-N 3.26Å; H885-R888 VanDerWaalsContact O-N 3.15Å; H885-F889 AromaticContact CD2-CE2 3.53Å; H885-F889 AromaticContact NE2-CE2 3.84Å; H885-F889 AromaticContact NE2-CZ 3.92Å; H885-F889 WeakPolarHBondContact O-CD2 3.3Å; H885-F889 PolarHBondContact O-N 3.26Å; H885-Y912 PolarHBondContact ND1-OH 2.81Å; H885-Y918 PolarHBondContact CE1-O 2.97Å; H885-Y918 PolarHBondContact NE2-O 3.02Å; H885-Y918 VanDerWaalsContact NE2-O 3.11Å; H885-E921 HydrophobicContact CB-CB 4.3Å; H885-E921 HydrophobicContact CB-CG 4.18Å; H885-E921 PolarHBondContact NE2-N 2.93Å
886	L	83.5	Confident	82.5	Confident	54 Å²	54	49.4 Å²	49.4	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-45.6	174.2	-64.7	176.5	0	0	0	112	W230 P881 S882 L883 R888 F889 E890	W230-L886 HydrophobicContact CH2-CB 3.87Å; W230-L886 HydrophobicContact CZ2-CB 4.16Å; P881-L886 HydrophobicContact CB-CD2 4.37Å; P881-L886 HydrophobicContact CG-CD2 4.34Å; S882-L886 WeakPolarHBondContact O-CG 3.5Å; S882-L886 PolarHBondContact O-N 3.12Å; L883-L886 PolarHBondContact O-N 3.18Å; L886-R888 PolarHBondContact O-N 3.32Å; L886-F889 PolarHBondContact O-N 3.44Å; L886-E890 PolarHBondContact O-N 2.78Å
887	C	85.7	Confident	82.1	Confident	29 Å²	29	51.2 Å²	51.2	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-30.9	173.5	-72.2	0	0	0	0	112.9	L883 E890 L891	L883-C887 WeakPolarHBondContact O-CB 3.36Å; L883-C887 PolarHBondContact O-N 2.88Å; L883-C887 PolarHBondContact O-SG 3.47Å; C887-E890 PolarHBondContact O-N 3.14Å; C887-L891 WeakPolarHBondContact O-CB 3.41Å; C887-L891 VanDerWaalsContact O-CG 3.26Å; C887-L891 WeakPolarHBondContact O-CG 3.2Å; C887-L891 PolarHBondContact O-N 2.88Å
888	R	84.6	Confident	81.9	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.011	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-46.5	176.8	-176.7	-125.1	-172.8	73.4	8.7	112	V884 H885 L886 L891 L892 Y912 L913 E915	V884-R888 PolarHBondContact O-N 3.38Å; H885-R888 VanDerWaalsContact O-CB 3.29Å; H885-R888 WeakPolarHBondContact O-CB 3.34Å; H885-R888 PolarHBondContact O-N 3.26Å; H885-R888 VanDerWaalsContact O-N 3.15Å; L886-R888 PolarHBondContact O-N 3.32Å; R888-L891 PolarHBondContact O-N 3.1Å; R888-L892 HydrophobicContact CG-CD1 4Å; R888-L892 WeakPolarHBondContact O-CG 3.32Å; R888-L892 PolarHBondContact O-N 2.82Å; R888-Y912 HydrophobicContact CB-CD1 4.49Å; R888-Y912 HydrophobicContact CB-CE1 3.85Å; R888-Y912 HydrophobicContact CG-CD1 4.28Å; R888-Y912 HydrophobicContact CG-CE1 3.94Å; R888-Y912 PolarHBondContact NH1-O 3.26Å; R888-Y912 PolarHBondContact NH2-O 2.77Å; R888-L913 HydrophobicContact CB-CD2 4.25Å; R888-L913 HydrophobicContact CG-CD2 3.77Å; R888-L913 PolarHBondContact NH2-O 3.27Å; R888-E915 PolarHBondContact NH2-O 3.15Å
889	F	78.2	Confident	81.8	Confident	44 Å²	44	48.8 Å²	48.8	19%	0.193	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-50.4	173.7	-66.7	-80.1	0	0	0	111.3	H885 L886 L891 L892 I893 Y918 Y919	H885-F889 AromaticContact CD2-CE2 3.53Å; H885-F889 AromaticContact NE2-CE2 3.84Å; H885-F889 AromaticContact NE2-CZ 3.92Å; H885-F889 WeakPolarHBondContact O-CD2 3.3Å; H885-F889 PolarHBondContact O-N 3.26Å; L886-F889 PolarHBondContact O-N 3.44Å; F889-L891 VanDerWaalsContact C-N 3.28Å; F889-L891 PolarHBondContact O-N 3.16Å; F889-L892 PolarHBondContact O-N 3.19Å; F889-I893 VanDerWaalsContact O-CG1 3.31Å; F889-I893 WeakPolarHBondContact O-CG1 3.25Å; F889-I893 PolarHBondContact O-N 3.09Å; F889-Y918 AromaticContact CD1-CD2 3.75Å; F889-Y918 HydrophobicContact CD1-CD2 3.75Å; F889-Y918 AromaticContact CD1-CE2 3.99Å; F889-Y918 HydrophobicContact CD1-CE2 3.99Å; F889-Y918 AromaticContact CE1-CD2 3.46Å; F889-Y918 HydrophobicContact CE1-CD2 3.46Å; F889-Y918 VanDerWaalsContact CE1-CD2 3.46Å; F889-Y918 AromaticContact CE1-CE2 3.79Å; F889-Y918 HydrophobicContact CE1-CE2 3.79Å; F889-Y918 VanDerWaalsContact CE1-O 3.28Å; F889-Y918 WeakPolarHBondContact CE1-O 3.29Å; F889-Y918 HydrophobicContact CZ-CD2 4.45Å; F889-Y918 WeakPolarHBondContact CZ-O 3.31Å; F889-Y919 AromaticContact CE1-CD1 3.84Å; F889-Y919 HydrophobicContact CE1-CD1 3.84Å; F889-Y919 HydrophobicContact CE1-CE1 4.16Å; F889-Y919 HydrophobicContact CZ-CD1 4.2Å
