A0A087XMV0_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087XMV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 804 aa.

						>A0A087XMV0_POEFO|A0A087XMV0
MSGLLAENAGTGQGSPVKRNKLSLKFFQKKDTKRALDFSEPQAEDAKTLEQEDSPASCDQVVYGPAPCPSSPGLPIPCEKRENLVPFVGLNNLGNTCYLNSILQVLYYCPGFREGVKKLYDLSKRPEKPKDETAKNEEPQSQQSECVSETVPAHIELLGSFSSLMTSVEQLQSSFLLNSDGFSEGELATPPRKILHTIRQLNPMYEGYLQHDAQEVLQCILGYIQEACDTIRKEQELERKEEEEEDDRDVKTENGVPSDSNFSGAESRASVDEDGQVSGKRKSDTEVGNAKKKPKSKKSESAEENVCRNKPFTRSKRKSSSDITVDSAQSKEGEQEEEKKNLNPDEEKDEKASGKETSGKRKKRGTLGWLRSSGKQPSIFSKFCSVGKISSTNPKTLNKSEPENGPSEEPKQKSTQQSAARKSAKGQTEKRHDVLGLMEKLFQGRLVLRTRCLECESFTERREDFQDISVPVLDDQPTSPEDLSDVSPDPKPEMKTLTWAISQFASVERIVGEDKYFCETCHHYTEAERSLLFDKTPEVITIHLKRFSASSLEVDPYAGLSKVNTPLQTPLTLSLNEWCTKPSAATGQQYELFAVVMHSGVTISSGHYTTYIRMSNLKDAKVWLQDKEEKVSEEDVKESKEEAQTDENTTFEDGEVSVSLSTRGQRRAGLASTKSGSKKLLEGGVGLLGGQRSLPNCELGSSSKAANRDAAEGSKRRKTLSISSQNASGLKKEPEDSAVAPPGGMEAAEQQALTSLLEYEGKWLLFDDSEVRLFEEENFLRACCPETCSSSTPYLLFYKRIPEP
					

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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	27.9	Very low	29.5	Very low	241 Å²	241	129.3 Å²	129.3	100%	1.187	80%	0.803	S	S	*	*				0	141.8	0	-56	-174.2	-157.5	0	0	107.2
2	S	29.9	Very low	29.1	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	79%	0.79	S	S	*	*			cis	-171	151.7	-18.7	-72.6	0	0	0	0	105.5
3	G	29.6	Very low	28.9	Very low	60 Å²	60	130.5 Å²	130.5	62%	0.619	81%	0.805	S	S	*	*			cis	-148.4	-174.2	-1.9	0	0	0	0	0	110.3
4	L	33.8	Very low	28.6	Very low	161 Å²	161	126.9 Å²	126.9	84%	0.843	81%	0.806	S	S	*	*				64.4	129.1	80.8	-59.3	175.5	0	0	0	112.9
5	L	31	Very low	28.8	Very low	143 Å²	143	126 Å²	126	75%	0.749	81%	0.806	S	S	*	*			cis	-151	156.8	1.2	-92.8	154.4	0	0	0	107.4
6	A	29.8	Very low	29.5	Very low	75 Å²	75	124.6 Å²	124.6	62%	0.62	80%	0.797	S	S	*	*				53.3	147.9	86.5	0	0	0	0	0	115.3
7	E	30.2	Very low	29.4	Very low	163 Å²	163	123.5 Å²	123.5	76%	0.762	79%	0.789	S	S	*	*			cis	-163.8	156.2	21	-147.3	-179.5	135.8	0	0	115.5
8	N	28.6	Very low	29.5	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	78%	0.784	S	S	*	*			trans	20.5	146.3	149.2	-70.4	-37	0	0	0	126
9	A	28.2	Very low	29.6	Very low	103 Å²	103	130.5 Å²	130.5	85%	0.851	79%	0.786	S	S	*	*			trans	67.5	154.5	143.6	0	0	0	0	0	120.2
10	G	27.2	Very low	29.8	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	79%	0.788	S	S	*	*			cis	137.9	92	-7.8	0	0	0	0	0	114.5
11	T	27.9	Very low	29.8	Very low	154 Å²	154	134.6 Å²	134.6	95%	0.945	79%	0.79	S	S	*	*			trans	174.3	157.2	165	17	0	0	0	0	108.1
12	G	25.6	Very low	29.7	Very low	63 Å²	63	131 Å²	131	65%	0.649	78%	0.775	S	S	*	*			cis	157.8	125.7	-9.9	0	0	0	0	0	112.7
13	Q	26.3	Very low	29.6	Very low	211 Å²	211	129.9 Å²	129.9	99%	0.986	77%	0.767	S	S	*	*			trans	68.7	149.9	172.1	-52.6	179.9	-17.1	0	0	117.4
14	G	24.4	Very low	29.5	Very low	80 Å²	80	135.4 Å²	135.4	83%	0.825	78%	0.782	S	S	*	*			trans	154.2	36.4	172.7	0	0	0	0	0	121.1
15	S	31.7	Very low	29.3	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	78%	0.779	S	S	*	*			trans	-77.3	166.8	163	-144.1	0	0	0	0	109.7
16	P	39.3	Very low	29.1	Very low	103 Å²	103	138.5 Å²	138.5	67%	0.669	78%	0.782	S	S	*	*			cis	-156.5	177.6	19	45.2	-23	0	0	0	120.4
17	V	28.1	Very low	29.1	Very low	107 Å²	107	142.9 Å²	142.9	65%	0.648	79%	0.788	S	S	*	*			trans	83.9	138.4	131.3	127	0	0	0	0	124.6
18	K	31.6	Very low	28.9	Very low	161 Å²	161	141.8 Å²	141.8	70%	0.7	78%	0.783	S	S	*	*			trans	73	152.8	163.4	-73.8	155.4	-156.2	150.9	0	116.7
19	R	31.5	Very low	29.1	Very low	219 Å²	219	143.9 Å²	143.9	83%	0.826	79%	0.785	S	S	*	*			cis	-159.4	159.6	10.2	-130.4	158.7	-168	158.6	-2.6	112.9
20	N	33	Very low	29.2	Very low	156 Å²	156	148.4 Å²	148.4	83%	0.834	79%	0.786	S	S	*	*			trans	-78.9	151.2	173.6	-62	-0.4	0	0	0	114.5
21	K	30.8	Very low	29.4	Very low	191 Å²	191	151.8 Å²	151.8	83%	0.83	79%	0.788	S	S	*	*			trans	-177.2	122.1	141.2	-99.4	158.8	-179.3	-171.7	0	108.4
22	L	25.2	Very low	29.4	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	79%	0.787	S	S	*	*				81.3	143.5	67.8	-77.9	179.6	0	0	0	115.4
23	S	28.4	Very low	29.7	Very low	96 Å²	96	158.1 Å²	158.1	67%	0.671	80%	0.797	S	S	*	*			trans	90.2	90.8	166.1	-170.1	0	0	0	0	118.6
24	L	27.1	Very low	29.9	Very low	176 Å²	176	159.6 Å²	159.6	92%	0.921	79%	0.794	S	S	*	*			trans	-86.4	132.3	146.2	-114.7	169.6	0	0	0	108.9
25	K	28.6	Very low	30	Very low	179 Å²	179	160.2 Å²	160.2	78%	0.778	79%	0.791	S	S	*	*			trans	-133.4	148.2	168.4	-82.6	-171.1	174.9	-175.2	0	109.7
26	F	28.3	Very low	29.8	Very low	189 Å²	189	162.9 Å²	162.9	83%	0.829	80%	0.796	S	S	*	*			trans	-52.9	153.8	169.4	-60.8	-110.4	0	0	0	110.8
27	F	28.5	Very low	29.2	Very low	167 Å²	167	165.7 Å²	165.7	73%	0.732	81%	0.805	S	S	*	*				-161	144	56.1	-115	-97.5	0	0	0	114.2
28	Q	27.2	Very low	29.2	Very low	140 Å²	140	169.4 Å²	169.4	65%	0.654	81%	0.813	S	S	*	*			trans	34.7	143.8	144	-70.6	-174.1	10.3	0	0	125
29	K	31.3	Very low	29	Very low	179 Å²	179	167.3 Å²	167.3	78%	0.778	82%	0.819	S	S	*	*			trans	62.2	110.7	141.9	-73.6	178.7	174.3	-175.9	0	119.5
30	K	30.6	Very low	29	Very low	199 Å²	199	165.9 Å²	165.9	87%	0.865	82%	0.821	S	S	*	*				-171.4	158.6	91.3	-108	-175.8	176.9	-175.2	0	113.4
31	D	32	Very low	29.5	Very low	139 Å²	139	163.7 Å²	163.7	74%	0.743	82%	0.816	S	S	*	*			trans	-74.9	155.6	172.9	-37.5	-98.5	0	0	0	112
32	T	28.9	Very low	29.4	Very low	150 Å²	150	164 Å²	164	92%	0.92	82%	0.82	S	S	*	*			trans	-170.9	156.3	132.9	10.9	0	0	0	0	112.9
33	K	30.1	Very low	29.6	Very low	200 Å²	200	160.3 Å²	160.3	87%	0.87	81%	0.813	S	S	*	*			trans	-96.3	139.5	176.6	-54.5	172	-177.8	177.3	0	110.9
34	R	30.7	Very low	29.7	Very low	241 Å²	241	164.6 Å²	164.6	91%	0.909	82%	0.823	S	S	*	*			trans	-173.6	124.6	149.8	-103.4	165.1	179.6	-168.1	-3	106.6
35	A	26.9	Very low	29.9	Very low	94 Å²	94	163.5 Å²	163.5	78%	0.777	82%	0.818	S	S	*	*				66.4	118.8	57.3	0	0	0	0	0	112.3
36	L	27.7	Very low	29.9	Very low	169 Å²	169	158.6 Å²	158.6	89%	0.885	81%	0.811	S	S	*	*			trans	-114.6	137.9	168.7	-71.5	174.5	0	0	0	107.9
37	D	26	Very low	30	Very low	163 Å²	163	159.3 Å²	159.3	87%	0.872	81%	0.813	S	S	*	*			trans	-124.9	147.7	179.9	-159	-9.2	0	0	0	107.7
38	F	28.6	Very low	29.9	Very low	185 Å²	185	157.8 Å²	157.8	81%	0.811	82%	0.818	S	S	*	*			trans	-124.9	108.6	-167.6	-95.4	-78.4	0	0	0	112.7
39	S	28.6	Very low	30	Very low	117 Å²	117	158 Å²	158	82%	0.818	82%	0.823	S	S	*	*			trans	-170.5	151.7	157.8	-74.6	0	0	0	0	106.3
40	E	29.6	Very low	29.8	Very low	188 Å²	188	157.8 Å²	157.8	88%	0.879	83%	0.825	S	S	*	*			cis	-148	178.1	38.1	-92.6	-162.3	113.7	0	0	113.1
41	P	45.4	Very low	29.7	Very low	111 Å²	111	155.2 Å²	155.2	72%	0.721	82%	0.816	S	S	*	*			trans	-116.2	177.9	-162	43.3	-35	0	0	0	116.5
42	Q	27.3	Very low	29.4	Very low	197 Å²	197	156.2 Å²	156.2	92%	0.921	82%	0.816	S	S	*	*			trans	175.7	158.4	151.2	-102.3	-179.7	14	0	0	109.3
43	A	29.4	Very low	29.2	Very low	88 Å²	88	156.6 Å²	156.6	73%	0.727	81%	0.812	S	S	*	*			cis	-157.7	-169.1	-10.3	0	0	0	0	0	110.6
44	E	31.6	Very low	29.1	Very low	186 Å²	186	151.8 Å²	151.8	87%	0.869	80%	0.804	S	S	*	*			trans	-69.7	177.1	-172.1	-55.4	172.2	138.3	0	0	114.2
45	D	30	Very low	29.9	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	80%	0.797	S	S	*	*			cis	-170.2	173.7	32.8	-162.4	3.2	0	0	0	114.8
46	A	30.1	Very low	30.1	Very low	76 Å²	76	146.1 Å²	146.1	63%	0.628	80%	0.799	S	S	*	*			trans	75.9	94.7	146.9	0	0	0	0	0	125.7
47	K	29.7	Very low	30.1	Very low	204 Å²	204	143.8 Å²	143.8	89%	0.887	80%	0.797	S	S	*	*				25.1	145.6	129.7	-61.9	175.7	179.3	172.4	0	124.1
48	T	26	Very low	30.2	Very low	136 Å²	136	141.3 Å²	141.3	83%	0.834	79%	0.791	S	S	*	*				179	163.1	107.6	-70	0	0	0	0	113.7
49	L	29.9	Very low	30.1	Very low	144 Å²	144	139 Å²	139	75%	0.754	79%	0.787	S	S	*	*			trans	-73.6	-178.9	-169.9	-67	134.3	0	0	0	115.1
50	E	27	Very low	30.2	Very low	175 Å²	175	141 Å²	141	82%	0.818	78%	0.783	S	S	*	*			cis	-147.7	150.4	36.4	-71	173.8	155.7	0	0	111
51	Q	27.4	Very low	30.1	Very low	144 Å²	144	137.1 Å²	137.1	67%	0.673	77%	0.772	S	S	*	*				63.4	134.5	67	-85.9	-158.3	-63.8	0	0	115.2
52	E	27.2	Very low	29.3	Very low	161 Å²	161	138.6 Å²	138.6	75%	0.752	78%	0.779	S	S	*	*			cis	-153	166.9	-17.6	-67.9	-161.2	146.8	0	0	109.6
53	D	23.7	Very low	29.4	Very low	158 Å²	158	139.5 Å²	139.5	85%	0.845	78%	0.775	S	S	*	*				-179.1	170.8	114.5	-132.8	-35.7	0	0	0	113.9
54	S	28.1	Very low	29.5	Very low	99 Å²	99	138 Å²	138	69%	0.692	77%	0.768	S	S	*	*			trans	-146.8	169.8	179	74.5	0	0	0	0	112.3
55	P	46.6	Very low	29.7	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	77%	0.769	S	S	*	*				-160.2	163.1	77.4	41.5	-19.7	0	0	0	120.1
56	A	32.5	Very low	29.7	Very low	99 Å²	99	132.1 Å²	132.1	82%	0.818	76%	0.761	S	S	*	*			trans	40.6	126.4	141.6	0	0	0	0	0	124.6
57	S	27.8	Very low	30	Very low	121 Å²	121	134.7 Å²	134.7	85%	0.846	77%	0.772	S	S	*	*				-175.6	154.7	106.5	-175.1	0	0	0	0	113.3
58	C	26.7	Very low	30	Very low	110 Å²	110	130.5 Å²	130.5	74%	0.743	77%	0.767	S	S	*	*			trans	-73.2	171.2	168.6	-63.4	0	0	0	0	111.6
59	D	28.2	Very low	30.3	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	76%	0.761	S	S	*	*			cis	-160.5	174.7	20.1	-147.2	-24.5	0	0	0	114
60	Q	29.4	Very low	30.4	Very low	158 Å²	158	128.1 Å²	128.1	74%	0.738	77%	0.765	S	S	*	*			trans	78	112.5	154.2	-71	175	33.7	0	0	123.3
61	V	27.7	Very low	30.7	Very low	107 Å²	107	125 Å²	125	65%	0.648	76%	0.763	S	S	*	*			trans	61.5	106.1	135	-170	0	0	0	0	119.7	Y63	V61-Y63 HydrophobicContact CG1-CD2 3.68Å; V61-Y63 HydrophobicContact CG1-CE2 3.88Å
62	V	28.8	Very low	31.3	Very low	142 Å²	142	124.6 Å²	124.6	86%	0.861	77%	0.772	S	S	*	*			trans	-123.5	120.8	147.4	175.7	0	0	0	0	108.5
63	Y	29.2	Very low	31.3	Very low	217 Å²	217	120.5 Å²	120.5	85%	0.851	77%	0.774	S	S	*	*			trans	-87.1	112.8	165.5	-84.2	-87.9	0	0	0	109	V61	V61-Y63 HydrophobicContact CG1-CD2 3.68Å; V61-Y63 HydrophobicContact CG1-CE2 3.88Å
64	G	31.4	Very low	31.6	Very low	56 Å²	56	120.6 Å²	120.6	58%	0.577	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-71.4	152	168.5	0	0	0	0	0	111.7	A66	G64-A66 PolarHBondContact O-N 3.07Å
65	P	35.9	Very low	31.9	Very low	135 Å²	135	121.8 Å²	121.8	88%	0.877	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.5	134.3	175.6	27.2	-33.9	0	0	0	110.8
66	A	29.4	Very low	31.2	Very low	80 Å²	80	122.9 Å²	122.9	66%	0.661	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.3	146.3	-173.2	0	0	0	0	0	112.9	G64	G64-A66 PolarHBondContact O-N 3.07Å
67	P	37.8	Very low	31.1	Very low	130 Å²	130	123.6 Å²	123.6	84%	0.844	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67.1	143.1	166	30	-33.9	0	0	0	110.4
68	C	28.8	Very low	31.8	Very low	116 Å²	116	123.3 Å²	123.3	78%	0.784	77%	0.77	S	S	*	*			trans	-137.3	152.6	-177.4	-88.7	0	0	0	0	110.4
69	P	32.3	Very low	32.3	Very low	110 Å²	110	126.8 Å²	126.8	71%	0.714	78%	0.775	S	S	*	*				-118.8	159.8	-103.5	37.9	-33.5	0	0	0	114.9
70	S	33	Very low	32.9	Very low	120 Å²	120	128 Å²	128	84%	0.839	77%	0.774	S	S	*	*			trans	-64.1	150.9	161.4	46	0	0	0	0	111.1