890	E	81.2	Confident	82	Confident	37 Å²	37	46.8 Å²	46.8	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-36.1	-175.4	-162.3	64.5	-153.2	0	0	111.9	L227 W230 L886 C887 H894	L227-E890 HydrophobicContact CD2-CB 4.34Å; L227-E890 HydrophobicContact CD2-CG 3.86Å; W230-E890 VanDerWaalsContact CD1-OE2 3.25Å; W230-E890 HydrophobicContact CD2-CG 4.49Å; W230-E890 HydrophobicContact CG-CG 4.25Å; W230-E890 PolarHBondContact NE1-OE2 3.2Å; L886-E890 PolarHBondContact O-N 2.78Å; C887-E890 PolarHBondContact O-N 3.14Å; E890-H894 PolarHBondContact O-ND1 3.17Å; E890-H894 IonicContact OE1-CE1 3.4Å; E890-H894 PolarHBondContact OE1-CE1 3.2Å
891	L	84.4	Confident	82.2	Confident	31 Å²	31	45 Å²	45	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-47.6	172.7	-75.5	169.8	0	0	0	112.5	L227 C887 R888 F889 I893 H894 V895 L913	L227-L891 HydrophobicContact CD1-CD2 4.45Å; C887-L891 WeakPolarHBondContact O-CB 3.41Å; C887-L891 VanDerWaalsContact O-CG 3.26Å; C887-L891 WeakPolarHBondContact O-CG 3.2Å; C887-L891 PolarHBondContact O-N 2.88Å; R888-L891 PolarHBondContact O-N 3.1Å; F889-L891 VanDerWaalsContact C-N 3.28Å; F889-L891 PolarHBondContact O-N 3.16Å; L891-I893 VanDerWaalsContact C-N 3.31Å; L891-I893 PolarHBondContact O-N 2.99Å; L891-H894 PolarHBondContact O-N 3.48Å; L891-H894 VanDerWaalsContact O-N 3.08Å; L891-V895 WeakPolarHBondContact O-CB 3.2Å; L891-V895 PolarHBondContact O-N 2.99Å; L891-L913 HydrophobicContact CB-CD2 4.29Å; L891-L913 HydrophobicContact CD1-CD1 4.46Å; L891-L913 HydrophobicContact CD1-CD2 4.12Å
892	L	80.3	Confident	82.5	Confident	18 Å²	18	49 Å²	49	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-28.2	-178.5	-68.3	171.4	0	0	0	112.9	R888 F889 H894 I900	R888-L892 HydrophobicContact CG-CD1 4Å; R888-L892 WeakPolarHBondContact O-CG 3.32Å; R888-L892 PolarHBondContact O-N 2.82Å; F889-L892 PolarHBondContact O-N 3.19Å; L892-H894 VanDerWaalsContact C-N 3.26Å; L892-H894 PolarHBondContact O-N 3.39Å; L892-I900 HydrophobicContact CD2-CD1 3.75Å; L892-I900 HydrophobicContact CD2-CG1 4.46Å
893	I	76.5	Confident	82.6	Confident	97 Å²	97	47.9 Å²	47.9	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-39.3	169.9	-72.6	165.1	0	0	0	111	K208 F889 L891	K208-I893 WeakPolarHBondContact CE-O 3.38Å; K208-I893 PolarHBondContact NZ-O 2.77Å; F889-I893 VanDerWaalsContact O-CG1 3.31Å; F889-I893 WeakPolarHBondContact O-CG1 3.25Å; F889-I893 PolarHBondContact O-N 3.09Å; L891-I893 VanDerWaalsContact C-N 3.31Å; L891-I893 PolarHBondContact O-N 2.99Å
894	H	77.1	Confident	82.7	Confident	48 Å²	48	48.1 Å²	48.1	22%	0.222	25%	0.254	C	S	.	.	H	α-helix	trans	-94.9	-30.9	-175	-68.4	90.9	0	0	0	114.4	E890 L891 L892	E890-H894 PolarHBondContact O-ND1 3.17Å; E890-H894 IonicContact OE1-CE1 3.4Å; E890-H894 PolarHBondContact OE1-CE1 3.2Å; L891-H894 PolarHBondContact O-N 3.48Å; L891-H894 VanDerWaalsContact O-N 3.08Å; L892-H894 VanDerWaalsContact C-N 3.26Å; L892-H894 PolarHBondContact O-N 3.39Å
895	V	77.7	Confident	82.8	Confident	10 Å²	10	46.4 Å²	46.4	6%	0.061	24%	0.241	C	C	.	.	S	Bend	trans	-108.7	124.1	-173.2	-177.1	0	0	0	0	110.5	I223 L891 H899 I900 L903	I223-V895 HydrophobicContact CD1-CG2 4.28Å; L891-V895 WeakPolarHBondContact O-CB 3.2Å; L891-V895 PolarHBondContact O-N 2.99Å; V895-H899 HydrophobicContact CG1-CB 4.1Å; V895-I900 HydrophobicContact CG1-CG1 4.48Å; V895-L903 HydrophobicContact CG1-CD1 4.26Å; V895-L903 HydrophobicContact CG1-CD2 4.05Å; V895-L903 HydrophobicContact CG1-CG 4.42Å; V895-L903 HydrophobicContact CG2-CD2 4.07Å
896	R	76.2	Confident	83.3	Confident	43 Å²	43	49.8 Å²	49.8	16%	0.162	26%	0.264	C	S	.	.			trans	-63.4	146.1	172.1	-73.5	173.5	53.4	159.4	-7.7	111.4	Y553 A554 D898 H899 I900	Y553-R896 PolarHBondContact O-NH1 3.31Å; A554-R896 VanDerWaalsContact CB-NH2 3.28Å; R896-D898 VanDerWaalsContact C-N 3.29Å; R896-D898 IonicContact CZ-OD2 2.62Å; R896-D898 IonicContact NE-OD2 3.67Å; R896-D898 PolarHBondContact NE-OD2 2.6Å; R896-D898 VanDerWaalsContact NE-OD2 3.16Å; R896-D898 IonicContact NH2-OD2 2.68Å; R896-D898 PolarHBondContact NH2-OD2 3.41Å; R896-D898 PolarHBondContact O-N 2.75Å; R896-H899 WeakPolarHBondContact O-CA 3.44Å; R896-H899 PolarHBondContact O-N 2.69Å; R896-I900 PolarHBondContact O-N 3.33Å
897	H	78.9	Confident	83.5	Confident	52 Å²	52	51.8 Å²	51.8	24%	0.241	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-55.2	-42.5	-178.9	-168.2	-92.5	0	0	0	112.8	L547 H899 I900	L547-H897 HydrophobicContact CD2-CB 4.33Å; H897-H899 PolarHBondContact O-N 2.69Å; H897-H899 VanDerWaalsContact O-N 3.13Å; H897-I900 HydrophobicContact CB-CD1 4.43Å; H897-I900 WeakPolarHBondContact O-CB 3.24Å; H897-I900 WeakPolarHBondContact O-CG1 3.4Å; H897-I900 PolarHBondContact O-N 3.17Å; H897-I900 VanDerWaalsContact O-N 3.13Å
898	D	80.7	Confident	83.6	Confident	75 Å²	75	55.7 Å²	55.7	40%	0.401	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-56.1	-27.8	175	-31.4	-50.7	0	0	0	113.7	R896	R896-D898 VanDerWaalsContact C-N 3.29Å; R896-D898 IonicContact CZ-OD2 2.62Å; R896-D898 IonicContact NE-OD2 3.67Å; R896-D898 PolarHBondContact NE-OD2 2.6Å; R896-D898 VanDerWaalsContact NE-OD2 3.16Å; R896-D898 IonicContact NH2-OD2 2.68Å; R896-D898 PolarHBondContact NH2-OD2 3.41Å; R896-D898 PolarHBondContact O-N 2.75Å
899	H	83.4	Confident	83.8	Confident	45 Å²	45	58.6 Å²	58.6	21%	0.208	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-98.5	2.4	-175.8	-64.8	163.7	0	0	0	113.3	V895 R896 H897 D901 L902	V895-H899 HydrophobicContact CG1-CB 4.1Å; R896-H899 WeakPolarHBondContact O-CA 3.44Å; R896-H899 PolarHBondContact O-N 2.69Å; H897-H899 PolarHBondContact O-N 2.69Å; H897-H899 VanDerWaalsContact O-N 3.13Å; H899-D901 VanDerWaalsContact C-N 3.33Å; H899-D901 PolarHBondContact O-N 3.45Å; H899-L902 HydrophobicContact CB-CD1 4.32Å; H899-L902 WeakPolarHBondContact O-CB 3.46Å; H899-L902 PolarHBondContact O-N 3.43Å; H899-L902 VanDerWaalsContact O-N 3.14Å
900	I	85.3	Confident	84.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-60.9	-42.9	177.3	-66.3	170.6	0	0	0	110.5	L892 V895 R896 H897 L902 L903 L910 L913 K914	L892-I900 HydrophobicContact CD2-CD1 3.75Å; L892-I900 HydrophobicContact CD2-CG1 4.46Å; V895-I900 HydrophobicContact CG1-CG1 4.48Å; R896-I900 PolarHBondContact O-N 3.33Å; H897-I900 HydrophobicContact CB-CD1 4.43Å; H897-I900 WeakPolarHBondContact O-CB 3.24Å; H897-I900 WeakPolarHBondContact O-CG1 3.4Å; H897-I900 PolarHBondContact O-N 3.17Å; H897-I900 VanDerWaalsContact O-N 3.13Å; I900-L902 PolarHBondContact O-N 3.37Å; I900-L902 VanDerWaalsContact O-N 3.11Å; I900-L903 HydrophobicContact CG2-CD1 4.4Å; I900-L903 WeakPolarHBondContact O-CB 3.24Å; I900-L903 VanDerWaalsContact O-CG 3.26Å; I900-L903 WeakPolarHBondContact O-CG 3.33Å; I900-L903 PolarHBondContact O-N 3.44Å; I900-L903 VanDerWaalsContact O-N 3.07Å; I900-L910 HydrophobicContact CG2-CD2 4.1Å; I900-L910 VanDerWaalsContact O-CD2 3.25Å; I900-L910 WeakPolarHBondContact O-CD2 3.34Å; I900-L913 HydrophobicContact CD1-CB 4.35Å; I900-L913 HydrophobicContact CG2-CB 3.91Å; I900-L913 HydrophobicContact CG2-CD1 4.17Å; I900-K914 HydrophobicContact CD1-CG 4.08Å; I900-K914 HydrophobicContact CG2-CG 4.11Å
901	D	86.5	Confident	84.6	Confident	94 Å²	94	64.7 Å²	64.7	50%	0.503	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66.4	-13	178.9	-62.2	-50.5	0	0	0	114	H899 L903 K914	H899-D901 VanDerWaalsContact C-N 3.33Å; H899-D901 PolarHBondContact O-N 3.45Å; D901-L903 VanDerWaalsContact C-N 3.35Å; D901-K914 WeakPolarHBondContact OD1-CE 3.24Å; D901-K914 IonicContact OD1-NZ 3.86Å; D901-K914 PolarHBondContact OD1-NZ 3.28Å; D901-K914 WeakPolarHBondContact OD2-CE 3.43Å; D901-K914 IonicContact OD2-NZ 3.12Å; D901-K914 PolarHBondContact OD2-NZ 3.33Å
902	L	88	Confident	84.7	Confident	119 Å²	119	65.2 Å²	65.2	62%	0.623	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-89.1	-1.4	176.7	-55.4	178	0	0	0	112.8	H899 I900	H899-L902 HydrophobicContact CB-CD1 4.32Å; H899-L902 WeakPolarHBondContact O-CB 3.46Å; H899-L902 PolarHBondContact O-N 3.43Å; H899-L902 VanDerWaalsContact O-N 3.14Å; I900-L902 PolarHBondContact O-N 3.37Å; I900-L902 VanDerWaalsContact O-N 3.11Å