71	S	32.1	Very low	33.8	Very low	109 Å²	109	128.8 Å²	128.8	76%	0.762	77%	0.77	S	S	*	*			trans	-146.2	153.4	174.7	-79.4	0	0	0	0	111.3
72	P	41	Very low	35	Very low	135 Å²	135	131.8 Å²	131.8	88%	0.877	78%	0.777	S	S	*	*			trans	-99.8	150.5	-158.9	37.3	-34.6	0	0	0	114.5
73	G	27.1	Very low	36.8	Very low	76 Å²	76	131.7 Å²	131.7	78%	0.784	77%	0.772	S	S	*	*			trans	-145.1	147.1	169.1	0	0	0	0	0	111.1
74	L	29.2	Very low	39.4	Very low	159 Å²	159	124.9 Å²	124.9	83%	0.832	75%	0.749	S	S	*	*			trans	-79.1	155.6	176.5	-78.7	156.8	0	0	0	111	I76	L74-I76 PolarHBondContact O-N 3.04Å
75	P	35.8	Very low	42.2	Very low	125 Å²	125	122.6 Å²	122.6	81%	0.812	72%	0.724	S	S	*	*			trans	-71.4	101.4	179.2	29.2	-34.3	0	0	0	111.4
76	I	30.4	Very low	44.9	Very low	139 Å²	139	116.6 Å²	116.6	71%	0.713	69%	0.685	S	S	*	*			trans	-85.5	134.5	167	-60.9	178.4	0	0	0	108	L74	L74-I76 PolarHBondContact O-N 3.04Å
77	P	30.9	Very low	47.9	Very low	113 Å²	113	112.8 Å²	112.8	73%	0.734	65%	0.654	S	S	*	*			trans	-86.7	122.9	-168.5	31.8	-34.6	0	0	0	114.5
78	C	42.7	Very low	50.7	Low	115 Å²	115	106.7 Å²	106.7	78%	0.777	61%	0.614	S	S	*	*			trans	61.7	56.5	146.2	-164.1	0	0	0	0	118.1	K80	C78-K80 PolarHBondContact O-N 2.9Å; C78-K80 VanDerWaalsContact O-N 3.1Å
79	E	36.7	Very low	53.9	Low	184 Å²	184	101.1 Å²	101.1	86%	0.86	58%	0.577	S	S	*	*			trans	-79.7	84.3	162.4	-73.1	171.6	178.5	0	0	110.1
80	K	41.2	Very low	57	Low	161 Å²	161	96 Å²	96	70%	0.7	54%	0.543	S	S	*	.			trans	-128.6	67.7	175	-110.2	-169.3	166.1	-86.3	0	110.1	C78 E184	C78-K80 PolarHBondContact O-N 2.9Å; C78-K80 VanDerWaalsContact O-N 3.1Å; K80-E184 IonicContact NZ-OE2 3.84Å; K80-E184 PolarHBondContact NZ-OE2 3.07Å; K80-E184 VanDerWaalsContact NZ-OE2 3.08Å
81	R	49.3	Very low	60.1	Low	176 Å²	176	92.5 Å²	92.5	66%	0.664	52%	0.515	S	S	*	.			trans	-158.7	16.7	176.7	-130.2	171.3	-172.1	-118.1	-9.2	117.8	D180	R81-D180 IonicContact CZ-OD1 2.7Å; R81-D180 IonicContact NH1-OD1 2.69Å; R81-D180 PolarHBondContact NH1-OD1 3.08Å; R81-D180 PolarHBondContact NH2-O 3.15Å; R81-D180 IonicContact NH2-OD1 3.67Å
82	E	52.2	Low	63	Low	169 Å²	169	89.8 Å²	89.8	79%	0.79	49%	0.492	S	S	*	.			trans	-113.9	149.5	-178.3	-60.4	-172.3	167.6	0	0	111.4
83	N	66.6	Low	65.5	Low	141 Å²	141	85.1 Å²	85.1	75%	0.754	46%	0.459	S	S	*	.			trans	83.1	23.1	171.1	-45.5	-66	0	0	0	119.5
84	L	82.9	Confident	68.4	Low	73 Å²	73	83.7 Å²	83.7	38%	0.382	45%	0.445	S	S	.	.			trans	-74.3	122.9	155.7	-72.6	-178.3	0	0	0	109.9	F175 F182	L84-F175 HydrophobicContact CB-CE2 4.01Å; L84-F175 HydrophobicContact CB-CZ 3.9Å; L84-F175 HydrophobicContact CD1-CE2 4.1Å; L84-F182 HydrophobicContact CD1-CB 4.38Å
85	V	90.6	Very high	71.4	Confident	9 Å²	9	79.3 Å²	79.3	6%	0.055	42%	0.422	C	S	.	.			trans	-91.7	153	174.3	-61.2	0	0	0	0	110.6	F87 L187 Y759 V771 L773	V85-F87 HydrophobicContact CB-CD2 4.13Å; V85-F87 HydrophobicContact CG2-CB 4.34Å; V85-F87 HydrophobicContact CG2-CD2 4.1Å; V85-F87 PolarHBondContact O-N 3.29Å; V85-L187 WeakPolarHBondContact O-CD2 3.37Å; V85-Y759 HydrophobicContact CB-CE1 4.14Å; V85-Y759 HydrophobicContact CG1-CE1 3.94Å; V85-V771 HydrophobicContact CG2-CB 3.91Å; V85-V771 HydrophobicContact CG2-CG1 3.81Å; V85-V771 WeakPolarHBondContact CG2-O 3.37Å; V85-L773 HydrophobicContact CG1-CB 4.1Å
86	P	92.3	Very high	74.3	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.052	39%	0.385	C	S	.	.	S	Bend	trans	-78.3	50.4	-175.5	33.5	-37.3	0	0	0	113.5	Q172 F175 L176 L756 Y759	P86-Q172 WeakPolarHBondContact O-CG 3.38Å; P86-Q172 PolarHBondContact O-NE2 2.76Å; P86-F175 HydrophobicContact CB-CD1 3.84Å; P86-F175 HydrophobicContact CB-CE1 3.82Å; P86-L176 HydrophobicContact CB-CD2 3.64Å; P86-L176 HydrophobicContact CB-CG 4.2Å; P86-L176 HydrophobicContact CG-CD2 4.4Å; P86-L756 HydrophobicContact CB-CD2 4.08Å; P86-L756 HydrophobicContact CG-CD2 3.88Å; P86-Y759 VanDerWaalsContact CD-CZ 3.48Å; P86-Y759 WeakPolarHBondContact CD-OH 3.24Å; P86-Y759 HydrophobicContact CG-CD2 4.21Å; P86-Y759 HydrophobicContact CG-CE2 3.7Å
87	F	94.3	Very high	77.5	Confident	1 Å²	1	67 Å²	67	0%	0.004	35%	0.351	C	S	.	.			trans	-141.9	140.3	-176.5	-61.2	-88.7	0	0	0	110.3	V85 Y108 L187 M614 L617 L756 Y759 L764 F766 V771	V85-F87 HydrophobicContact CB-CD2 4.13Å; V85-F87 HydrophobicContact CG2-CB 4.34Å; V85-F87 HydrophobicContact CG2-CD2 4.1Å; V85-F87 PolarHBondContact O-N 3.29Å; F87-Y108 HydrophobicContact CD1-CE1 4.33Å; F87-L187 WeakPolarHBondContact O-CD2 3.43Å; F87-M614 HydrophobicContact CD1-SD 3.95Å; F87-M614 HydrophobicContact CE1-CG 4.22Å; F87-M614 HydrophobicContact CE1-SD 3.53Å; F87-M614 VanDerWaalsContact CE1-SD 3.53Å; F87-M614 HydrophobicContact CZ-CG 4.18Å; F87-M614 HydrophobicContact CZ-SD 4.1Å; F87-L617 HydrophobicContact CE1-CD2 4.26Å; F87-L617 HydrophobicContact CZ-CD1 4.14Å; F87-L756 HydrophobicContact CE1-CD2 4.35Å; F87-L756 HydrophobicContact CE2-CD2 4.49Å; F87-L756 HydrophobicContact CZ-CD2 4.01Å; F87-Y759 AromaticContact CE2-CD1 3.72Å; F87-Y759 HydrophobicContact CE2-CD1 3.72Å; F87-Y759 AromaticContact CE2-CD2 3.94Å; F87-Y759 HydrophobicContact CE2-CD2 3.94Å; F87-Y759 HydrophobicContact CE2-CE1 4.21Å; F87-Y759 HydrophobicContact CE2-CE2 4.43Å; F87-Y759 AromaticContact CE2-CG 3.56Å; F87-Y759 HydrophobicContact CE2-CG 3.56Å; F87-Y759 HydrophobicContact CZ-CD1 4.48Å; F87-Y759 HydrophobicContact CZ-CD2 4.37Å; F87-Y759 AromaticContact CZ-CG 3.98Å; F87-Y759 HydrophobicContact CZ-CG 3.98Å; F87-L764 HydrophobicContact CB-CD1 3.85Å; F87-L764 HydrophobicContact CD1-CD1 3.74Å; F87-L764 HydrophobicContact CD2-CD1 3.39Å; F87-L764 HydrophobicContact CD2-CD2 4.5Å; F87-L764 HydrophobicContact CE1-CD1 4.12Å; F87-L764 HydrophobicContact CE2-CD1 3.8Å; F87-L764 HydrophobicContact CG-CD1 3.35Å; F87-L764 HydrophobicContact CZ-CD1 4.15Å; F87-F766 HydrophobicContact CB-CE1 4.44Å; F87-F766 HydrophobicContact CB-CZ 4.39Å; F87-V771 HydrophobicContact CB-CG1 4.03Å; F87-V771 WeakPolarHBondContact O-CG2 3.45Å
88	V	95.4	Very high	80.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	32%	0.317	C	S	.	.			trans	-97	129	-166.8	168.6	0	0	0	0	111.9	Q104 V168 L171 Q172 L187	V88-Q104 PolarHBondContact O-NE2 2.91Å; V88-V168 HydrophobicContact CB-CG1 4.17Å; V88-V168 HydrophobicContact CG1-CG1 4.38Å; V88-V168 HydrophobicContact CG1-CG2 4.14Å; V88-L171 HydrophobicContact CG1-CD2 3.91Å; V88-L171 HydrophobicContact CG2-CB 4.04Å; V88-L171 HydrophobicContact CG2-CD2 4.17Å; V88-L171 HydrophobicContact CG2-CG 4.05Å; V88-Q172 HydrophobicContact CG2-CB 3.99Å; V88-L187 WeakPolarHBondContact CA-O 3.49Å; V88-L187 HydrophobicContact CG2-CD1 3.9Å; V88-L187 HydrophobicContact CG2-CG 4.11Å
89	G	96.8	Very high	83.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	175.5	171.9	0	0	0	0	0	113.2	L187 A188 T189 D768	G89-L187 PolarHBondContact N-O 3.48Å; G89-A188 CarbonylContact O-C 3.52Å; G89-A188 VanDerWaalsContact O-CA 3.25Å; G89-A188 WeakPolarHBondContact O-CA 3.42Å; G89-T189 PolarHBondContact O-N 2.67Å; G89-D768 CarbonylContact C-O 3.6Å; G89-D768 WeakPolarHBondContact CA-O 3.44Å
90	L	97.8	Very high	86.2	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.6	171.7	-65.3	178.9	0	0	0	110.2	N92 N100 L103 Q104 L164 V168 T189 D768 S769	L90-N92 PolarHBondContact O-N 3.35Å; L90-N100 HydrophobicContact CB-CB 4.09Å; L90-N100 HydrophobicContact CD1-CB 4.26Å; L90-N100 PolarHBondContact O-ND2 3.34Å; L90-L103 HydrophobicContact CD1-CB 3.66Å; L90-L103 HydrophobicContact CD1-CD1 4.2Å; L90-Q104 HydrophobicContact CD1-CG 4.09Å; L90-Q104 HydrophobicContact CG-CG 4.38Å; L90-L164 HydrophobicContact CD2-CD1 3.88Å; L90-L164 HydrophobicContact CD2-CD2 4.26Å; L90-V168 HydrophobicContact CD2-CG2 4.48Å; L90-T189 VanDerWaalsContact CA-O 3.28Å; L90-T189 WeakPolarHBondContact CA-O 3.34Å; L90-T189 WeakPolarHBondContact CD2-O 3.43Å; L90-D768 PolarHBondContact N-O 2.99Å; L90-D768 CarbonylContact O-C 3.51Å; L90-D768 WeakPolarHBondContact O-CA 3.21Å; L90-S769 PolarHBondContact O-N 3.38Å
91	N	96.4	Very high	88.9	Confident	46 Å²	46	40.4 Å²	40.4	25%	0.246	21%	0.209	C	C	.	.			trans	-65.1	129.1	179.2	-52.6	103	0	0	0	110	L93 A188 T189 P190	N91-L93 PolarHBondContact O-N 3.32Å; N91-A188 WeakPolarHBondContact ND2-CB 3.41Å; N91-A188 PolarHBondContact OD1-O 3.25Å; N91-T189 PolarHBondContact N-O 3.49Å; N91-T189 VanDerWaalsContact N-O 3.1Å; N91-P190 HydrophobicContact CB-CB 4.14Å; N91-P190 VanDerWaalsContact OD1-CD 3.3Å; N91-P190 WeakPolarHBondContact OD1-CD 3.35Å; N91-P190 VanDerWaalsContact OD1-N 3.09Å
92	N	94.3	Very high	91.2	Very high	52 Å²	52	32 Å²	32	28%	0.278	18%	0.177	S	C	.	.			trans	-69.6	119.5	176.1	-159.9	-21.4	0	0	0	110.7	L90 G94 T96 N100 D768	L90-N92 PolarHBondContact O-N 3.35Å; N92-G94 PolarHBondContact ND2-O 3.5Å; N92-G94 PolarHBondContact O-N 3.02Å; N92-G94 VanDerWaalsContact OD1-C 3.3Å; N92-G94 PolarHBondContact OD1-N 2.96Å; N92-G94 PolarHBondContact OD1-O 2.83Å; N92-T96 WeakPolarHBondContact OD1-CA 3.46Å; N92-T96 PolarHBondContact OD1-N 3.03Å; N92-T96 PolarHBondContact OD1-OG1 3.2Å; N92-N100 WeakPolarHBondContact CA-ND2 3.43Å; N92-D768 HydrophobicContact CB-CB 4.05Å; N92-D768 WeakPolarHBondContact CB-OD2 3.38Å; N92-D768 PolarHBondContact ND2-OD2 3.03Å
93	L	93.4	Very high	93.5	Very high	36 Å²	36	24.2 Å²	24.2	19%	0.188	14%	0.141	C	C	.	.			trans	-89.4	43.4	179.4	-58.5	179.1	0	0	0	111.2	N91 T96 P190 P191 R192 L195	N91-L93 PolarHBondContact O-N 3.32Å; L93-T96 HydrophobicContact CB-CG2 4.35Å; L93-T96 PolarHBondContact N-OG1 3.41Å; L93-P190 HydrophobicContact CD2-CB 4.06Å; L93-P191 HydrophobicContact CD1-CG 4.28Å; L93-R192 HydrophobicContact CD1-CB 4.36Å; L93-R192 HydrophobicContact CD1-CG 3.73Å; L93-R192 HydrophobicContact CD2-CG 4.31Å; L93-L195 HydrophobicContact CB-CD2 3.75Å; L93-L195 HydrophobicContact CD1-CD2 3.7Å; L93-L195 HydrophobicContact CG-CD2 4.36Å
94	G	88.3	Confident	95	Very high	47 Å²	47	17.8 Å²	17.8	49%	0.485	11%	0.106	S	C	.	.	S	Bend	trans	110.9	-107.2	-178.5	0	0	0	0	0	112.2	N92	N92-G94 PolarHBondContact ND2-O 3.5Å; N92-G94 PolarHBondContact O-N 3.02Å; N92-G94 VanDerWaalsContact OD1-C 3.3Å; N92-G94 PolarHBondContact OD1-N 2.96Å; N92-G94 PolarHBondContact OD1-O 2.83Å
95	N	92.1	Very high	95.7	Very high	66 Å²	66	14.4 Å²	14.4	35%	0.353	9%	0.089	S	C	.	.	S	Bend	trans	-101.2	35.4	-178.7	-94.3	-34.1	0	0	0	112.1	Y98 Y208 Q210	N95-Y98 WeakPolarHBondContact O-CD1 2.98Å; N95-Y98 WeakPolarHBondContact O-CE1 3.11Å; N95-Y208 WeakPolarHBondContact CB-O 3.48Å; N95-Y208 PolarHBondContact ND2-O 2.98Å; N95-Q210 HydrophobicContact CB-CG 3.71Å; N95-Q210 PolarHBondContact OD1-NE2 3.33Å
96	T	96.1	Very high	96.1	Very high	4 Å²	4	14 Å²	14	3%	0.025	9%	0.086	C	C	.	.			trans	-105.2	13.5	-163.1	59.7	0	0	0	0	115.4	N92 L93 Y98 L99 N100 L195	N92-T96 WeakPolarHBondContact OD1-CA 3.46Å; N92-T96 PolarHBondContact OD1-N 3.03Å; N92-T96 PolarHBondContact OD1-OG1 3.2Å; L93-T96 HydrophobicContact CB-CG2 4.35Å; L93-T96 PolarHBondContact N-OG1 3.41Å; T96-Y98 PolarHBondContact O-N 3.49Å; T96-L99 WeakPolarHBondContact O-CA 3.46Å; T96-L99 WeakPolarHBondContact O-CB 3.37Å; T96-L99 PolarHBondContact O-N 3.16Å; T96-N100 PolarHBondContact O-N 2.66Å; T96-L195 HydrophobicContact CG2-CD1 4.16Å; T96-L195 HydrophobicContact CG2-CD2 3.96Å