903	L	88	Confident	84.9	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.089	34%	0.335	C	S	.	.	S	Bend	trans	-81	134.4	176.2	-53.2	172.1	0	0	0	109.9	W220 V895 I900 D901 L905 L910 L913	W220-L903 HydrophobicContact CH2-CB 4.42Å; W220-L903 HydrophobicContact CH2-CD2 3.62Å; W220-L903 HydrophobicContact CZ2-CD2 4.07Å; V895-L903 HydrophobicContact CG1-CD1 4.26Å; V895-L903 HydrophobicContact CG1-CD2 4.05Å; V895-L903 HydrophobicContact CG1-CG 4.42Å; V895-L903 HydrophobicContact CG2-CD2 4.07Å; I900-L903 HydrophobicContact CG2-CD1 4.4Å; I900-L903 WeakPolarHBondContact O-CB 3.24Å; I900-L903 VanDerWaalsContact O-CG 3.26Å; I900-L903 WeakPolarHBondContact O-CG 3.33Å; I900-L903 PolarHBondContact O-N 3.44Å; I900-L903 VanDerWaalsContact O-N 3.07Å; D901-L903 VanDerWaalsContact C-N 3.35Å; L903-L905 HydrophobicContact CB-CD1 3.94Å; L903-L905 HydrophobicContact CB-CG 4Å; L903-L905 HydrophobicContact CD1-CD1 3.93Å; L903-L905 PolarHBondContact O-N 3.37Å; L903-L910 HydrophobicContact CB-CD2 4.01Å; L903-L913 HydrophobicContact CD1-CD1 3.82Å
904	P	90.4	Very high	85.3	Confident	99 Å²	99	63.8 Å²	63.8	64%	0.643	33%	0.328	S	S	*	.			trans	-77.7	54.5	177	35.8	-36.8	0	0	0	110.8	W220	W220-P904 VanDerWaalsContact CH2-CD 3.46Å; W220-P904 HydrophobicContact CH2-CG 4.14Å; W220-P904 HydrophobicContact CZ2-CG 3.77Å
905	L	90.1	Very high	85.4	Confident	56 Å²	56	65.5 Å²	65.5	29%	0.293	34%	0.336	S	S	.	.	S	Bend	trans	-111.1	148.1	179.3	-61.2	173.7	0	0	0	109.6	L903 I909 L910 L913	L903-L905 HydrophobicContact CB-CD1 3.94Å; L903-L905 HydrophobicContact CB-CG 4Å; L903-L905 HydrophobicContact CD1-CD1 3.93Å; L903-L905 PolarHBondContact O-N 3.37Å; L905-I909 HydrophobicContact CB-CB 4.33Å; L905-I909 HydrophobicContact CB-CG2 4.35Å; L905-I909 HydrophobicContact CD1-CG2 4.04Å; L905-L910 HydrophobicContact CB-CD2 3.82Å; L905-L910 HydrophobicContact CB-CG 4.3Å; L905-L910 HydrophobicContact CD1-CD2 4.39Å; L905-L913 HydrophobicContact CD1-CD1 3.84Å
906	P	91.9	Very high	84.7	Confident	73 Å²	73	69 Å²	69	47%	0.474	36%	0.361	S	S	.	.			trans	-50.5	142	170.4	-30.2	36.9	0	0	0	112.7	N908 I909 L910	P906-N908 WeakPolarHBondContact CB-OD1 3.44Å; P906-N908 PolarHBondContact O-N 3.48Å; P906-N908 VanDerWaalsContact O-N 3.08Å; P906-I909 HydrophobicContact CB-CG1 4.46Å; P906-I909 HydrophobicContact CG-CD1 4.42Å; P906-I909 WeakPolarHBondContact O-CA 3.34Å; P906-I909 WeakPolarHBondContact O-CB 3.21Å; P906-I909 PolarHBondContact O-N 2.81Å; P906-L910 PolarHBondContact O-N 2.89Å
907	S	88.4	Confident	83.8	Confident	97 Å²	97	71.4 Å²	71.4	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-60.3	-24.2	-173.5	55.6	0	0	0	0	114.3	R911	S907-R911 WeakPolarHBondContact O-CB 3.05Å; S907-R911 PolarHBondContact O-N 3.03Å
908	N	88.9	Confident	82.9	Confident	110 Å²	110	69.4 Å²	69.4	59%	0.588	37%	0.365	S	S	*	.	H	α-helix	trans	-70.4	-30.8	171.2	65.6	-69.1	0	0	0	112.9	P906 Y912	P906-N908 WeakPolarHBondContact CB-OD1 3.44Å; P906-N908 PolarHBondContact O-N 3.48Å; P906-N908 VanDerWaalsContact O-N 3.08Å; N908-Y912 WeakPolarHBondContact O-CB 3.42Å; N908-Y912 PolarHBondContact O-N 3.28Å
909	I	88.4	Confident	82.3	Confident	65 Å²	65	66.4 Å²	66.4	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-78	-37.8	173.3	-56.2	-174.8	0	0	0	110	L905 P906 Y912 L913	L905-I909 HydrophobicContact CB-CB 4.33Å; L905-I909 HydrophobicContact CB-CG2 4.35Å; L905-I909 HydrophobicContact CD1-CG2 4.04Å; P906-I909 HydrophobicContact CB-CG1 4.46Å; P906-I909 HydrophobicContact CG-CD1 4.42Å; P906-I909 WeakPolarHBondContact O-CA 3.34Å; P906-I909 WeakPolarHBondContact O-CB 3.21Å; P906-I909 PolarHBondContact O-N 2.81Å; I909-Y912 WeakPolarHBondContact O-CB 3.34Å; I909-Y912 PolarHBondContact O-N 3.38Å; I909-L913 HydrophobicContact CG2-CD1 4.39Å; I909-L913 HydrophobicContact CG2-CG 4.48Å; I909-L913 WeakPolarHBondContact O-CG 3.35Å; I909-L913 PolarHBondContact O-N 2.67Å
910	L	88.7	Confident	81.7	Confident	24 Å²	24	65.3 Å²	65.3	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-43.6	171.8	-60.5	-177.3	0	0	0	111.9	I900 L903 L905 P906 L913 K914	I900-L910 HydrophobicContact CG2-CD2 4.1Å; I900-L910 VanDerWaalsContact O-CD2 3.25Å; I900-L910 WeakPolarHBondContact O-CD2 3.34Å; L903-L910 HydrophobicContact CB-CD2 4.01Å; L905-L910 HydrophobicContact CB-CD2 3.82Å; L905-L910 HydrophobicContact CB-CG 4.3Å; L905-L910 HydrophobicContact CD1-CD2 4.39Å; P906-L910 PolarHBondContact O-N 2.89Å; L910-L913 PolarHBondContact O-N 3.23Å; L910-K914 WeakPolarHBondContact O-CG 3.16Å; L910-K914 PolarHBondContact O-N 3Å
911	R	87.1	Confident	81	Confident	184 Å²	184	67.6 Å²	67.6	69%	0.694	36%	0.357	S	S	*	.	H	α-helix	trans	-59.8	-48.3	171.9	178.7	176.3	174.6	156.4	3.8	111.2	S907 L913 K914 E915	S907-R911 WeakPolarHBondContact O-CB 3.05Å; S907-R911 PolarHBondContact O-N 3.03Å; R911-L913 PolarHBondContact O-N 3.09Å; R911-K914 PolarHBondContact O-N 3.25Å; R911-K914 VanDerWaalsContact O-N 3.12Å; R911-E915 PolarHBondContact O-N 2.99Å
912	Y	86.8	Confident	80.4	Confident	43 Å²	43	69 Å²	69	17%	0.169	36%	0.359	C	S	.	.	H	α-helix	trans	-53.6	-54.9	176.8	-177.9	-113.4	0	0	0	110.8	V884 H885 R888 N908 I909 K914 E915	V884-Y912 HydrophobicContact CG1-CD1 4.44Å; V884-Y912 HydrophobicContact CG1-CE1 3.92Å; H885-Y912 PolarHBondContact ND1-OH 2.81Å; R888-Y912 HydrophobicContact CB-CD1 4.49Å; R888-Y912 HydrophobicContact CB-CE1 3.85Å; R888-Y912 HydrophobicContact CG-CD1 4.28Å; R888-Y912 HydrophobicContact CG-CE1 3.94Å; R888-Y912 PolarHBondContact NH1-O 3.26Å; R888-Y912 PolarHBondContact NH2-O 2.77Å; N908-Y912 WeakPolarHBondContact O-CB 3.42Å; N908-Y912 PolarHBondContact O-N 3.28Å; I909-Y912 WeakPolarHBondContact O-CB 3.34Å; I909-Y912 PolarHBondContact O-N 3.38Å; Y912-K914 PolarHBondContact O-N 3.44Å; Y912-E915 WeakPolarHBondContact CD2-OE2 3.03Å; Y912-E915 WeakPolarHBondContact O-CB 3.48Å; Y912-E915 PolarHBondContact O-N 3.07Å
913	L	85.1	Confident	80	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-26.1	179.5	-70.6	172.2	0	0	0	114.3	R888 L891 I900 L903 L905 I909 L910 R911	R888-L913 HydrophobicContact CB-CD2 4.25Å; R888-L913 HydrophobicContact CG-CD2 3.77Å; R888-L913 PolarHBondContact NH2-O 3.27Å; L891-L913 HydrophobicContact CB-CD2 4.29Å; L891-L913 HydrophobicContact CD1-CD1 4.46Å; L891-L913 HydrophobicContact CD1-CD2 4.12Å; I900-L913 HydrophobicContact CD1-CB 4.35Å; I900-L913 HydrophobicContact CG2-CB 3.91Å; I900-L913 HydrophobicContact CG2-CD1 4.17Å; L903-L913 HydrophobicContact CD1-CD1 3.82Å; L905-L913 HydrophobicContact CD1-CD1 3.84Å; I909-L913 HydrophobicContact CG2-CD1 4.39Å; I909-L913 HydrophobicContact CG2-CG 4.48Å; I909-L913 WeakPolarHBondContact O-CG 3.35Å; I909-L913 PolarHBondContact O-N 2.67Å; L910-L913 PolarHBondContact O-N 3.23Å; R911-L913 PolarHBondContact O-N 3.09Å
914	K	83.8	Confident	79.6	Confident	79 Å²	79	68.2 Å²	68.2	34%	0.343	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8	178.6	-77.1	179.8	161.5	-177.9	0	115.3	I900 D901 L910 R911 Y912	I900-K914 HydrophobicContact CD1-CG 4.08Å; I900-K914 HydrophobicContact CG2-CG 4.11Å; D901-K914 WeakPolarHBondContact OD1-CE 3.24Å; D901-K914 IonicContact OD1-NZ 3.86Å; D901-K914 PolarHBondContact OD1-NZ 3.28Å; D901-K914 WeakPolarHBondContact OD2-CE 3.43Å; D901-K914 IonicContact OD2-NZ 3.12Å; D901-K914 PolarHBondContact OD2-NZ 3.33Å; L910-K914 WeakPolarHBondContact O-CG 3.16Å; L910-K914 PolarHBondContact O-N 3Å; R911-K914 PolarHBondContact O-N 3.25Å; R911-K914 VanDerWaalsContact O-N 3.12Å; Y912-K914 PolarHBondContact O-N 3.44Å
915	E	78.8	Confident	79.1	Confident	84 Å²	84	65.1 Å²	65.1	39%	0.393	34%	0.343	S	S	.	.			trans	-64.5	136.7	177.2	-72	153.4	-176.7	0	0	111	R888 R911 Y912	R888-E915 PolarHBondContact NH2-O 3.15Å; R911-E915 PolarHBondContact O-N 2.99Å; Y912-E915 WeakPolarHBondContact CD2-OE2 3.03Å; Y912-E915 WeakPolarHBondContact O-CB 3.48Å; Y912-E915 PolarHBondContact O-N 3.07Å
916	S	63	Low	78.8	Confident	85 Å²	85	62.9 Å²	62.9	59%	0.594	33%	0.331	S	S	*	.	S	Bend	trans	-73.1	-30.3	-175.4	49.1	0	0	0	0	113.4	P719	P719-S916 WeakPolarHBondContact CG-O 3.28Å
917	Q	58.2	Low	78.4	Confident	92 Å²	92	61.7 Å²	61.7	43%	0.43	32%	0.32	S	S	.	.			trans	-87.7	109.2	179.3	-63.3	177.6	-62.8	0	0	109.5	E724	E724-Q917 VanDerWaalsContact CD-NE2 3.31Å; E724-Q917 PolarHBondContact OE1-NE2 2.77Å; E724-Q917 PolarHBondContact OE2-NE2 2.88Å