97	C	96.6	Very high	96.3	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-29.6	176.6	53.6	0	0	0	0	113.1	L99 N100 S101 H607	C97-L99 PolarHBondContact O-N 2.87Å; C97-N100 PolarHBondContact O-N 2.71Å; C97-S101 VanDerWaalsContact O-CB 3.3Å; C97-S101 WeakPolarHBondContact O-CB 3.41Å; C97-S101 PolarHBondContact O-N 3.1Å; C97-S101 PolarHBondContact O-OG 3.21Å; C97-H607 VanDerWaalsContact CB-ND1 3.32Å; C97-H607 WeakPolarHBondContact CB-ND1 3.45Å; C97-H607 PolarHBondContact SG-ND1 3.2Å
98	Y	97.2	Very high	96.4	Very high	4 Å²	4	16 Å²	16	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-32	170.8	71.1	-102	0	0	0	113	N95 T96 S101 I102 Y205 H211 V216	N95-Y98 WeakPolarHBondContact O-CD1 2.98Å; N95-Y98 WeakPolarHBondContact O-CE1 3.11Å; T96-Y98 PolarHBondContact O-N 3.49Å; Y98-S101 PolarHBondContact O-OG 3.48Å; Y98-I102 WeakPolarHBondContact O-CG1 3.21Å; Y98-Y205 HydrophobicContact CE2-CD1 4.31Å; Y98-H211 VanDerWaalsContact CB-O 3.29Å; Y98-H211 WeakPolarHBondContact CB-O 3.17Å; Y98-H211 HydrophobicContact CD1-CB 4.19Å; Y98-H211 VanDerWaalsContact CD1-N 3.35Å; Y98-H211 HydrophobicContact CD2-CB 4.04Å; Y98-H211 HydrophobicContact CE1-CB 4.06Å; Y98-H211 AromaticContact CE1-CD2 3.66Å; Y98-H211 HydrophobicContact CE2-CB 3.93Å; Y98-H211 HydrophobicContact CG-CB 4.18Å; Y98-H211 AromaticContact CZ-CD2 3.55Å; Y98-H211 PolarHBondContact OH-CD2 2.95Å; Y98-V216 HydrophobicContact CD2-CB 4.16Å; Y98-V216 HydrophobicContact CD2-CG1 4.05Å; Y98-V216 HydrophobicContact CD2-CG2 3.41Å; Y98-V216 VanDerWaalsContact CD2-CG2 3.41Å; Y98-V216 HydrophobicContact CE2-CB 4.48Å; Y98-V216 HydrophobicContact CE2-CG1 4.2Å; Y98-V216 HydrophobicContact CE2-CG2 3.54Å
99	L	97.8	Very high	96.4	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-85.8	-45.4	177.9	177.9	62.2	0	0	0	109.8	T96 C97 S101 I102 L103 L195 I198 V216 I220	T96-L99 WeakPolarHBondContact O-CA 3.46Å; T96-L99 WeakPolarHBondContact O-CB 3.37Å; T96-L99 PolarHBondContact O-N 3.16Å; C97-L99 PolarHBondContact O-N 2.87Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.46Å; L99-I102 PolarHBondContact O-N 3.47Å; L99-L103 HydrophobicContact CD1-CD1 4.01Å; L99-L103 HydrophobicContact CD1-CD2 4.26Å; L99-L103 HydrophobicContact CD1-CG 3.87Å; L99-L103 HydrophobicContact CD2-CD1 4.3Å; L99-L103 HydrophobicContact CG-CD1 3.75Å; L99-L103 HydrophobicContact CG-CG 4.05Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 2.89Å; L99-L195 HydrophobicContact CD2-CB 4.13Å; L99-L195 HydrophobicContact CD2-CD1 3.81Å; L99-I198 HydrophobicContact CD1-CD1 3.71Å; L99-I198 HydrophobicContact CD2-CD1 4.43Å; L99-V216 HydrophobicContact CD1-CG1 3.91Å; L99-I220 HydrophobicContact CD1-CD1 3.85Å
100	N	98.1	Very high	96.1	Very high	3 Å²	3	18 Å²	18	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-58.4	-43.3	179.4	-72.9	-11.5	0	0	0	112.1	L90 N92 T96 C97 L103 Q104 P191 D768	L90-N100 HydrophobicContact CB-CB 4.09Å; L90-N100 HydrophobicContact CD1-CB 4.26Å; L90-N100 PolarHBondContact O-ND2 3.34Å; N92-N100 WeakPolarHBondContact CA-ND2 3.43Å; T96-N100 PolarHBondContact O-N 2.66Å; C97-N100 PolarHBondContact O-N 2.71Å; N100-L103 PolarHBondContact O-N 3.22Å; N100-Q104 WeakPolarHBondContact O-CG 3.4Å; N100-Q104 PolarHBondContact O-N 3.32Å; N100-P191 WeakPolarHBondContact OD1-CG 3.32Å; N100-D768 WeakPolarHBondContact CB-OD1 3.33Å; N100-D768 PolarHBondContact ND2-OD1 3.46Å
101	S	98.4	Very high	95.8	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-46.6	176.3	50.6	0	0	0	0	112.5	C97 Y98 L99 V105 Y608 T610	C97-S101 VanDerWaalsContact O-CB 3.3Å; C97-S101 WeakPolarHBondContact O-CB 3.41Å; C97-S101 PolarHBondContact O-N 3.1Å; C97-S101 PolarHBondContact O-OG 3.21Å; Y98-S101 PolarHBondContact O-OG 3.48Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.46Å; S101-V105 WeakPolarHBondContact O-CG2 3.18Å; S101-V105 PolarHBondContact O-N 3.19Å; S101-V105 VanDerWaalsContact O-N 3.14Å; S101-Y608 WeakPolarHBondContact OG-CB 3.42Å; S101-T610 WeakPolarHBondContact CA-OG1 3.37Å; S101-T610 WeakPolarHBondContact CB-OG1 3.35Å; S101-T610 PolarHBondContact O-OG1 2.76Å
102	I	98.7	Very high	95.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.9	-43	175.7	-66.5	-57.4	0	0	0	112.4	Y98 L99 Q104 V105 L106 A213 L217 I220 V596 L795 F797	Y98-I102 WeakPolarHBondContact O-CG1 3.21Å; L99-I102 PolarHBondContact O-N 3.47Å; I102-Q104 VanDerWaalsContact C-N 3.31Å; I102-Q104 PolarHBondContact O-N 3.27Å; I102-V105 PolarHBondContact O-N 2.93Å; I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CG 4.28Å; I102-L106 WeakPolarHBondContact O-CB 3.34Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 3.48Å; I102-A213 HydrophobicContact CD1-CB 4.15Å; I102-A213 WeakPolarHBondContact CD1-O 3.42Å; I102-A213 HydrophobicContact CG1-CB 4.07Å; I102-L217 HydrophobicContact CD1-CB 4.01Å; I102-L217 HydrophobicContact CG1-CB 4.46Å; I102-L217 HydrophobicContact CG2-CB 4.24Å; I102-L217 HydrophobicContact CG2-CD1 3.96Å; I102-I220 HydrophobicContact CG2-CD1 4.05Å; I102-V596 HydrophobicContact CD1-CG2 4.38Å; I102-L795 HydrophobicContact CD1-CD1 3.71Å; I102-F797 HydrophobicContact CD1-CZ 4.45Å
103	L	98.6	Very high	95.7	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-37.3	178.2	-69.7	179.3	0	0	0	112	L90 L99 N100 L106 Y107 F161 L164 P191 I194 I220	L90-L103 HydrophobicContact CD1-CB 3.66Å; L90-L103 HydrophobicContact CD1-CD1 4.2Å; L99-L103 HydrophobicContact CD1-CD1 4.01Å; L99-L103 HydrophobicContact CD1-CD2 4.26Å; L99-L103 HydrophobicContact CD1-CG 3.87Å; L99-L103 HydrophobicContact CD2-CD1 4.3Å; L99-L103 HydrophobicContact CG-CD1 3.75Å; L99-L103 HydrophobicContact CG-CG 4.05Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 2.89Å; N100-L103 PolarHBondContact O-N 3.22Å; L103-L106 PolarHBondContact O-N 3.3Å; L103-Y107 WeakPolarHBondContact O-CB 3.4Å; L103-Y107 PolarHBondContact O-N 3.02Å; L103-F161 HydrophobicContact CD2-CD1 4.47Å; L103-F161 HydrophobicContact CD2-CE1 3.43Å; L103-F161 VanDerWaalsContact CD2-CE1 3.43Å; L103-F161 HydrophobicContact CD2-CZ 3.61Å; L103-L164 HydrophobicContact CD1-CD2 4.08Å; L103-P191 HydrophobicContact CD1-CB 3.86Å; L103-P191 HydrophobicContact CD1-CG 4.31Å; L103-I194 HydrophobicContact CD1-CD1 4.23Å; L103-I194 HydrophobicContact CD1-CG2 4.31Å; L103-I194 HydrophobicContact CD2-CD1 3.94Å; L103-I194 HydrophobicContact CD2-CG2 4.15Å; L103-I220 HydrophobicContact CD2-CD1 4.42Å
104	Q	98	Very high	95.6	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-65.9	-46	172.7	-69.3	-72.4	16.6	0	0	111.5	V88 L90 N100 I102 L106 Y107 Y108 I612 F766	V88-Q104 PolarHBondContact O-NE2 2.91Å; L90-Q104 HydrophobicContact CD1-CG 4.09Å; L90-Q104 HydrophobicContact CG-CG 4.38Å; N100-Q104 WeakPolarHBondContact O-CG 3.4Å; N100-Q104 PolarHBondContact O-N 3.32Å; I102-Q104 VanDerWaalsContact C-N 3.31Å; I102-Q104 PolarHBondContact O-N 3.27Å; Q104-L106 VanDerWaalsContact C-N 3.31Å; Q104-L106 PolarHBondContact O-N 2.69Å; Q104-Y107 PolarHBondContact O-N 2.95Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.31Å; Q104-Y108 PolarHBondContact O-N 2.92Å; Q104-I612 HydrophobicContact CB-CD1 4.01Å; Q104-I612 WeakPolarHBondContact O-CD1 3.21Å; Q104-F766 HydrophobicContact CB-CB 4.49Å; Q104-F766 HydrophobicContact CB-CG 4.41Å; Q104-F766 VanDerWaalsContact CD-CD1 3.46Å; Q104-F766 HydrophobicContact CG-CB 4.13Å; Q104-F766 HydrophobicContact CG-CD1 4.05Å; Q104-F766 HydrophobicContact CG-CG 4.14Å; Q104-F766 VanDerWaalsContact NE2-CD1 3.26Å
105	V	98.4	Very high	95.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-55.4	-47.5	174.3	174.5	0	0	0	0	111.1	S101 I102 Y108 C109 A594 V596 T610 F797	S101-V105 WeakPolarHBondContact O-CG2 3.18Å; S101-V105 PolarHBondContact O-N 3.19Å; S101-V105 VanDerWaalsContact O-N 3.14Å; I102-V105 PolarHBondContact O-N 2.93Å; V105-Y108 PolarHBondContact O-N 3.13Å; V105-C109 WeakPolarHBondContact O-CB 3.46Å; V105-C109 PolarHBondContact O-N 3.34Å; V105-A594 HydrophobicContact CG1-CB 4.26Å; V105-A594 HydrophobicContact CG2-CB 4.08Å; V105-V596 HydrophobicContact CG2-CG2 3.7Å; V105-T610 HydrophobicContact CG2-CG2 3.42Å; V105-T610 VanDerWaalsContact CG2-CG2 3.42Å; V105-F797 HydrophobicContact CB-CE2 4.4Å; V105-F797 HydrophobicContact CG1-CB 4.41Å; V105-F797 HydrophobicContact CG1-CD1 3.72Å; V105-F797 HydrophobicContact CG1-CD2 3.74Å; V105-F797 HydrophobicContact CG1-CE1 3.8Å; V105-F797 HydrophobicContact CG1-CE2 3.83Å; V105-F797 HydrophobicContact CG1-CG 3.68Å; V105-F797 HydrophobicContact CG1-CZ 3.85Å; V105-F797 HydrophobicContact CG2-CD2 4.09Å; V105-F797 HydrophobicContact CG2-CE2 3.87Å; V105-F797 HydrophobicContact CG2-CZ 4.41Å
106	L	98.1	Very high	96	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-37.6	-178.5	-69.8	176.1	0	0	0	112.4	I102 L103 Q104 Y108 C109 F112 F161 L217 I220 L221 F442	I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CG 4.28Å; I102-L106 WeakPolarHBondContact O-CB 3.34Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 3.48Å; L103-L106 PolarHBondContact O-N 3.3Å; Q104-L106 VanDerWaalsContact C-N 3.31Å; Q104-L106 PolarHBondContact O-N 2.69Å; L106-Y108 PolarHBondContact O-N 3.38Å; L106-C109 WeakPolarHBondContact O-CB 3.47Å; L106-C109 PolarHBondContact O-N 3.35Å; L106-F112 HydrophobicContact CB-CD1 4.04Å; L106-F112 HydrophobicContact CB-CE1 3.75Å; L106-F112 HydrophobicContact CB-CZ 4.09Å; L106-F112 HydrophobicContact CD1-CZ 4.12Å; L106-F112 HydrophobicContact CD2-CD2 4.22Å; L106-F112 HydrophobicContact CD2-CE2 3.97Å; L106-F112 HydrophobicContact CD2-CZ 4.13Å; L106-F112 HydrophobicContact CG-CE1 4.5Å; L106-F112 HydrophobicContact CG-CZ 4.34Å; L106-F112 WeakPolarHBondContact O-CD1 3.42Å; L106-F161 HydrophobicContact CD1-CE1 4.47Å; L106-F161 HydrophobicContact CD1-CZ 4.28Å; L106-L217 HydrophobicContact CD1-CD1 4.39Å; L106-L217 HydrophobicContact CD2-CD1 4.06Å; L106-L217 HydrophobicContact CG-CD1 4.39Å; L106-I220 HydrophobicContact CD1-CG2 3.74Å; L106-L221 HydrophobicContact CD2-CD2 4.24Å; L106-F442 HydrophobicContact CD2-CE2 4.46Å; L106-F442 HydrophobicContact CD2-CZ 3.86Å
107	Y	97	Very high	95.9	Very high	15 Å²	15	16 Å²	16	6%	0.059	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-40.4	177.3	179.3	-93.2	0	0	0	112.8	L103 Q104 R113 M165 V168 E169	L103-Y107 WeakPolarHBondContact O-CB 3.4Å; L103-Y107 PolarHBondContact O-N 3.02Å; Q104-Y107 PolarHBondContact O-N 2.95Å; Y107-R113 PolarHBondContact OH-NH1 3.14Å; Y107-M165 HydrophobicContact CD2-CG 4.08Å; Y107-M165 HydrophobicContact CE2-CB 4.38Å; Y107-M165 HydrophobicContact CE2-CG 4.3Å; Y107-V168 HydrophobicContact CD2-CG1 4.35Å; Y107-V168 HydrophobicContact CE1-CG1 3.92Å; Y107-V168 HydrophobicContact CE2-CB 4.21Å; Y107-V168 HydrophobicContact CE2-CG1 3.72Å; Y107-V168 VanDerWaalsContact CZ-CG1 3.48Å; Y107-E169 WeakPolarHBondContact OH-CG 3.36Å