918	Y	60.6	Low	78.2	Confident	11 Å²	11	63.3 Å²	63.3	4%	0.043	32%	0.317	C	S	.	.			trans	-132.1	-2.3	-167.9	78.6	-71.8	0	0	0	115.7	H546 K711 H885 F889	H546-Y918 AromaticContact CD2-CD1 3.6Å; H546-Y918 AromaticContact CD2-CE1 3.05Å; H546-Y918 WeakPolarHBondContact CD2-CE1 3.47Å; H546-Y918 AromaticContact CD2-CZ 3.58Å; H546-Y918 AromaticContact CE1-CE1 3.86Å; H546-Y918 AromaticContact CE1-CZ 3.54Å; H546-Y918 PolarHBondContact CE1-OH 2.99Å; H546-Y918 AromaticContact CG-CE1 3.77Å; H546-Y918 AromaticContact CG-CZ 3.99Å; H546-Y918 AromaticContact ND1-CZ 3.96Å; H546-Y918 PolarHBondContact ND1-OH 2.83Å; H546-Y918 AromaticContact NE2-CD1 3.49Å; H546-Y918 WeakPolarHBondContact NE2-CD1 3.46Å; H546-Y918 AromaticContact NE2-CE1 3.11Å; H546-Y918 WeakPolarHBondContact NE2-CE1 3.27Å; H546-Y918 AromaticContact NE2-CE2 3.85Å; H546-Y918 AromaticContact NE2-CZ 3.25Å; K711-Y918 PolarHBondContact NZ-OH 3.09Å; K711-Y918 VanDerWaalsContact NZ-OH 3.07Å; H885-Y918 PolarHBondContact CE1-O 2.97Å; H885-Y918 PolarHBondContact NE2-O 3.02Å; H885-Y918 VanDerWaalsContact NE2-O 3.11Å; F889-Y918 AromaticContact CD1-CD2 3.75Å; F889-Y918 HydrophobicContact CD1-CD2 3.75Å; F889-Y918 AromaticContact CD1-CE2 3.99Å; F889-Y918 HydrophobicContact CD1-CE2 3.99Å; F889-Y918 AromaticContact CE1-CD2 3.46Å; F889-Y918 HydrophobicContact CE1-CD2 3.46Å; F889-Y918 VanDerWaalsContact CE1-CD2 3.46Å; F889-Y918 AromaticContact CE1-CE2 3.79Å; F889-Y918 HydrophobicContact CE1-CE2 3.79Å; F889-Y918 VanDerWaalsContact CE1-O 3.28Å; F889-Y918 WeakPolarHBondContact CE1-O 3.29Å; F889-Y918 HydrophobicContact CZ-CD2 4.45Å; F889-Y918 WeakPolarHBondContact CZ-O 3.31Å
919	Y	68	Low	77.9	Confident	11 Å²	11	60.5 Å²	60.5	4%	0.043	30%	0.301	C	S	.	.	S	Bend	trans	-92.8	-22.2	-177.4	-80.9	-60	0	0	0	115.3	K711 Y716 W717 R876 F889	K711-Y919 WeakPolarHBondContact CA-OH 3.17Å; K711-Y919 VanDerWaalsContact CB-OH 3.3Å; K711-Y919 WeakPolarHBondContact CB-OH 3.45Å; K711-Y919 WeakPolarHBondContact CD-OH 3.48Å; K711-Y919 WeakPolarHBondContact CG-OH 3.15Å; Y716-Y919 HydrophobicContact CD1-CE2 4.43Å; Y716-Y919 AromaticContact CE1-CE2 3.9Å; Y716-Y919 HydrophobicContact CE1-CE2 3.9Å; Y716-Y919 AromaticContact CE1-CZ 3.96Å; W717-Y919 VanDerWaalsContact O-CD2 3.25Å; W717-Y919 WeakPolarHBondContact O-CD2 3.21Å; R876-Y919 VanDerWaalsContact NH1-CD1 3.32Å; F889-Y919 AromaticContact CE1-CD1 3.84Å; F889-Y919 HydrophobicContact CE1-CD1 3.84Å; F889-Y919 HydrophobicContact CE1-CE1 4.16Å; F889-Y919 HydrophobicContact CZ-CD1 4.2Å
920	A	70	Confident	77.6	Confident	22 Å²	22	58.3 Å²	58.3	18%	0.182	29%	0.29	C	S	.	.			trans	-139.7	121.4	178.2	0	0	0	0	0	109.1	W717 Y926	W717-A920 HydrophobicContact CE3-CB 4.23Å; W717-A920 HydrophobicContact CZ3-CB 3.96Å; A920-Y926 HydrophobicContact CB-CE2 3.99Å
921	E	69.9	Low	77.3	Confident	49 Å²	49	60 Å²	60	23%	0.229	30%	0.302	C	S	.	.	S	Bend	trans	-74.5	-34.1	-176.7	-161.6	-179.5	-167.7	0	0	112.8	S882 H885	S882-E921 WeakPolarHBondContact CB-OE1 3.46Å; S882-E921 WeakPolarHBondContact CB-OE2 3.38Å; S882-E921 PolarHBondContact N-OE2 2.75Å; S882-E921 PolarHBondContact OG-OE1 3.43Å; S882-E921 PolarHBondContact OG-OE2 3.21Å; H885-E921 HydrophobicContact CB-CB 4.3Å; H885-E921 HydrophobicContact CB-CG 4.18Å; H885-E921 PolarHBondContact NE2-N 2.93Å
922	F	73.8	Confident	76.7	Confident	125 Å²	125	55.7 Å²	55.7	55%	0.548	29%	0.292	S	S	.	.			trans	-145.3	89.8	-174.2	-56.8	-65.9	0	0	0	112	P924 A925 Y926	F922-P924 VanDerWaalsContact C-N 3.27Å; F922-A925 HydrophobicContact CB-CB 4.1Å; F922-A925 WeakPolarHBondContact O-CB 3.4Å; F922-A925 PolarHBondContact O-N 2.93Å; F922-Y926 WeakPolarHBondContact O-CD2 3.3Å
923	I	79.7	Confident	76	Confident	27 Å²	27	59 Å²	59	14%	0.138	31%	0.311	C	S	.	.	H	α-helix	trans	-49.8	-41.7	170.6	-62.4	176.2	0	0	0	112.5	L720 E724 L728 A925 Y926 L927	L720-I923 HydrophobicContact CD1-CD1 3.89Å; E724-I923 HydrophobicContact CB-CD1 3.81Å; E724-I923 HydrophobicContact CG-CD1 3.49Å; E724-I923 VanDerWaalsContact CG-CD1 3.49Å; L728-I923 HydrophobicContact CD2-CG2 4.21Å; L728-I923 HydrophobicContact CG-CG2 4.28Å; I923-A925 PolarHBondContact O-N 3.25Å; I923-A925 VanDerWaalsContact O-N 3.13Å; I923-Y926 WeakPolarHBondContact O-CB 3.26Å; I923-Y926 PolarHBondContact O-N 3.03Å; I923-L927 HydrophobicContact CG2-CD1 4.44Å; I923-L927 HydrophobicContact CG2-CG 4.39Å; I923-L927 PolarHBondContact O-N 3.45Å
924	P	80.4	Confident	75.1	Confident	92 Å²	92	61.2 Å²	61.2	60%	0.597	32%	0.323	S	S	*	.	H	α-helix	trans	-56.8	-29	177.3	-28.4	37.1	0	0	0	115.4	F922 L927 E928	F922-P924 VanDerWaalsContact C-N 3.27Å; P924-L927 PolarHBondContact O-N 3.22Å; P924-E928 PolarHBondContact O-N 3.23Å