108	Y	96.2	Very high	95.7	Very high	37 Å²	37	20.9 Å²	20.9	15%	0.145	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.8	176.1	-64.7	-79.8	0	0	0	113.8	F87 Q104 V105 L106 P110 I612 M614 F766	F87-Y108 HydrophobicContact CD1-CE1 4.33Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.31Å; Q104-Y108 PolarHBondContact O-N 2.92Å; V105-Y108 PolarHBondContact O-N 3.13Å; L106-Y108 PolarHBondContact O-N 3.38Å; Y108-P110 WeakPolarHBondContact O-CD 3.43Å; Y108-I612 HydrophobicContact CD2-CD1 3.5Å; Y108-I612 HydrophobicContact CD2-CG2 4.35Å; Y108-I612 HydrophobicContact CE2-CD1 4.26Å; Y108-I612 HydrophobicContact CG-CD1 4.21Å; Y108-I612 HydrophobicContact CG-CG2 4.09Å; Y108-M614 HydrophobicContact CD1-CE 4.03Å; Y108-M614 HydrophobicContact CD1-SD 4.06Å; Y108-M614 HydrophobicContact CE1-CE 4.11Å; Y108-M614 HydrophobicContact CE1-SD 3.8Å; Y108-M614 HydrophobicContact CG-CE 4.31Å; Y108-F766 HydrophobicContact CD2-CE2 4.4Å; Y108-F766 HydrophobicContact CD2-CZ 4.26Å; Y108-F766 AromaticContact CE2-CE1 3.89Å; Y108-F766 HydrophobicContact CE2-CE1 3.89Å; Y108-F766 AromaticContact CE2-CE2 3.91Å; Y108-F766 HydrophobicContact CE2-CE2 3.91Å; Y108-F766 AromaticContact CE2-CZ 3.35Å; Y108-F766 HydrophobicContact CE2-CZ 3.35Å; Y108-F766 AromaticContact CZ-CZ 3.66Å
109	C	95.9	Very high	95.5	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.027	11%	0.106	C	C	.	.	S	Bend	trans	-70.9	121	176.6	-174.9	0	0	0	0	110.2	V105 L106 G111 F112 F593	V105-C109 WeakPolarHBondContact O-CB 3.46Å; V105-C109 PolarHBondContact O-N 3.34Å; L106-C109 WeakPolarHBondContact O-CB 3.47Å; L106-C109 PolarHBondContact O-N 3.35Å; C109-G111 PolarHBondContact O-N 3.31Å; C109-G111 VanDerWaalsContact O-N 3.17Å; C109-F112 HydrophobicContact CB-CB 3.84Å; C109-F112 WeakPolarHBondContact O-CB 3.43Å; C109-F112 PolarHBondContact O-N 2.94Å; C109-F112 VanDerWaalsContact O-N 3.08Å; C109-F593 HydrophobicContact CB-CE2 4.46Å; C109-F593 HydrophobicContact CB-CZ 4.33Å
110	P	90.7	Very high	95.3	Very high	39 Å²	39	23.3 Å²	23.3	25%	0.253	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	121.4	-174.2	-28.5	35.8	0	0	0	113.3	Y108 F112 L441 K799	Y108-P110 WeakPolarHBondContact O-CD 3.43Å; P110-F112 VanDerWaalsContact C-N 3.25Å; P110-F112 PolarHBondContact O-N 3.41Å; P110-L441 WeakPolarHBondContact O-CD2 3.11Å; P110-K799 HydrophobicContact CG-CD 4.17Å
111	G	91.4	Very high	95	Very high	36 Å²	36	28 Å²	28	37%	0.371	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-8.9	177.9	0	0	0	0	0	115.9	C109 E114 G115	C109-G111 PolarHBondContact O-N 3.31Å; C109-G111 VanDerWaalsContact O-N 3.17Å; G111-E114 WeakPolarHBondContact CA-OE2 3.44Å; G111-G115 PolarHBondContact O-N 3.3Å
112	F	95.1	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-50.8	177.9	178.3	-93.9	0	0	0	111.4	L106 C109 P110 E114 G115 V116 F161 M165 L221 I224 M438 L441 F442	L106-F112 HydrophobicContact CB-CD1 4.04Å; L106-F112 HydrophobicContact CB-CE1 3.75Å; L106-F112 HydrophobicContact CB-CZ 4.09Å; L106-F112 HydrophobicContact CD1-CZ 4.12Å; L106-F112 HydrophobicContact CD2-CD2 4.22Å; L106-F112 HydrophobicContact CD2-CE2 3.97Å; L106-F112 HydrophobicContact CD2-CZ 4.13Å; L106-F112 HydrophobicContact CG-CE1 4.5Å; L106-F112 HydrophobicContact CG-CZ 4.34Å; L106-F112 WeakPolarHBondContact O-CD1 3.42Å; C109-F112 HydrophobicContact CB-CB 3.84Å; C109-F112 WeakPolarHBondContact O-CB 3.43Å; C109-F112 PolarHBondContact O-N 2.94Å; C109-F112 VanDerWaalsContact O-N 3.08Å; P110-F112 VanDerWaalsContact C-N 3.25Å; P110-F112 PolarHBondContact O-N 3.41Å; F112-E114 PolarHBondContact O-N 3.11Å; F112-G115 PolarHBondContact O-N 3.22Å; F112-G115 VanDerWaalsContact O-N 3.15Å; F112-V116 HydrophobicContact CD1-CG2 4.19Å; F112-V116 HydrophobicContact CD2-CG2 4.3Å; F112-V116 HydrophobicContact CE1-CG2 3.81Å; F112-V116 HydrophobicContact CE2-CG2 3.94Å; F112-V116 HydrophobicContact CG-CG2 4.44Å; F112-V116 HydrophobicContact CZ-CG2 3.69Å; F112-V116 WeakPolarHBondContact O-CG2 3.23Å; F112-V116 PolarHBondContact O-N 2.93Å; F112-F161 HydrophobicContact CE1-CD1 4.29Å; F112-F161 HydrophobicContact CE1-CE1 4.17Å; F112-F161 HydrophobicContact CZ-CE1 4.34Å; F112-M165 HydrophobicContact CD1-CE 4Å; F112-M165 HydrophobicContact CE1-CE 3.82Å; F112-L221 HydrophobicContact CE2-CD2 4.42Å; F112-I224 HydrophobicContact CE2-CD1 3.87Å; F112-I224 HydrophobicContact CZ-CD1 3.66Å; F112-M438 HydrophobicContact CD2-CE 4.14Å; F112-M438 HydrophobicContact CE2-CE 4.03Å; F112-L441 HydrophobicContact CB-CD1 4Å; F112-L441 HydrophobicContact CD2-CD1 4.31Å; F112-F442 AromaticContact CD2-CE2 3.94Å; F112-F442 HydrophobicContact CD2-CE2 3.94Å; F112-F442 HydrophobicContact CD2-CZ 4.29Å; F112-F442 HydrophobicContact CE2-CE2 4.33Å
113	R	92.9	Very high	94.2	Very high	58 Å²	58	30.7 Å²	30.7	22%	0.219	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-46.5	-178.7	-177.8	-178	64.5	-161.6	-9.5	112.2	Y107 G115 K117 M165 E169	Y107-R113 PolarHBondContact OH-NH1 3.14Å; R113-G115 VanDerWaalsContact C-N 3.3Å; R113-G115 PolarHBondContact O-N 2.88Å; R113-K117 WeakPolarHBondContact O-CB 3.43Å; R113-K117 WeakPolarHBondContact O-CG 3.4Å; R113-K117 PolarHBondContact O-N 3.39Å; R113-K117 VanDerWaalsContact O-N 3.07Å; R113-M165 HydrophobicContact CB-CE 4.22Å; R113-M165 HydrophobicContact CB-SD 4.38Å; R113-M165 HydrophobicContact CG-CE 4.22Å; R113-M165 HydrophobicContact CG-CG 4.1Å; R113-M165 HydrophobicContact CG-SD 3.78Å; R113-E169 WeakPolarHBondContact CD-OE1 3.5Å; R113-E169 IonicContact NE-OE1 3.97Å
114	E	92.1	Very high	93.5	Very high	70 Å²	70	36.2 Å²	36.2	33%	0.327	18%	0.181	S	C	.	.	H	α-helix	trans	-70.2	-29.2	178	-63.5	65.8	-140.2	0	0	111.8	G111 F112 K118	G111-E114 WeakPolarHBondContact CA-OE2 3.44Å; F112-E114 PolarHBondContact O-N 3.11Å; E114-K118 WeakPolarHBondContact O-CD 3.41Å; E114-K118 WeakPolarHBondContact O-CE 3.46Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.66Å
115	G	94.2	Very high	92.1	Very high	4 Å²	4	39.8 Å²	39.8	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-70.1	-52.4	173.3	0	0	0	0	0	112.5	G111 F112 R113 K117 K118 L119	G111-G115 PolarHBondContact O-N 3.3Å; F112-G115 PolarHBondContact O-N 3.22Å; F112-G115 VanDerWaalsContact O-N 3.15Å; R113-G115 VanDerWaalsContact C-N 3.3Å; R113-G115 PolarHBondContact O-N 2.88Å; G115-K117 PolarHBondContact O-N 3.1Å; G115-K118 PolarHBondContact O-N 2.76Å; G115-L119 WeakPolarHBondContact O-CG 3.47Å; G115-L119 PolarHBondContact O-N 3.2Å
116	V	95.1	Very high	89.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-39.8	-179.2	173.2	0	0	0	0	111.7	F112 L119 Y120 L158 F161 M165 L437	F112-V116 HydrophobicContact CD1-CG2 4.19Å; F112-V116 HydrophobicContact CD2-CG2 4.3Å; F112-V116 HydrophobicContact CE1-CG2 3.81Å; F112-V116 HydrophobicContact CE2-CG2 3.94Å; F112-V116 HydrophobicContact CG-CG2 4.44Å; F112-V116 HydrophobicContact CZ-CG2 3.69Å; F112-V116 WeakPolarHBondContact O-CG2 3.23Å; F112-V116 PolarHBondContact O-N 2.93Å; V116-L119 PolarHBondContact O-N 2.88Å; V116-Y120 WeakPolarHBondContact O-CB 3.07Å; V116-Y120 PolarHBondContact O-N 3.45Å; V116-L158 HydrophobicContact CG1-CD2 4.21Å; V116-F161 HydrophobicContact CG1-CB 3.69Å; V116-F161 HydrophobicContact CG1-CG 4.37Å; V116-M165 HydrophobicContact CB-CE 4.14Å; V116-M165 HydrophobicContact CG1-CE 4.26Å; V116-L437 HydrophobicContact CG2-CD2 4.11Å
117	K	92.9	Very high	87.3	Confident	42 Å²	42	53.3 Å²	53.3	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-50.7	171.6	-77.9	178.3	167.1	-179.6	0	111.3	R113 G115 L119 Y120 D121 M165 E169	R113-K117 WeakPolarHBondContact O-CB 3.43Å; R113-K117 WeakPolarHBondContact O-CG 3.4Å; R113-K117 PolarHBondContact O-N 3.39Å; R113-K117 VanDerWaalsContact O-N 3.07Å; G115-K117 PolarHBondContact O-N 3.1Å; K117-L119 PolarHBondContact O-N 2.89Å; K117-Y120 PolarHBondContact O-N 3.23Å; K117-D121 PolarHBondContact O-N 2.79Å; K117-M165 HydrophobicContact CG-SD 4.3Å; K117-E169 IonicContact NZ-OE1 2.9Å; K117-E169 PolarHBondContact NZ-OE1 2.92Å; K117-E169 IonicContact NZ-OE2 3.23Å; K117-E169 PolarHBondContact NZ-OE2 2.98Å
118	K	93.2	Very high	84.6	Confident	106 Å²	106	59.9 Å²	59.9	46%	0.461	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-35.4	177.4	-66.8	163.9	-164.8	161.4	0	113.7	E114 G115 L122 V434	E114-K118 WeakPolarHBondContact O-CD 3.41Å; E114-K118 WeakPolarHBondContact O-CE 3.46Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.66Å; G115-K118 PolarHBondContact O-N 2.76Å; K118-L122 WeakPolarHBondContact O-CB 3.45Å; K118-L122 VanDerWaalsContact O-CG 3.29Å; K118-L122 WeakPolarHBondContact O-CG 3.34Å; K118-L122 PolarHBondContact O-N 3.47Å; K118-V434 HydrophobicContact CB-CG1 3.67Å; K118-V434 HydrophobicContact CB-CG2 4.28Å; K118-V434 HydrophobicContact CD-CG2 3.9Å
119	L	93.4	Very high	82.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-43.7	175.1	-75.8	169.4	0	0	0	111.1	G115 V116 K117 L122 S123 L158 I224 C228 V434 L435 L437	G115-L119 WeakPolarHBondContact O-CG 3.47Å; G115-L119 PolarHBondContact O-N 3.2Å; V116-L119 PolarHBondContact O-N 2.88Å; K117-L119 PolarHBondContact O-N 2.89Å; L119-L122 PolarHBondContact O-N 3.31Å; L119-S123 PolarHBondContact O-N 3.04Å; L119-S123 VanDerWaalsContact O-N 3.1Å; L119-L158 HydrophobicContact CB-CD1 3.97Å; L119-L158 HydrophobicContact CB-CD2 4.42Å; L119-I224 HydrophobicContact CD1-CG2 4.38Å; L119-C228 VanDerWaalsContact CD1-SG 3.55Å; L119-V434 HydrophobicContact CD2-CG1 3.98Å; L119-V434 HydrophobicContact CG-CG1 4.07Å; L119-L435 HydrophobicContact CD2-CD2 4.01Å; L119-L437 HydrophobicContact CD1-CB 4.11Å; L119-L437 HydrophobicContact CD1-CD2 3.54Å; L119-L437 HydrophobicContact CD1-CG 4.49Å; L119-L437 HydrophobicContact CG-CD2 4.5Å
120	Y	93.3	Very high	79.5	Confident	57 Å²	57	72.2 Å²	72.2	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-43.9	175.4	-173.8	-135.7	0	0	0	111.4	V116 K117 L122 S123 K124 L158 S162	V116-Y120 WeakPolarHBondContact O-CB 3.07Å; V116-Y120 PolarHBondContact O-N 3.45Å; K117-Y120 PolarHBondContact O-N 3.23Å; Y120-L122 VanDerWaalsContact C-N 3.27Å; Y120-L122 PolarHBondContact O-N 2.81Å; Y120-S123 PolarHBondContact O-N 3.48Å; Y120-S123 PolarHBondContact O-OG 2.89Å; Y120-K124 HydrophobicContact CE1-CD 4.38Å; Y120-K124 HydrophobicContact CE2-CG 4.33Å; Y120-K124 PolarHBondContact O-N 3.36Å; Y120-K124 VanDerWaalsContact O-N 3.08Å; Y120-K124 VanDerWaalsContact OH-CE 3.25Å; Y120-K124 WeakPolarHBondContact OH-CE 2.82Å; Y120-L158 HydrophobicContact CD2-CB 4.14Å; Y120-L158 HydrophobicContact CG-CB 4.4Å; Y120-S162 VanDerWaalsContact CD1-CB 3.43Å
121	D	91.9	Very high	77.1	Confident	102 Å²	102	77.7 Å²	77.7	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-34.9	174.4	-61.9	-29.1	0	0	0	112.3	K117 S123 K124	K117-D121 PolarHBondContact O-N 2.79Å; D121-S123 VanDerWaalsContact C-N 3.34Å; D121-K124 PolarHBondContact O-N 3.09Å