925	A	79.7	Confident	73.9	Confident	34 Å²	34	60.1 Å²	60.1	28%	0.281	33%	0.325	S	S	.	.	H	α-helix	trans	-69.7	-37.3	177.1	0	0	0	0	0	111.6	I879 F922 I923 L927 E928 L929	I879-A925 HydrophobicContact CD1-CB 3.74Å; I879-A925 VanDerWaalsContact CD1-O 3.31Å; I879-A925 WeakPolarHBondContact CD1-O 3.45Å; F922-A925 HydrophobicContact CB-CB 4.1Å; F922-A925 WeakPolarHBondContact O-CB 3.4Å; F922-A925 PolarHBondContact O-N 2.93Å; I923-A925 PolarHBondContact O-N 3.25Å; I923-A925 VanDerWaalsContact O-N 3.13Å; A925-L927 VanDerWaalsContact C-N 3.34Å; A925-E928 PolarHBondContact O-N 3.21Å; A925-L929 PolarHBondContact O-N 3.26Å
926	Y	82.9	Confident	72.7	Confident	9 Å²	9	59.4 Å²	59.4	4%	0.035	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-38.6	172.8	-64.8	-87.6	0	0	0	111.1	W717 L728 R876 L878 I879 A920 F922 I923 E928 L929 L930	W717-Y926 AromaticContact CH2-CD1 3.84Å; W717-Y926 HydrophobicContact CH2-CD1 3.84Å; W717-Y926 HydrophobicContact CH2-CD2 4.36Å; W717-Y926 AromaticContact CH2-CE1 3.94Å; W717-Y926 HydrophobicContact CH2-CE1 3.94Å; W717-Y926 HydrophobicContact CH2-CE2 4.46Å; W717-Y926 HydrophobicContact CH2-CG 4.06Å; W717-Y926 HydrophobicContact CZ3-CD2 4.4Å; W717-Y926 HydrophobicContact CZ3-CE2 4.37Å; L728-Y926 HydrophobicContact CD2-CG 4.42Å; R876-Y926 PolarHBondContact O-OH 3.31Å; L878-Y926 HydrophobicContact CB-CD1 4.43Å; L878-Y926 HydrophobicContact CB-CE1 4.34Å; I879-Y926 HydrophobicContact CB-CD1 4.39Å; I879-Y926 HydrophobicContact CB-CE1 3.78Å; I879-Y926 HydrophobicContact CD1-CD1 3.81Å; I879-Y926 HydrophobicContact CD1-CD2 4.19Å; I879-Y926 HydrophobicContact CD1-CE1 4.06Å; I879-Y926 HydrophobicContact CD1-CE2 4.42Å; I879-Y926 HydrophobicContact CD1-CG 3.87Å; I879-Y926 HydrophobicContact CG1-CD1 3.92Å; I879-Y926 HydrophobicContact CG1-CE1 3.8Å; I879-Y926 HydrophobicContact CG1-CG 4.48Å; A920-Y926 HydrophobicContact CB-CE2 3.99Å; F922-Y926 WeakPolarHBondContact O-CD2 3.3Å; I923-Y926 WeakPolarHBondContact O-CB 3.26Å; I923-Y926 PolarHBondContact O-N 3.03Å; Y926-E928 PolarHBondContact O-N 3.04Å; Y926-L929 PolarHBondContact O-N 3.17Å; Y926-L930 WeakPolarHBondContact O-CB 3.47Å; Y926-L930 WeakPolarHBondContact O-CG 3.45Å; Y926-L930 PolarHBondContact O-N 2.93Å
927	L	84.4	Confident	72	Confident	47 Å²	47	60.3 Å²	60.3	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-40.6	175	-57.5	-179.9	0	0	0	112	L727 L728 I923 P924 A925 T931	L727-L927 HydrophobicContact CB-CD1 4.44Å; L727-L927 HydrophobicContact CB-CD2 4.29Å; L727-L927 WeakPolarHBondContact O-CD2 3.46Å; L728-L927 HydrophobicContact CD2-CD2 4.15Å; I923-L927 HydrophobicContact CG2-CD1 4.44Å; I923-L927 HydrophobicContact CG2-CG 4.39Å; I923-L927 PolarHBondContact O-N 3.45Å; P924-L927 PolarHBondContact O-N 3.22Å; A925-L927 VanDerWaalsContact C-N 3.34Å; L927-T931 WeakPolarHBondContact O-CB 3.23Å; L927-T931 WeakPolarHBondContact O-CG2 3.41Å; L927-T931 PolarHBondContact O-N 3.1Å; L927-T931 PolarHBondContact O-OG1 3.49Å
928	E	83.4	Confident	71.3	Confident	132 Å²	132	62.7 Å²	62.7	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-65.3	-41.6	173.6	-174.8	169.3	-168	0	0	112	P924 A925 Y926 T931 N932	P924-E928 PolarHBondContact O-N 3.23Å; A925-E928 PolarHBondContact O-N 3.21Å; Y926-E928 PolarHBondContact O-N 3.04Å; E928-T931 WeakPolarHBondContact CA-OG1 3.42Å; E928-T931 PolarHBondContact O-OG1 3.38Å; E928-N932 WeakPolarHBondContact O-CB 3.49Å; E928-N932 PolarHBondContact O-N 3.05Å; E928-N932 VanDerWaalsContact O-N 3.14Å; E928-N932 PolarHBondContact O-ND2 3.11Å
929	L	83.1	Confident	70.1	Confident	50 Å²	50	70.1 Å²	70.1	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-51.7	175.2	-173.2	153.6	0	0	0	111.4	L878 I879 A925 Y926 T931 N932 M933	L878-L929 HydrophobicContact CB-CD1 4.48Å; L878-L929 WeakPolarHBondContact O-CD1 3.29Å; I879-L929 HydrophobicContact CD1-CB 4.21Å; I879-L929 HydrophobicContact CD1-CD1 4.13Å; I879-L929 HydrophobicContact CG1-CD1 3.65Å; A925-L929 PolarHBondContact O-N 3.26Å; Y926-L929 PolarHBondContact O-N 3.17Å; L929-T931 PolarHBondContact O-N 3.03Å; L929-N932 PolarHBondContact O-N 2.87Å; L929-M933 HydrophobicContact CD2-CG 3.93Å; L929-M933 WeakPolarHBondContact O-CG 3.48Å; L929-M933 PolarHBondContact O-N 3.32Å