122	L	90.4	Very high	75	Confident	35 Å²	35	85.5 Å²	85.5	18%	0.183	42%	0.416	C	S	.	.	H	α-helix	trans	-70.5	-25.9	174.2	-76.8	172.7	0	0	0	113.7	K118 L119 Y120 R125 I231 V434 L435	K118-L122 WeakPolarHBondContact O-CB 3.45Å; K118-L122 VanDerWaalsContact O-CG 3.29Å; K118-L122 WeakPolarHBondContact O-CG 3.34Å; K118-L122 PolarHBondContact O-N 3.47Å; L119-L122 PolarHBondContact O-N 3.31Å; Y120-L122 VanDerWaalsContact C-N 3.27Å; Y120-L122 PolarHBondContact O-N 2.81Å; L122-R125 PolarHBondContact O-NE 3.44Å; L122-I231 HydrophobicContact CB-CG2 4.36Å; L122-V434 HydrophobicContact CD1-CB 4.14Å; L122-V434 HydrophobicContact CD1-CG1 3.68Å; L122-L435 HydrophobicContact CD1-CD2 4.43Å
123	S	89.4	Confident	72.4	Confident	26 Å²	26	91.6 Å²	91.6	18%	0.182	45%	0.453	C	S	.	.	H	α-helix	trans	-82.1	-25.2	174.5	69.2	0	0	0	0	113.6	L119 Y120 D121 R125	L119-S123 PolarHBondContact O-N 3.04Å; L119-S123 VanDerWaalsContact O-N 3.1Å; Y120-S123 PolarHBondContact O-N 3.48Å; Y120-S123 PolarHBondContact O-OG 2.89Å; D121-S123 VanDerWaalsContact C-N 3.34Å; S123-R125 PolarHBondContact O-N 2.98Å
124	K	85	Confident	69.9	Low	121 Å²	121	93 Å²	93	53%	0.526	48%	0.478	S	S	.	.			trans	-78.2	47.1	178.6	-74.9	-169.2	173.2	-173.6	0	114	Y120 D121	Y120-K124 HydrophobicContact CE1-CD 4.38Å; Y120-K124 HydrophobicContact CE2-CG 4.33Å; Y120-K124 PolarHBondContact O-N 3.36Å; Y120-K124 VanDerWaalsContact O-N 3.08Å; Y120-K124 VanDerWaalsContact OH-CE 3.25Å; Y120-K124 WeakPolarHBondContact OH-CE 2.82Å; D121-K124 PolarHBondContact O-N 3.09Å
125	R	67.9	Low	67.6	Low	80 Å²	80	98.9 Å²	98.9	30%	0.302	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-63.1	126.5	-175.1	-76	153.9	166.1	-139.5	-43.1	110.6	L122 S123 E238	L122-R125 PolarHBondContact O-NE 3.44Å; S123-R125 PolarHBondContact O-N 2.98Å; R125-E238 IonicContact CZ-OE1 2.67Å; R125-E238 IonicContact CZ-OE2 3.77Å; R125-E238 IonicContact NE-OE1 3.75Å; R125-E238 IonicContact NH1-OE1 3.35Å; R125-E238 PolarHBondContact NH1-OE1 2.92Å; R125-E238 IonicContact NH1-OE2 3.36Å; R125-E238 PolarHBondContact NH1-OE2 2.87Å; R125-E238 VanDerWaalsContact NH1-OE2 3.13Å; R125-E238 IonicContact NH2-OE1 2.76Å; R125-E238 PolarHBondContact NH2-OE1 2.8Å; R125-E238 IonicContact NH2-OE2 3.98Å; R125-E238 PolarHBondContact NH2-OE2 3.48Å
126	P	52.7	Low	65	Low	119 Å²	119	105.9 Å²	105.9	77%	0.773	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-67.1	140.7	176.7	29.1	-34.2	0	0	0	109.3	K128	P126-K128 PolarHBondContact O-N 2.96Å
127	E	42.6	Very low	62.3	Low	168 Å²	168	115.5 Å²	115.5	79%	0.785	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-54.9	134.8	169.6	-64.5	-160.5	157.5	0	0	109.7	P129	E127-P129 WeakPolarHBondContact O-CD 3.49Å
128	K	41.2	Very low	59.6	Low	153 Å²	153	122.1 Å²	122.1	67%	0.665	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-58	121.2	167.9	-76.8	-176.9	177	178.2	0	107.1	P126 K130	P126-K128 PolarHBondContact O-N 2.96Å; K128-K130 PolarHBondContact O-N 3.32Å; K128-K130 VanDerWaalsContact O-N 3.1Å
129	P	42.3	Very low	57.1	Low	120 Å²	120	123.2 Å²	123.2	78%	0.779	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-61.1	120	175.1	25.6	-33	0	0	0	108.2	E127 D131	E127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-D131 PolarHBondContact O-N 2.67Å
130	K	42.2	Very low	54.3	Low	181 Å²	181	132.1 Å²	132.1	79%	0.787	68%	0.675	S	S	*	*			trans	-68.6	115.4	175.7	-69.3	165.5	-177.2	154.2	0	107.5	K128 E132	K128-K130 PolarHBondContact O-N 3.32Å; K128-K130 VanDerWaalsContact O-N 3.1Å; K130-E132 PolarHBondContact O-N 3.34Å
131	D	39.2	Very low	51.9	Low	154 Å²	154	135.1 Å²	135.1	82%	0.824	70%	0.704	S	S	*	*			trans	-59.5	109.8	179.8	-99.5	-46.1	0	0	0	110.6	P129 T133	P129-D131 PolarHBondContact O-N 2.67Å; D131-T133 PolarHBondContact O-N 3.07Å
132	E	48.1	Very low	49.4	Very low	200 Å²	200	139 Å²	139	94%	0.935	72%	0.719	S	S	*	*			trans	-70.2	87.8	179	-74.8	-157.2	134.7	0	0	111.1	K130	K130-E132 PolarHBondContact O-N 3.34Å
133	T	40.8	Very low	47	Very low	127 Å²	127	146.8 Å²	146.8	78%	0.779	76%	0.755	S	S	*	*			trans	-130	129.5	168.7	10.9	0	0	0	0	113.6	D131	D131-T133 PolarHBondContact O-N 3.07Å
134	A	40.5	Very low	44.3	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	78%	0.781	S	S	*	*			trans	73.9	64.5	162.7	0	0	0	0	0	120
135	K	43.4	Very low	42.1	Very low	193 Å²	193	153.4 Å²	153.4	84%	0.839	80%	0.796	S	S	*	*				55.3	127.3	120.4	-63.6	172.6	-179.9	173.7	0	121.2
136	N	40	Very low	40.3	Very low	151 Å²	151	155.3 Å²	155.3	81%	0.807	82%	0.82	S	S	*	*			trans	57.9	102.9	139.1	-61.5	17.4	0	0	0	119.5
137	E	37.4	Very low	39.5	Very low	201 Å²	201	155 Å²	155	94%	0.939	82%	0.816	S	S	*	*				-149.8	170.3	123.9	-119	167.9	-146.3	0	0	110.6
138	E	36.2	Very low	39.6	Very low	181 Å²	181	151.6 Å²	151.6	85%	0.846	81%	0.811	S	S	*	*			trans	-78.5	153.1	-162.5	-73.8	-171.1	137.7	0	0	115.4	Q140	E138-Q140 PolarHBondContact O-N 3.12Å
139	P	40.7	Very low	40.4	Very low	130 Å²	130	152.9 Å²	152.9	84%	0.844	82%	0.819	S	S	*	*			trans	-74.5	111.2	-177.2	30	-35.2	0	0	0	112.6
140	Q	35.1	Very low	42	Very low	186 Å²	186	153.2 Å²	153.2	87%	0.869	82%	0.819	S	S	*	*			trans	-103.6	130.8	159.7	-69.4	-162	3.7	0	0	111	E138 Q142	E138-Q140 PolarHBondContact O-N 3.12Å; Q140-Q142 PolarHBondContact O-N 2.85Å
141	S	43.9	Very low	43.9	Very low	121 Å²	121	148.3 Å²	148.3	85%	0.846	80%	0.804	S	S	*	*			trans	-70.1	110.4	-172.3	55.3	0	0	0	0	112.7
142	Q	38.5	Very low	46.4	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	78%	0.782	S	S	*	*			trans	-128.3	124.8	153.7	-63.7	-169.6	19.6	0	0	108.4	Q140 S144	Q140-Q142 PolarHBondContact O-N 2.85Å; Q142-S144 PolarHBondContact O-N 2.82Å; Q142-S144 VanDerWaalsContact O-N 3.13Å
143	Q	39.9	Very low	48.4	Very low	200 Å²	200	135.4 Å²	135.4	94%	0.935	75%	0.748	S	S	*	*			trans	-78	94.5	174.1	-67.7	170.7	-68.7	0	0	108.4
144	S	32.1	Very low	50.9	Low	106 Å²	106	130.1 Å²	130.1	74%	0.741	72%	0.715	S	S	*	*			trans	-72.2	117.6	151.5	57.2	0	0	0	0	107.4	Q142 C146	Q142-S144 PolarHBondContact O-N 2.82Å; Q142-S144 VanDerWaalsContact O-N 3.13Å; S144-C146 PolarHBondContact O-N 3.37Å
145	E	38.5	Very low	53.5	Low	179 Å²	179	126.3 Å²	126.3	84%	0.836	68%	0.682	S	S	*	*			trans	-61.7	105.7	166.6	-69.5	173.8	127	0	0	107.9	V147	E145-V147 VanDerWaalsContact C-N 3.26Å; E145-V147 PolarHBondContact O-N 3.07Å
146	C	30.3	Very low	56	Low	120 Å²	120	120.6 Å²	120.6	81%	0.811	66%	0.659	S	S	*	*			trans	-71.2	91.8	167.6	-168.7	0	0	0	0	106.6	S144 S148	S144-C146 PolarHBondContact O-N 3.37Å; C146-S148 VanDerWaalsContact C-N 3.33Å; C146-S148 PolarHBondContact O-N 3.4Å
147	V	37.6	Very low	58.7	Low	112 Å²	112	113.4 Å²	113.4	68%	0.679	62%	0.62	S	S	*	*			trans	-67.2	100.2	166.5	-179.8	0	0	0	0	105.8	E145 E149	E145-V147 VanDerWaalsContact C-N 3.26Å; E145-V147 PolarHBondContact O-N 3.07Å; V147-E149 PolarHBondContact O-N 2.91Å
148	S	44.4	Very low	61.5	Low	98 Å²	98	103.9 Å²	103.9	69%	0.685	58%	0.575	S	S	*	*			trans	-59	109.4	158.4	38.4	0	0	0	0	106.5	C146 T150	C146-S148 VanDerWaalsContact C-N 3.33Å; C146-S148 PolarHBondContact O-N 3.4Å; S148-T150 PolarHBondContact O-N 3.4Å
149	E	57.3	Low	64.3	Low	180 Å²	180	95.7 Å²	95.7	84%	0.841	54%	0.54	S	S	*	.			trans	-66	101	178.5	-68.5	-163.7	131.8	0	0	108.2	V147 V151	V147-E149 PolarHBondContact O-N 2.91Å; E149-V151 PolarHBondContact O-N 2.89Å; E149-V151 VanDerWaalsContact O-N 3.15Å
150	T	75.6	Confident	67	Low	126 Å²	126	90 Å²	90	77%	0.773	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-56.4	119.6	179.9	52.3	0	0	0	0	108.8	S148	S148-T150 PolarHBondContact O-N 3.4Å
151	V	83.2	Confident	70	Confident	78 Å²	78	81.4 Å²	81.4	47%	0.473	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-50.7	128.2	-177.1	177.2	0	0	0	0	109.3	E149 A153 I155 E156	E149-V151 PolarHBondContact O-N 2.89Å; E149-V151 VanDerWaalsContact O-N 3.15Å; V151-A153 PolarHBondContact O-N 3.1Å; V151-I155 HydrophobicContact CG1-CB 3.76Å; V151-I155 HydrophobicContact CG1-CG2 3.73Å; V151-E156 HydrophobicContact CB-CG 4.12Å; V151-E156 HydrophobicContact CG1-CG 3.89Å
152	P	91	Very high	72.4	Confident	56 Å²	56	76.4 Å²	76.4	36%	0.364	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-57.9	133.1	-178.6	-25.1	33.7	0	0	0	110.8	H154 I155 E156	P152-H154 PolarHBondContact O-N 2.98Å; P152-I155 HydrophobicContact CB-CG1 4.18Å; P152-I155 HydrophobicContact CG-CG1 4.33Å; P152-I155 WeakPolarHBondContact O-CA 3.49Å; P152-I155 VanDerWaalsContact O-CB 3.31Å; P152-I155 WeakPolarHBondContact O-CB 3.4Å; P152-I155 PolarHBondContact O-N 2.85Å; P152-E156 PolarHBondContact O-N 2.85Å
153	A	90.9	Very high	75.2	Confident	27 Å²	27	69.3 Å²	69.3	22%	0.223	40%	0.398	C	S	.	.	H	α-helix	trans	-58.6	-21.2	-172.2	0	0	0	0	0	114.3	V151 E156 L157 T197 L201	V151-A153 PolarHBondContact O-N 3.1Å; A153-E156 PolarHBondContact O-N 3.21Å; A153-L157 PolarHBondContact O-N 2.81Å; A153-T197 VanDerWaalsContact O-CG2 3.23Å; A153-T197 WeakPolarHBondContact O-CG2 3.4Å; A153-L201 HydrophobicContact CB-CD2 3.65Å; A153-L201 HydrophobicContact CB-CG 3.88Å
154	H	92.4	Very high	77.9	Confident	16 Å²	16	60.6 Å²	60.6	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-74.3	-28.3	172.2	56.5	-119.1	0	0	0	112.7	P152 L157 L201 E226 A227 T230	P152-H154 PolarHBondContact O-N 2.98Å; H154-L157 WeakPolarHBondContact O-CB 3.23Å; H154-L201 HydrophobicContact CB-CD2 4.29Å; H154-E226 HydrophobicContact CB-CB 4.49Å; H154-E226 IonicContact CE1-OE1 3.22Å; H154-E226 PolarHBondContact CE1-OE1 2.89Å; H154-E226 VanDerWaalsContact CE1-OE1 3.29Å; H154-E226 IonicContact CG-OE1 3.28Å; H154-E226 IonicContact ND1-OE1 2.71Å; H154-E226 PolarHBondContact ND1-OE1 3.38Å; H154-A227 HydrophobicContact CB-CB 4.34Å; H154-A227 WeakPolarHBondContact O-CB 3.21Å; H154-T230 PolarHBondContact CE1-OG1 3.46Å; H154-T230 VanDerWaalsContact CE1-OG1 3.31Å; H154-T230 WeakPolarHBondContact NE2-CB 3.42Å; H154-T230 PolarHBondContact NE2-OG1 2.86Å
155	I	94.7	Very high	80.9	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-74.2	-41.8	168.2	-55.1	-60.8	0	0	0	109.7	V151 P152 L157 L158 G159 A227 T230 I231	V151-I155 HydrophobicContact CG1-CB 3.76Å; V151-I155 HydrophobicContact CG1-CG2 3.73Å; P152-I155 HydrophobicContact CB-CG1 4.18Å; P152-I155 HydrophobicContact CG-CG1 4.33Å; P152-I155 WeakPolarHBondContact O-CA 3.49Å; P152-I155 VanDerWaalsContact O-CB 3.31Å; P152-I155 WeakPolarHBondContact O-CB 3.4Å; P152-I155 PolarHBondContact O-N 2.85Å; I155-L157 PolarHBondContact O-N 2.93Å; I155-L158 WeakPolarHBondContact O-CB 3.39Å; I155-L158 PolarHBondContact O-N 3.45Å; I155-G159 PolarHBondContact O-N 2.93Å; I155-A227 HydrophobicContact CD1-CB 4.03Å; I155-T230 HydrophobicContact CD1-CG2 4.2Å; I155-T230 HydrophobicContact CG1-CG2 4.48Å; I155-I231 HydrophobicContact CD1-CD1 4.05Å; I155-I231 HydrophobicContact CD1-CG1 3.74Å
156	E	95.4	Very high	83.5	Confident	73 Å²	73	49.5 Å²	49.5	34%	0.341	30%	0.298	S	S	.	.	H	α-helix	trans	-56.8	-35.3	173	-60.5	-173	143.6	0	0	111.8	V151 P152 A153 L158 G159 S160 T197	V151-E156 HydrophobicContact CB-CG 4.12Å; V151-E156 HydrophobicContact CG1-CG 3.89Å; P152-E156 PolarHBondContact O-N 2.85Å; A153-E156 PolarHBondContact O-N 3.21Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 2.59Å; E156-G159 CarbonylContact O-C 3.59Å; E156-G159 WeakPolarHBondContact O-CA 3.23Å; E156-G159 PolarHBondContact O-N 3.08Å; E156-S160 PolarHBondContact O-N 2.84Å; E156-S160 PolarHBondContact O-OG 3.1Å; E156-T197 HydrophobicContact CB-CG2 4.04Å
157	L	96.8	Very high	86.6	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-40	176.7	-176	63.6	0	0	0	111.8	A153 H154 I155 G159 S160 F161 I194 T197 I198 L201 I224	A153-L157 PolarHBondContact O-N 2.81Å; H154-L157 WeakPolarHBondContact O-CB 3.23Å; I155-L157 PolarHBondContact O-N 2.93Å; L157-G159 VanDerWaalsContact C-N 3.28Å; L157-G159 PolarHBondContact O-N 3.34Å; L157-S160 PolarHBondContact O-N 3.06Å; L157-F161 HydrophobicContact CD1-CD2 4.13Å; L157-F161 HydrophobicContact CD1-CE2 3.94Å; L157-F161 HydrophobicContact CD2-CE2 4.46Å; L157-F161 HydrophobicContact CG-CD2 4.02Å; L157-F161 HydrophobicContact CG-CE2 4Å; L157-F161 WeakPolarHBondContact O-CD2 3.38Å; L157-F161 PolarHBondContact O-N 2.99Å; L157-I194 HydrophobicContact CD1-CG2 4.3Å; L157-T197 HydrophobicContact CB-CG2 3.98Å; L157-T197 HydrophobicContact CD1-CG2 4.36Å; L157-I198 HydrophobicContact CD1-CG1 4.02Å; L157-L201 HydrophobicContact CB-CD1 4.12Å; L157-L201 HydrophobicContact CD2-CD1 3.96Å; L157-L201 HydrophobicContact CG-CD1 4.46Å; L157-I224 HydrophobicContact CD2-CG1 4.44Å
158	L	96.5	Very high	89.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-39.5	173.4	-56.5	177.5	0	0	0	111.2	V116 L119 Y120 I155 E156 F161 S162 I224 A227 I231	V116-L158 HydrophobicContact CG1-CD2 4.21Å; L119-L158 HydrophobicContact CB-CD1 3.97Å; L119-L158 HydrophobicContact CB-CD2 4.42Å; Y120-L158 HydrophobicContact CD2-CB 4.14Å; Y120-L158 HydrophobicContact CG-CB 4.4Å; I155-L158 WeakPolarHBondContact O-CB 3.39Å; I155-L158 PolarHBondContact O-N 3.45Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 2.59Å; L158-F161 PolarHBondContact O-N 2.86Å; L158-S162 WeakPolarHBondContact O-CB 3.47Å; L158-S162 PolarHBondContact O-N 3.38Å; L158-I224 HydrophobicContact CD2-CG1 4.29Å; L158-I224 HydrophobicContact CD2-CG2 4.24Å; L158-A227 HydrophobicContact CD1-CB 3.86Å; L158-A227 HydrophobicContact CD2-CB 4.3Å; L158-A227 HydrophobicContact CG-CB 4.06Å; L158-I231 HydrophobicContact CD1-CD1 4.02Å
159	G	95.3	Very high	91.7	Very high	9 Å²	9	37.1 Å²	37.1	9%	0.093	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-40.4	175.3	0	0	0	0	0	113.7	I155 E156 L157 F161 S162 S163	I155-G159 PolarHBondContact O-N 2.93Å; E156-G159 CarbonylContact O-C 3.59Å; E156-G159 WeakPolarHBondContact O-CA 3.23Å; E156-G159 PolarHBondContact O-N 3.08Å; L157-G159 VanDerWaalsContact C-N 3.28Å; L157-G159 PolarHBondContact O-N 3.34Å; G159-F161 VanDerWaalsContact C-N 3.35Å; G159-S162 PolarHBondContact O-N 2.81Å; G159-S163 VanDerWaalsContact O-CB 3.3Å; G159-S163 WeakPolarHBondContact O-CB 3.31Å; G159-S163 PolarHBondContact O-N 2.95Å
160	S	97.1	Very high	93.4	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-40	172.8	-76.1	0	0	0	0	111.6	E156 L157 L164 I194 T197	E156-S160 PolarHBondContact O-N 2.84Å; E156-S160 PolarHBondContact O-OG 3.1Å; L157-S160 PolarHBondContact O-N 3.06Å; S160-L164 PolarHBondContact O-N 2.88Å; S160-I194 WeakPolarHBondContact O-CG1 3.33Å; S160-T197 PolarHBondContact OG-OG1 3.42Å
161	F	97.7	Very high	94.3	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-50.8	170.4	-91.3	-73.5	0	0	0	112.5	L103 L106 F112 V116 L157 L158 G159 S163 L164 M165 I194 I220 I224	L103-F161 HydrophobicContact CD2-CD1 4.47Å; L103-F161 HydrophobicContact CD2-CE1 3.43Å; L103-F161 VanDerWaalsContact CD2-CE1 3.43Å; L103-F161 HydrophobicContact CD2-CZ 3.61Å; L106-F161 HydrophobicContact CD1-CE1 4.47Å; L106-F161 HydrophobicContact CD1-CZ 4.28Å; F112-F161 HydrophobicContact CE1-CD1 4.29Å; F112-F161 HydrophobicContact CE1-CE1 4.17Å; F112-F161 HydrophobicContact CZ-CE1 4.34Å; V116-F161 HydrophobicContact CG1-CB 3.69Å; V116-F161 HydrophobicContact CG1-CG 4.37Å; L157-F161 HydrophobicContact CD1-CD2 4.13Å; L157-F161 HydrophobicContact CD1-CE2 3.94Å; L157-F161 HydrophobicContact CD2-CE2 4.46Å; L157-F161 HydrophobicContact CG-CD2 4.02Å; L157-F161 HydrophobicContact CG-CE2 4Å; L157-F161 WeakPolarHBondContact O-CD2 3.38Å; L157-F161 PolarHBondContact O-N 2.99Å; L158-F161 PolarHBondContact O-N 2.86Å; G159-F161 VanDerWaalsContact C-N 3.35Å; F161-S163 VanDerWaalsContact C-N 3.27Å; F161-S163 PolarHBondContact O-N 3.42Å; F161-L164 PolarHBondContact O-N 2.95Å; F161-L164 VanDerWaalsContact O-N 3.12Å; F161-M165 HydrophobicContact CB-CE 4.24Å; F161-M165 HydrophobicContact CD1-CE 4.01Å; F161-M165 WeakPolarHBondContact O-CB 3.26Å; F161-M165 VanDerWaalsContact O-CG 3.23Å; F161-M165 WeakPolarHBondContact O-CG 3.47Å; F161-M165 PolarHBondContact O-N 3.41Å; F161-I194 HydrophobicContact CD1-CD1 3.74Å; F161-I194 HydrophobicContact CD2-CD1 4.44Å; F161-I194 HydrophobicContact CE1-CD1 3.96Å; F161-I194 HydrophobicContact CG-CD1 4Å; F161-I194 HydrophobicContact CZ-CD1 4.37Å; F161-I220 HydrophobicContact CE2-CG2 3.85Å; F161-I220 HydrophobicContact CZ-CG2 3.65Å; F161-I224 HydrophobicContact CD2-CD1 4.39Å; F161-I224 HydrophobicContact CE2-CD1 4Å
162	S	95.6	Very high	94.7	Very high	16 Å²	16	26.7 Å²	26.7	11%	0.112	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-38.7	179.3	-171.2	0	0	0	0	112	Y120 L158 G159 T166	Y120-S162 VanDerWaalsContact CD1-CB 3.43Å; L158-S162 WeakPolarHBondContact O-CB 3.47Å; L158-S162 PolarHBondContact O-N 3.38Å; G159-S162 PolarHBondContact O-N 2.81Å; S162-T166 WeakPolarHBondContact O-CB 3.47Å; S162-T166 PolarHBondContact O-N 3.24Å; S162-T166 PolarHBondContact O-OG1 3.48Å
163	S	95.9	Very high	94.7	Very high	33 Å²	33	24.1 Å²	24.1	23%	0.231	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-43.8	173.9	-168.7	0	0	0	0	112	G159 F161 S167 K193	G159-S163 VanDerWaalsContact O-CB 3.3Å; G159-S163 WeakPolarHBondContact O-CB 3.31Å; G159-S163 PolarHBondContact O-N 2.95Å; F161-S163 VanDerWaalsContact C-N 3.27Å; F161-S163 PolarHBondContact O-N 3.42Å; S163-S167 PolarHBondContact O-N 2.86Å; S163-S167 VanDerWaalsContact O-N 3.1Å; S163-S167 PolarHBondContact O-OG 2.91Å; S163-K193 PolarHBondContact OG-NZ 2.8Å
164	L	97	Very high	94.7	Very high	18 Å²	18	25.2 Å²	25.2	9%	0.094	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-47.4	176.4	178.6	61.6	0	0	0	111.6	L90 L103 S160 F161 T166 S167 V168 T189 P191 I194	L90-L164 HydrophobicContact CD2-CD1 3.88Å; L90-L164 HydrophobicContact CD2-CD2 4.26Å; L103-L164 HydrophobicContact CD1-CD2 4.08Å; S160-L164 PolarHBondContact O-N 2.88Å; F161-L164 PolarHBondContact O-N 2.95Å; F161-L164 VanDerWaalsContact O-N 3.12Å; L164-T166 VanDerWaalsContact C-N 3.25Å; L164-T166 PolarHBondContact O-N 3.41Å; L164-S167 PolarHBondContact O-N 2.93Å; L164-V168 HydrophobicContact CD1-CG2 4.04Å; L164-V168 HydrophobicContact CG-CG2 4.3Å; L164-V168 WeakPolarHBondContact O-CB 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.32Å; L164-V168 PolarHBondContact O-N 3.17Å; L164-T189 HydrophobicContact CD1-CG2 3.57Å; L164-P191 HydrophobicContact CD1-CB 4.29Å; L164-P191 HydrophobicContact CD2-CB 4.04Å; L164-I194 HydrophobicContact CB-CD1 3.83Å; L164-I194 HydrophobicContact CB-CG1 4.5Å; L164-I194 HydrophobicContact CD2-CD1 3.46Å; L164-I194 VanDerWaalsContact CD2-CD1 3.46Å; L164-I194 HydrophobicContact CG-CD1 4.28Å
165	M	95.3	Very high	94.7	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-43.4	177.9	-69.1	164.1	176.7	0	0	111	Y107 F112 R113 V116 K117 F161 V168 E169	Y107-M165 HydrophobicContact CD2-CG 4.08Å; Y107-M165 HydrophobicContact CE2-CB 4.38Å; Y107-M165 HydrophobicContact CE2-CG 4.3Å; F112-M165 HydrophobicContact CD1-CE 4Å; F112-M165 HydrophobicContact CE1-CE 3.82Å; R113-M165 HydrophobicContact CB-CE 4.22Å; R113-M165 HydrophobicContact CB-SD 4.38Å; R113-M165 HydrophobicContact CG-CE 4.22Å; R113-M165 HydrophobicContact CG-CG 4.1Å; R113-M165 HydrophobicContact CG-SD 3.78Å; V116-M165 HydrophobicContact CB-CE 4.14Å; V116-M165 HydrophobicContact CG1-CE 4.26Å; K117-M165 HydrophobicContact CG-SD 4.3Å; F161-M165 HydrophobicContact CB-CE 4.24Å; F161-M165 HydrophobicContact CD1-CE 4.01Å; F161-M165 WeakPolarHBondContact O-CB 3.26Å; F161-M165 VanDerWaalsContact O-CG 3.23Å; F161-M165 WeakPolarHBondContact O-CG 3.47Å; F161-M165 PolarHBondContact O-N 3.41Å; M165-V168 PolarHBondContact O-N 2.96Å; M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 VanDerWaalsContact O-CG 3.23Å; M165-E169 WeakPolarHBondContact O-CG 3.48Å; M165-E169 PolarHBondContact O-N 2.82Å
166	T	94.3	Very high	94.4	Very high	47 Å²	47	26 Å²	26	29%	0.288	15%	0.147	S	C	.	.	H	α-helix	trans	-65	-45	177.9	-55.1	0	0	0	0	111.9	S162 L164 V168 E169 Q170	S162-T166 WeakPolarHBondContact O-CB 3.47Å; S162-T166 PolarHBondContact O-N 3.24Å; S162-T166 PolarHBondContact O-OG1 3.48Å; L164-T166 VanDerWaalsContact C-N 3.25Å; L164-T166 PolarHBondContact O-N 3.41Å; T166-V168 PolarHBondContact O-N 3.31Å; T166-E169 PolarHBondContact O-N 2.92Å; T166-Q170 HydrophobicContact CG2-CG 4.38Å; T166-Q170 WeakPolarHBondContact O-CB 3.32Å; T166-Q170 VanDerWaalsContact O-CG 3.23Å; T166-Q170 WeakPolarHBondContact O-CG 3.36Å; T166-Q170 PolarHBondContact O-N 3.14Å
167	S	95.4	Very high	94	Very high	47 Å²	47	25.2 Å²	25.2	33%	0.329	15%	0.145	S	C	.	.	H	α-helix	trans	-64.1	-39.3	176.5	-63.8	0	0	0	0	113	S163 L164 L171	S163-S167 PolarHBondContact O-N 2.86Å; S163-S167 VanDerWaalsContact O-N 3.1Å; S163-S167 PolarHBondContact O-OG 2.91Å; L164-S167 PolarHBondContact O-N 2.93Å; S167-L171 VanDerWaalsContact O-CB 3.26Å; S167-L171 WeakPolarHBondContact O-CB 3.25Å; S167-L171 PolarHBondContact O-N 2.9Å
168	V	95.2	Very high	93.5	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-48.7	175.1	166.3	0	0	0	0	111	V88 L90 Y107 L164 M165 T166 L171 Q172	V88-V168 HydrophobicContact CB-CG1 4.17Å; V88-V168 HydrophobicContact CG1-CG1 4.38Å; V88-V168 HydrophobicContact CG1-CG2 4.14Å; L90-V168 HydrophobicContact CD2-CG2 4.48Å; Y107-V168 HydrophobicContact CD2-CG1 4.35Å; Y107-V168 HydrophobicContact CE1-CG1 3.92Å; Y107-V168 HydrophobicContact CE2-CB 4.21Å; Y107-V168 HydrophobicContact CE2-CG1 3.72Å; Y107-V168 VanDerWaalsContact CZ-CG1 3.48Å; L164-V168 HydrophobicContact CD1-CG2 4.04Å; L164-V168 HydrophobicContact CG-CG2 4.3Å; L164-V168 WeakPolarHBondContact O-CB 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.32Å; L164-V168 PolarHBondContact O-N 3.17Å; M165-V168 PolarHBondContact O-N 2.96Å; T166-V168 PolarHBondContact O-N 3.31Å; V168-L171 PolarHBondContact O-N 3.46Å; V168-Q172 VanDerWaalsContact O-CB 3.31Å; V168-Q172 WeakPolarHBondContact O-CB 3.31Å; V168-Q172 PolarHBondContact O-N 2.97Å