930	L	83.2	Confident	68.3	Low	19 Å²	19	78.6 Å²	78.6	10%	0.099	43%	0.428	C	S	.	.	H	α-helix	trans	-64.1	-39.6	-176.5	-68	167.7	0	0	0	112.2	L728 L874 L878 Y926 M933 N934	L728-L930 HydrophobicContact CD2-CD1 4.31Å; L874-L930 HydrophobicContact CD1-CD1 4.38Å; L874-L930 HydrophobicContact CD1-CD2 4.04Å; L878-L930 HydrophobicContact CD1-CD2 4.48Å; Y926-L930 WeakPolarHBondContact O-CB 3.47Å; Y926-L930 WeakPolarHBondContact O-CG 3.45Å; Y926-L930 PolarHBondContact O-N 2.93Å; L930-M933 PolarHBondContact O-N 3.42Å; L930-N934 PolarHBondContact O-N 3.49Å; L930-N934 VanDerWaalsContact O-N 3.14Å; L930-N934 PolarHBondContact O-ND2 3.3Å
931	T	81.6	Confident	68.2	Low	60 Å²	60	81.5 Å²	81.5	37%	0.368	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-35.9	174.9	48	0	0	0	0	113.1	N731 L927 E928 L929 S935	N731-T931 WeakPolarHBondContact ND2-CG2 3.46Å; L927-T931 WeakPolarHBondContact O-CB 3.23Å; L927-T931 WeakPolarHBondContact O-CG2 3.41Å; L927-T931 PolarHBondContact O-N 3.1Å; L927-T931 PolarHBondContact O-OG1 3.49Å; E928-T931 WeakPolarHBondContact CA-OG1 3.42Å; E928-T931 PolarHBondContact O-OG1 3.38Å; L929-T931 PolarHBondContact O-N 3.03Å; T931-S935 VanDerWaalsContact O-CB 3.27Å; T931-S935 WeakPolarHBondContact O-CB 3.5Å; T931-S935 PolarHBondContact O-N 3.42Å
932	N	75.7	Confident	68.2	Low	93 Å²	93	83.2 Å²	83.2	50%	0.497	45%	0.452	S	S	.	.	H	α-helix	trans	-68.6	-38.5	173.9	-77.4	-53.7	0	0	0	112.7	E928 L929 S935 S936	E928-N932 WeakPolarHBondContact O-CB 3.49Å; E928-N932 PolarHBondContact O-N 3.05Å; E928-N932 VanDerWaalsContact O-N 3.14Å; E928-N932 PolarHBondContact O-ND2 3.11Å; L929-N932 PolarHBondContact O-N 2.87Å; N932-S935 PolarHBondContact O-N 3.06Å; N932-S936 PolarHBondContact O-N 3.03Å; N932-S936 PolarHBondContact O-OG 3.08Å
933	M	70.8	Confident	67.8	Low	114 Å²	114	80.8 Å²	80.8	56%	0.562	45%	0.447	S	S	*	.	H	α-helix	trans	-58.9	-49	174.1	-68.2	-65.4	-71.4	0	0	111.2	L929 L930 S936	L929-M933 HydrophobicContact CD2-CG 3.93Å; L929-M933 WeakPolarHBondContact O-CG 3.48Å; L929-M933 PolarHBondContact O-N 3.32Å; L930-M933 PolarHBondContact O-N 3.42Å; M933-S936 VanDerWaalsContact O-CB 3.28Å; M933-S936 WeakPolarHBondContact O-CB 3.37Å; M933-S936 PolarHBondContact O-N 2.99Å
934	N	65.7	Low	67.1	Low	50 Å²	50	84 Å²	84	27%	0.267	47%	0.465	S	S	.	.	H	α-helix	trans	-67.7	-39.7	-179.7	-63.9	-28.4	0	0	0	113.2	N731 L930 S936 N937 D938	N731-N934 PolarHBondContact O-ND2 3.37Å; L930-N934 PolarHBondContact O-N 3.49Å; L930-N934 VanDerWaalsContact O-N 3.14Å; L930-N934 PolarHBondContact O-ND2 3.3Å; N934-S936 PolarHBondContact O-N 2.97Å; N934-N937 PolarHBondContact O-N 3.19Å; N934-D938 PolarHBondContact O-N 2.95Å
935	S	59.8	Low	66.3	Low	56 Å²	56	83.5 Å²	83.5	39%	0.392	46%	0.456	S	S	.	.	H	α-helix	trans	-62.4	-13	175	-171.1	0	0	0	0	113.9	T931 N932	T931-S935 VanDerWaalsContact O-CB 3.27Å; T931-S935 WeakPolarHBondContact O-CB 3.5Å; T931-S935 PolarHBondContact O-N 3.42Å; N932-S935 PolarHBondContact O-N 3.06Å
936	S	52.8	Low	65.4	Low	69 Å²	69	86.8 Å²	86.8	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-84.8	-33.5	170.3	-51.7	0	0	0	0	112.3	N932 M933 N934	N932-S936 PolarHBondContact O-N 3.03Å; N932-S936 PolarHBondContact O-OG 3.08Å; M933-S936 VanDerWaalsContact O-CB 3.28Å; M933-S936 WeakPolarHBondContact O-CB 3.37Å; M933-S936 PolarHBondContact O-N 2.99Å; N934-S936 PolarHBondContact O-N 2.97Å
937	N	48.9	Very low	64.2	Low	104 Å²	104	92.4 Å²	92.4	56%	0.556	50%	0.499	S	S	*	.	H	α-helix	trans	-77.2	-31.1	-179	-63.8	-15.8	0	0	0	112.6	N934 K939	N934-N937 PolarHBondContact O-N 3.19Å; N937-K939 PolarHBondContact O-N 3.24Å
938	D	42.9	Very low	62.6	Low	143 Å²	143	95.8 Å²	95.8	77%	0.765	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	13	174	-67.8	-31.9	0	0	0	113.9	N934	N934-D938 PolarHBondContact O-N 2.95Å
939	K	35.4	Very low	60.9	Low	167 Å²	167	92.8 Å²	92.8	73%	0.726	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.3	13.5	-173	-70.3	-177.8	-175.7	142.6	0	114.6	N937	N937-K939 PolarHBondContact O-N 3.24Å
940	V	31	Very low	58.9	Low	189 Å²	189	96.7 Å²	96.7	100%	1.145	53%	0.533	S	S	*	.			trans	-122.8	0	174.4	179.4	0	0	0	0	108.4

Retrieved 940 of 940 residues in 944 ms (Link to these results)

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