169	E	93.1	Very high	92.8	Very high	19 Å²	19	33.5 Å²	33.5	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-40.5	178.5	-72.3	169.1	-164.8	0	0	112.4	Y107 R113 K117 M165 T166 S173 W623	Y107-E169 WeakPolarHBondContact OH-CG 3.36Å; R113-E169 WeakPolarHBondContact CD-OE1 3.5Å; R113-E169 IonicContact NE-OE1 3.97Å; K117-E169 IonicContact NZ-OE1 2.9Å; K117-E169 PolarHBondContact NZ-OE1 2.92Å; K117-E169 IonicContact NZ-OE2 3.23Å; K117-E169 PolarHBondContact NZ-OE2 2.98Å; M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 VanDerWaalsContact O-CG 3.23Å; M165-E169 WeakPolarHBondContact O-CG 3.48Å; M165-E169 PolarHBondContact O-N 2.82Å; T166-E169 PolarHBondContact O-N 2.92Å; E169-S173 VanDerWaalsContact O-CB 3.31Å; E169-S173 WeakPolarHBondContact O-CB 3.11Å; E169-S173 PolarHBondContact O-N 3.31Å; E169-S173 PolarHBondContact O-OG 3.44Å; E169-W623 PolarHBondContact OE2-NE1 3.07Å
170	Q	93.3	Very high	92	Very high	105 Å²	105	38.7 Å²	38.7	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-44.6	175.8	-76.1	173.2	-14.6	0	0	112.2	T166 S173 S174	T166-Q170 HydrophobicContact CG2-CG 4.38Å; T166-Q170 WeakPolarHBondContact O-CB 3.32Å; T166-Q170 VanDerWaalsContact O-CG 3.23Å; T166-Q170 WeakPolarHBondContact O-CG 3.36Å; T166-Q170 PolarHBondContact O-N 3.14Å; Q170-S173 PolarHBondContact O-N 2.6Å; Q170-S174 WeakPolarHBondContact O-CB 3.32Å; Q170-S174 PolarHBondContact O-N 2.92Å
171	L	93.3	Very high	91.1	Very high	38 Å²	38	41 Å²	41	20%	0.199	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-39.5	-179.5	-171.6	61.8	0	0	0	111.5	V88 S167 V168 S174 F175 F182 L187	V88-L171 HydrophobicContact CG1-CD2 3.91Å; V88-L171 HydrophobicContact CG2-CB 4.04Å; V88-L171 HydrophobicContact CG2-CD2 4.17Å; V88-L171 HydrophobicContact CG2-CG 4.05Å; S167-L171 VanDerWaalsContact O-CB 3.26Å; S167-L171 WeakPolarHBondContact O-CB 3.25Å; S167-L171 PolarHBondContact O-N 2.9Å; V168-L171 PolarHBondContact O-N 3.46Å; L171-S174 PolarHBondContact O-N 2.91Å; L171-F175 PolarHBondContact O-N 3.44Å; L171-F182 HydrophobicContact CD1-CE1 3.85Å; L171-F182 HydrophobicContact CD1-CZ 4.39Å; L171-L187 HydrophobicContact CG-CD1 4.28Å
172	Q	93.1	Very high	90.4	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44.3	171.7	-174	174.8	33.7	0	0	111.7	P86 V88 V168 F175 L176	P86-Q172 WeakPolarHBondContact O-CG 3.38Å; P86-Q172 PolarHBondContact O-NE2 2.76Å; V88-Q172 HydrophobicContact CG2-CB 3.99Å; V168-Q172 VanDerWaalsContact O-CB 3.31Å; V168-Q172 WeakPolarHBondContact O-CB 3.31Å; V168-Q172 PolarHBondContact O-N 2.97Å; Q172-F175 PolarHBondContact O-N 2.68Å; Q172-L176 HydrophobicContact CG-CD1 4.06Å; Q172-L176 WeakPolarHBondContact O-CB 3.46Å; Q172-L176 WeakPolarHBondContact O-CG 3.05Å; Q172-L176 PolarHBondContact O-N 2.79Å
173	S	91	Very high	89.6	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-42.2	177.4	-59.4	0	0	0	0	112.1	E169 Q170 L176 L177 W623	E169-S173 VanDerWaalsContact O-CB 3.31Å; E169-S173 WeakPolarHBondContact O-CB 3.11Å; E169-S173 PolarHBondContact O-N 3.31Å; E169-S173 PolarHBondContact O-OG 3.44Å; Q170-S173 PolarHBondContact O-N 2.6Å; S173-L176 PolarHBondContact O-N 3.02Å; S173-L177 WeakPolarHBondContact O-CG 3.45Å; S173-L177 PolarHBondContact O-N 2.91Å; S173-L177 VanDerWaalsContact O-N 3.07Å; S173-W623 PolarHBondContact OG-N 2.92Å
174	S	91.2	Very high	88.2	Confident	51 Å²	51	50.1 Å²	50.1	36%	0.357	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-43.8	176.9	-170.8	0	0	0	0	112	Q170 L171 L177 N178	Q170-S174 WeakPolarHBondContact O-CB 3.32Å; Q170-S174 PolarHBondContact O-N 2.92Å; L171-S174 PolarHBondContact O-N 2.91Å; S174-L177 PolarHBondContact O-N 2.85Å; S174-N178 PolarHBondContact O-N 3.29Å
175	F	90.8	Very high	86.9	Confident	15 Å²	15	51.1 Å²	51.1	7%	0.066	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-42.6	174.5	-179.6	-88.8	0	0	0	113	L84 P86 L171 Q172 L177 N178 S179 F182 L187	L84-F175 HydrophobicContact CB-CE2 4.01Å; L84-F175 HydrophobicContact CB-CZ 3.9Å; L84-F175 HydrophobicContact CD1-CE2 4.1Å; P86-F175 HydrophobicContact CB-CD1 3.84Å; P86-F175 HydrophobicContact CB-CE1 3.82Å; L171-F175 PolarHBondContact O-N 3.44Å; Q172-F175 PolarHBondContact O-N 2.68Å; F175-L177 VanDerWaalsContact C-N 3.26Å; F175-L177 PolarHBondContact O-N 2.85Å; F175-N178 CarbonylContact O-C 3.53Å; F175-N178 PolarHBondContact O-N 2.84Å; F175-S179 WeakPolarHBondContact O-CA 3.39Å; F175-S179 WeakPolarHBondContact O-CB 3.41Å; F175-S179 PolarHBondContact O-N 2.89Å; F175-F182 VanDerWaalsContact CA-CE2 3.45Å; F175-F182 HydrophobicContact CB-CD2 4.28Å; F175-F182 HydrophobicContact CB-CE2 4Å; F175-F182 HydrophobicContact CB-CZ 4.12Å; F175-F182 HydrophobicContact CD2-CB 3.92Å; F175-F182 HydrophobicContact CD2-CD1 4.23Å; F175-F182 AromaticContact CD2-CD2 3.71Å; F175-F182 HydrophobicContact CD2-CD2 3.71Å; F175-F182 HydrophobicContact CD2-CE2 4.3Å; F175-F182 AromaticContact CD2-CG 3.68Å; F175-F182 HydrophobicContact CD2-CG 3.68Å; F175-F182 HydrophobicContact CE2-CB 4.14Å; F175-F182 HydrophobicContact CE2-CG 4.4Å; F175-F182 HydrophobicContact CG-CD2 4.42Å; F175-L187 HydrophobicContact CB-CD1 3.52Å; F175-L187 HydrophobicContact CD1-CD2 4.34Å; F175-L187 HydrophobicContact CD2-CD1 3.82Å; F175-L187 HydrophobicContact CD2-CD2 3.87Å; F175-L187 HydrophobicContact CD2-CG 4.42Å; F175-L187 HydrophobicContact CE2-CD2 4.07Å; F175-L187 HydrophobicContact CG-CD1 3.75Å; F175-L187 HydrophobicContact CG-CD2 4.02Å; F175-L187 HydrophobicContact CZ-CD2 4.38Å
176	L	89.2	Confident	86.3	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.141	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-31.5	178.4	-79.5	169.4	0	0	0	113.1	P86 Q172 S173 V622 A752 L756	P86-L176 HydrophobicContact CB-CD2 3.64Å; P86-L176 HydrophobicContact CB-CG 4.2Å; P86-L176 HydrophobicContact CG-CD2 4.4Å; Q172-L176 HydrophobicContact CG-CD1 4.06Å; Q172-L176 WeakPolarHBondContact O-CB 3.46Å; Q172-L176 WeakPolarHBondContact O-CG 3.05Å; Q172-L176 PolarHBondContact O-N 2.79Å; S173-L176 PolarHBondContact O-N 3.02Å; L176-V622 HydrophobicContact CD1-CG2 4.41Å; L176-A752 HydrophobicContact CB-CB 3.94Å; L176-A752 HydrophobicContact CD2-CB 4.41Å; L176-L756 HydrophobicContact CD1-CD1 3.83Å; L176-L756 HydrophobicContact CD1-CD2 4.11Å; L176-L756 HydrophobicContact CD1-CG 3.96Å; L176-L756 HydrophobicContact CD2-CD2 4.08Å; L176-L756 HydrophobicContact CD2-CG 4.07Å
177	L	87.3	Confident	86.2	Confident	56 Å²	56	53.7 Å²	53.7	29%	0.293	31%	0.313	S	S	.	.	H	α-helix	trans	-87.1	-29.1	177.8	-67.2	168.9	0	0	0	113.3	S173 S174 F175 V622 L624	S173-L177 WeakPolarHBondContact O-CG 3.45Å; S173-L177 PolarHBondContact O-N 2.91Å; S173-L177 VanDerWaalsContact O-N 3.07Å; S174-L177 PolarHBondContact O-N 2.85Å; F175-L177 VanDerWaalsContact C-N 3.26Å; F175-L177 PolarHBondContact O-N 2.85Å; L177-V622 HydrophobicContact CD1-CG1 3.75Å; L177-V622 HydrophobicContact CD2-CG1 4.13Å; L177-V622 HydrophobicContact CG-CG1 3.9Å; L177-L624 HydrophobicContact CD1-CD2 3.76Å; L177-L624 HydrophobicContact CD2-CD2 4.4Å
178	N	85.7	Confident	86.2	Confident	106 Å²	106	52 Å²	52	57%	0.567	30%	0.302	S	S	*	.			trans	-142.5	52.3	-172.7	-64.4	-83.2	0	0	0	112.9	S174 F175 D180 G181 F182	S174-N178 PolarHBondContact O-N 3.29Å; F175-N178 CarbonylContact O-C 3.53Å; F175-N178 PolarHBondContact O-N 2.84Å; N178-D180 PolarHBondContact O-N 3.17Å; N178-D180 VanDerWaalsContact O-N 3.14Å; N178-G181 PolarHBondContact O-N 2.74Å; N178-F182 WeakPolarHBondContact O-CD2 3.43Å
179	S	82.3	Confident	86.2	Confident	68 Å²	68	52.4 Å²	52.4	48%	0.476	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.5	-175.3	57.4	0	0	0	0	114	F175 G181 F182	F175-S179 WeakPolarHBondContact O-CA 3.39Å; F175-S179 WeakPolarHBondContact O-CB 3.41Å; F175-S179 PolarHBondContact O-N 2.89Å; S179-G181 PolarHBondContact O-N 2.67Å; S179-G181 VanDerWaalsContact O-N 3.11Å; S179-F182 PolarHBondContact O-N 2.81Å
180	D	78.8	Confident	86.4	Confident	118 Å²	118	53.9 Å²	53.9	63%	0.631	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.2	-15.2	174.8	-99.3	-45	0	0	0	114.8	R81 N178	R81-D180 IonicContact CZ-OD1 2.7Å; R81-D180 IonicContact NH1-OD1 2.69Å; R81-D180 PolarHBondContact NH1-OD1 3.08Å; R81-D180 PolarHBondContact NH2-O 3.15Å; R81-D180 IonicContact NH2-OD1 3.67Å; N178-D180 PolarHBondContact O-N 3.17Å; N178-D180 VanDerWaalsContact O-N 3.14Å
181	G	78.1	Confident	86.5	Confident	60 Å²	60	49.1 Å²	49.1	62%	0.619	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-83.4	-15.2	-179.9	0	0	0	0	0	115.2	N178 S179	N178-G181 PolarHBondContact O-N 2.74Å; S179-G181 PolarHBondContact O-N 2.67Å; S179-G181 VanDerWaalsContact O-N 3.11Å
182	F	82.3	Confident	86.7	Confident	36 Å²	36	55.5 Å²	55.5	16%	0.158	32%	0.315	C	S	.	.			trans	-100.9	147.7	-166.4	-72.1	-99.7	0	0	0	113.8	L84 L171 F175 N178 S179 E186 L187	L84-F182 HydrophobicContact CD1-CB 4.38Å; L171-F182 HydrophobicContact CD1-CE1 3.85Å; L171-F182 HydrophobicContact CD1-CZ 4.39Å; F175-F182 VanDerWaalsContact CA-CE2 3.45Å; F175-F182 HydrophobicContact CB-CD2 4.28Å; F175-F182 HydrophobicContact CB-CE2 4Å; F175-F182 HydrophobicContact CB-CZ 4.12Å; F175-F182 HydrophobicContact CD2-CB 3.92Å; F175-F182 HydrophobicContact CD2-CD1 4.23Å; F175-F182 AromaticContact CD2-CD2 3.71Å; F175-F182 HydrophobicContact CD2-CD2 3.71Å; F175-F182 HydrophobicContact CD2-CE2 4.3Å; F175-F182 AromaticContact CD2-CG 3.68Å; F175-F182 HydrophobicContact CD2-CG 3.68Å; F175-F182 HydrophobicContact CE2-CB 4.14Å; F175-F182 HydrophobicContact CE2-CG 4.4Å; F175-F182 HydrophobicContact CG-CD2 4.42Å; N178-F182 WeakPolarHBondContact O-CD2 3.43Å; S179-F182 PolarHBondContact O-N 2.81Å; F182-E186 WeakPolarHBondContact CA-OE2 3.47Å; F182-E186 HydrophobicContact CD1-CB 4.18Å; F182-L187 HydrophobicContact CD1-CD1 4.4Å; F182-L187 HydrophobicContact CE1-CD1 4.35Å
183	S	78.8	Confident	86.8	Confident	59 Å²	59	60.4 Å²	60.4	41%	0.413	34%	0.336	S	S	.	.			trans	-115.8	170.9	170.7	94.2	0	0	0	0	113.6	G185 E186	S183-G185 PolarHBondContact O-N 2.98Å; S183-E186 WeakPolarHBondContact CB-OE1 3.26Å; S183-E186 PolarHBondContact N-OE2 2.96Å; S183-E186 WeakPolarHBondContact O-CB 3.23Å; S183-E186 PolarHBondContact O-N 3.39Å; S183-E186 VanDerWaalsContact O-N 3.1Å; S183-E186 PolarHBondContact OG-OE1 3.31Å
184	E	67.3	Low	87.1	Confident	151 Å²	151	60.3 Å²	60.3	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	113.8	-175.5	-172.6	168.6	-143.3	0	0	111	K80	K80-E184 IonicContact NZ-OE2 3.84Å; K80-E184 PolarHBondContact NZ-OE2 3.07Å; K80-E184 VanDerWaalsContact NZ-OE2 3.08Å
185	G	69	Low	87.3	Confident	38 Å²	38	58.2 Å²	58.2	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-6.6	-176.8	0	0	0	0	0	116.1	S183 L187	S183-G185 PolarHBondContact O-N 2.98Å; G185-L187 VanDerWaalsContact C-N 3.35Å
186	E	83.1	Confident	87.5	Confident	97 Å²	97	63 Å²	63	45%	0.453	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.1	173.4	-70.5	170	-166.5	0	0	112.8	F182 S183 A188	F182-E186 WeakPolarHBondContact CA-OE2 3.47Å; F182-E186 HydrophobicContact CD1-CB 4.18Å; S183-E186 WeakPolarHBondContact CB-OE1 3.26Å; S183-E186 PolarHBondContact N-OE2 2.96Å; S183-E186 WeakPolarHBondContact O-CB 3.23Å; S183-E186 PolarHBondContact O-N 3.39Å; S183-E186 VanDerWaalsContact O-N 3.1Å; S183-E186 PolarHBondContact OG-OE1 3.31Å; E186-A188 PolarHBondContact O-N 3.46Å
187	L	92.5	Very high	87.9	Confident	9 Å²	9	61.9 Å²	61.9	5%	0.047	34%	0.337	C	S	.	.	S	Bend	trans	-81.5	45	178	-161.6	62.1	0	0	0	112.3	V85 F87 V88 G89 L171 F175 F182 G185	V85-L187 WeakPolarHBondContact O-CD2 3.37Å; F87-L187 WeakPolarHBondContact O-CD2 3.43Å; V88-L187 WeakPolarHBondContact CA-O 3.49Å; V88-L187 HydrophobicContact CG2-CD1 3.9Å; V88-L187 HydrophobicContact CG2-CG 4.11Å; G89-L187 PolarHBondContact N-O 3.48Å; L171-L187 HydrophobicContact CG-CD1 4.28Å; F175-L187 HydrophobicContact CB-CD1 3.52Å; F175-L187 HydrophobicContact CD1-CD2 4.34Å; F175-L187 HydrophobicContact CD2-CD1 3.82Å; F175-L187 HydrophobicContact CD2-CD2 3.87Å; F175-L187 HydrophobicContact CD2-CG 4.42Å; F175-L187 HydrophobicContact CE2-CD2 4.07Å; F175-L187 HydrophobicContact CG-CD1 3.75Å; F175-L187 HydrophobicContact CG-CD2 4.02Å; F175-L187 HydrophobicContact CZ-CD2 4.38Å; F182-L187 HydrophobicContact CD1-CD1 4.4Å; F182-L187 HydrophobicContact CE1-CD1 4.35Å; G185-L187 VanDerWaalsContact C-N 3.35Å
188	A	95.2	Very high	88.3	Confident	12 Å²	12	59.4 Å²	59.4	10%	0.099	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.8	-178.2	0	0	0	0	0	112.6	G89 N91 E186	G89-A188 CarbonylContact O-C 3.52Å; G89-A188 VanDerWaalsContact O-CA 3.25Å; G89-A188 WeakPolarHBondContact O-CA 3.42Å; N91-A188 WeakPolarHBondContact ND2-CB 3.41Å; N91-A188 PolarHBondContact OD1-O 3.25Å; E186-A188 PolarHBondContact O-N 3.46Å
189	T	95.6	Very high	88.7	Confident	12 Å²	12	57.3 Å²	57.3	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.9	179.5	-63.4	0	0	0	0	111.4	G89 L90 N91 L164 P191	G89-T189 PolarHBondContact O-N 2.67Å; L90-T189 VanDerWaalsContact CA-O 3.28Å; L90-T189 WeakPolarHBondContact CA-O 3.34Å; L90-T189 WeakPolarHBondContact CD2-O 3.43Å; N91-T189 PolarHBondContact N-O 3.49Å; N91-T189 VanDerWaalsContact N-O 3.1Å; L164-T189 HydrophobicContact CD1-CG2 3.57Å; T189-P191 WeakPolarHBondContact O-CD 3.47Å
190	P	95.9	Very high	89.3	Confident	50 Å²	50	58.7 Å²	58.7	33%	0.325	31%	0.307	S	S	.	.			trans	-86.3	117	179.4	31.7	-32.7	0	0	0	111.1	N91 L93 R192	N91-P190 HydrophobicContact CB-CB 4.14Å; N91-P190 VanDerWaalsContact OD1-CD 3.3Å; N91-P190 WeakPolarHBondContact OD1-CD 3.35Å; N91-P190 VanDerWaalsContact OD1-N 3.09Å; L93-P190 HydrophobicContact CD2-CB 4.06Å; P190-R192 HydrophobicContact CB-CG 4.19Å; P190-R192 PolarHBondContact O-N 3.18Å
191	P	96.7	Very high	90.1	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.026	28%	0.284	C	S	.	.			trans	-78.2	43.8	-172.7	33.2	-36.8	0	0	0	114.1	L93 N100 L103 L164 T189 K193 I194 L195	L93-P191 HydrophobicContact CD1-CG 4.28Å; N100-P191 WeakPolarHBondContact OD1-CG 3.32Å; L103-P191 HydrophobicContact CD1-CB 3.86Å; L103-P191 HydrophobicContact CD1-CG 4.31Å; L164-P191 HydrophobicContact CD1-CB 4.29Å; L164-P191 HydrophobicContact CD2-CB 4.04Å; T189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-K193 PolarHBondContact O-N 2.96Å; P191-I194 PolarHBondContact O-N 3.18Å; P191-L195 PolarHBondContact O-N 3.49Å
192	R	96.4	Very high	90.9	Very high	172 Å²	172	53.6 Å²	53.6	65%	0.649	27%	0.265	S	S	*	.	H	α-helix	trans	-56.8	-45.3	-170.9	-67.9	176.1	-177.7	-93.2	-1.2	113.4	L93 P190 L195 H196	L93-R192 HydrophobicContact CD1-CB 4.36Å; L93-R192 HydrophobicContact CD1-CG 3.73Å; L93-R192 HydrophobicContact CD2-CG 4.31Å; P190-R192 HydrophobicContact CB-CG 4.19Å; P190-R192 PolarHBondContact O-N 3.18Å; R192-L195 PolarHBondContact O-N 2.84Å; R192-H196 WeakPolarHBondContact O-CB 3.22Å; R192-H196 PolarHBondContact O-N 3.32Å
193	K	96.3	Very high	91.4	Very high	125 Å²	125	55.9 Å²	55.9	54%	0.543	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-51.4	-179.3	-68.1	-172.4	179.9	178.2	0	111.6	S163 P191 L195 H196 T197	S163-K193 PolarHBondContact OG-NZ 2.8Å; P191-K193 PolarHBondContact O-N 2.96Å; K193-L195 PolarHBondContact O-N 3.45Å; K193-H196 WeakPolarHBondContact O-CB 3.35Å; K193-H196 PolarHBondContact O-N 3.1Å; K193-H196 VanDerWaalsContact O-N 3.13Å; K193-T197 PolarHBondContact O-N 2.86Å; K193-T197 PolarHBondContact O-OG1 3.35Å; K193-T197 VanDerWaalsContact O-OG1 3.1Å
194	I	96.6	Very high	92	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-46.2	177.9	-61.7	-178.3	0	0	0	111.2	L103 L157 S160 F161 L164 P191 H196 T197 I198	L103-I194 HydrophobicContact CD1-CD1 4.23Å; L103-I194 HydrophobicContact CD1-CG2 4.31Å; L103-I194 HydrophobicContact CD2-CD1 3.94Å; L103-I194 HydrophobicContact CD2-CG2 4.15Å; L157-I194 HydrophobicContact CD1-CG2 4.3Å; S160-I194 WeakPolarHBondContact O-CG1 3.33Å; F161-I194 HydrophobicContact CD1-CD1 3.74Å; F161-I194 HydrophobicContact CD2-CD1 4.44Å; F161-I194 HydrophobicContact CE1-CD1 3.96Å; F161-I194 HydrophobicContact CG-CD1 4Å; F161-I194 HydrophobicContact CZ-CD1 4.37Å; L164-I194 HydrophobicContact CB-CD1 3.83Å; L164-I194 HydrophobicContact CB-CG1 4.5Å; L164-I194 HydrophobicContact CD2-CD1 3.46Å; L164-I194 VanDerWaalsContact CD2-CD1 3.46Å; L164-I194 HydrophobicContact CG-CD1 4.28Å; P191-I194 PolarHBondContact O-N 3.18Å; I194-H196 VanDerWaalsContact C-N 3.26Å; I194-H196 PolarHBondContact O-N 2.73Å; I194-T197 PolarHBondContact O-N 3.36Å; I194-I198 HydrophobicContact CG2-CD1 3.55Å; I194-I198 HydrophobicContact CG2-CG1 4.12Å; I194-I198 WeakPolarHBondContact O-CB 3.36Å; I194-I198 WeakPolarHBondContact O-CG1 3.21Å; I194-I198 PolarHBondContact O-N 2.91Å
195	L	95.9	Very high	93.2	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-33.7	178.4	179.3	62.8	0	0	0	112.5	L93 T96 L99 P191 R192 K193 R199	L93-L195 HydrophobicContact CB-CD2 3.75Å; L93-L195 HydrophobicContact CD1-CD2 3.7Å; L93-L195 HydrophobicContact CG-CD2 4.36Å; T96-L195 HydrophobicContact CG2-CD1 4.16Å; T96-L195 HydrophobicContact CG2-CD2 3.96Å; L99-L195 HydrophobicContact CD2-CB 4.13Å; L99-L195 HydrophobicContact CD2-CD1 3.81Å; P191-L195 PolarHBondContact O-N 3.49Å; R192-L195 PolarHBondContact O-N 2.84Å; K193-L195 PolarHBondContact O-N 3.45Å; L195-R199 WeakPolarHBondContact O-CD 3.36Å; L195-R199 VanDerWaalsContact O-CG 3.29Å; L195-R199 WeakPolarHBondContact O-CG 3.49Å; L195-R199 PolarHBondContact O-N 3.07Å
196	H	95.3	Very high	94.2	Very high	114 Å²	114	54.8 Å²	54.8	53%	0.528	26%	0.263	S	S	.	.	H	α-helix	trans	-70	-51.1	173.9	-171.2	77.4	0	0	0	111.4	R192 K193 I194 I198 R199 Q200	R192-H196 WeakPolarHBondContact O-CB 3.22Å; R192-H196 PolarHBondContact O-N 3.32Å; K193-H196 WeakPolarHBondContact O-CB 3.35Å; K193-H196 PolarHBondContact O-N 3.1Å; K193-H196 VanDerWaalsContact O-N 3.13Å; I194-H196 VanDerWaalsContact C-N 3.26Å; I194-H196 PolarHBondContact O-N 2.73Å; H196-I198 VanDerWaalsContact C-N 3.34Å; H196-I198 PolarHBondContact O-N 3.04Å; H196-R199 WeakPolarHBondContact O-CB 3.26Å; H196-R199 PolarHBondContact O-N 2.66Å; H196-Q200 PolarHBondContact CD2-OE1 2.82Å; H196-Q200 PolarHBondContact O-N 2.87Å
197	T	96.4	Very high	94.3	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-39.2	179.5	-45	0	0	0	0	112.7	A153 E156 L157 S160 K193 I194 R199 Q200 L201	A153-T197 VanDerWaalsContact O-CG2 3.23Å; A153-T197 WeakPolarHBondContact O-CG2 3.4Å; E156-T197 HydrophobicContact CB-CG2 4.04Å; L157-T197 HydrophobicContact CB-CG2 3.98Å; L157-T197 HydrophobicContact CD1-CG2 4.36Å; S160-T197 PolarHBondContact OG-OG1 3.42Å; K193-T197 PolarHBondContact O-N 2.86Å; K193-T197 PolarHBondContact O-OG1 3.35Å; K193-T197 VanDerWaalsContact O-OG1 3.1Å; I194-T197 PolarHBondContact O-N 3.36Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 2.9Å; T197-Q200 VanDerWaalsContact CA-OE1 3.29Å; T197-Q200 PolarHBondContact O-N 3.1Å; T197-L201 HydrophobicContact CG2-CD1 4.05Å; T197-L201 HydrophobicContact CG2-CG 4.48Å; T197-L201 WeakPolarHBondContact O-CB 3.37Å; T197-L201 WeakPolarHBondContact O-CG 3.49Å; T197-L201 PolarHBondContact O-N 2.9Å
198	I	96.1	Very high	94.1	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-36.6	174.8	-71	175.8	0	0	0	111.6	L99 L157 I194 H196 N202 Y205 I220	L99-I198 HydrophobicContact CD1-CD1 3.71Å; L99-I198 HydrophobicContact CD2-CD1 4.43Å; L157-I198 HydrophobicContact CD1-CG1 4.02Å; I194-I198 HydrophobicContact CG2-CD1 3.55Å; I194-I198 HydrophobicContact CG2-CG1 4.12Å; I194-I198 WeakPolarHBondContact O-CB 3.36Å; I194-I198 WeakPolarHBondContact O-CG1 3.21Å; I194-I198 PolarHBondContact O-N 2.91Å; H196-I198 VanDerWaalsContact C-N 3.34Å; H196-I198 PolarHBondContact O-N 3.04Å; I198-N202 PolarHBondContact O-N 2.89Å; I198-Y205 HydrophobicContact CG2-CD2 3.55Å; I198-Y205 HydrophobicContact CG2-CE2 4.17Å; I198-Y205 HydrophobicContact CG2-CG 3.97Å; I198-I220 HydrophobicContact CD1-CD1 3.89Å; I198-I220 HydrophobicContact CD1-CG1 3.81Å
199	R	95	Very high	93.8	Very high	62 Å²	62	64.9 Å²	64.9	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-71.4	-37.5	175.9	-76.3	172.3	172.9	155.3	-2	113.1	L195 H196 T197 N202 Y205 G207	L195-R199 WeakPolarHBondContact O-CD 3.36Å; L195-R199 VanDerWaalsContact O-CG 3.29Å; L195-R199 WeakPolarHBondContact O-CG 3.49Å; L195-R199 PolarHBondContact O-N 3.07Å; H196-R199 WeakPolarHBondContact O-CB 3.26Å; H196-R199 PolarHBondContact O-N 2.66Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 2.9Å; R199-N202 CarbonylContact O-C 3.54Å; R199-Y205 VanDerWaalsContact CG-O 3.31Å; R199-Y205 WeakPolarHBondContact CG-O 3.33Å; R199-Y205 PolarHBondContact NE-O 3.38Å; R199-G207 PolarHBondContact NH2-O 3.05Å
200	Q	94.1	Very high	93.5	Very high	96 Å²	96	65.7 Å²	65.7	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-45.8	173.6	-68.1	167.5	-69.5	0	0	111.1	H196 T197	H196-Q200 PolarHBondContact CD2-OE1 2.82Å; H196-Q200 PolarHBondContact O-N 2.87Å; T197-Q200 VanDerWaalsContact CA-OE1 3.29Å; T197-Q200 PolarHBondContact O-N 3.1Å
201	L	95.1	Very high	93.4	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-43.5	178	-79.1	168.4	0	0	0	112.7	A153 H154 L157 T197 Y223	A153-L201 HydrophobicContact CB-CD2 3.65Å; A153-L201 HydrophobicContact CB-CG 3.88Å; H154-L201 HydrophobicContact CB-CD2 4.29Å; L157-L201 HydrophobicContact CB-CD1 4.12Å; L157-L201 HydrophobicContact CD2-CD1 3.96Å; L157-L201 HydrophobicContact CG-CD1 4.46Å; T197-L201 HydrophobicContact CG2-CD1 4.05Å; T197-L201 HydrophobicContact CG2-CG 4.48Å; T197-L201 WeakPolarHBondContact O-CB 3.37Å; T197-L201 WeakPolarHBondContact O-CG 3.49Å; T197-L201 PolarHBondContact O-N 2.9Å; L201-Y223 HydrophobicContact CB-CD2 4.17Å; L201-Y223 HydrophobicContact CB-CE1 4.24Å; L201-Y223 HydrophobicContact CB-CE2 3.75Å; L201-Y223 HydrophobicContact CD1-CD1 4.28Å; L201-Y223 HydrophobicContact CD1-CD2 3.88Å; L201-Y223 HydrophobicContact CD1-CE2 4.34Å; L201-Y223 HydrophobicContact CD1-CG 3.86Å; L201-Y223 HydrophobicContact CD2-CD1 3.87Å; L201-Y223 HydrophobicContact CD2-CE1 3.87Å; L201-Y223 HydrophobicContact CD2-CG 4.3Å; L201-Y223 HydrophobicContact CG-CD2 4.49Å; L201-Y223 HydrophobicContact CG-CE2 4.49Å; L201-Y223 HydrophobicContact CG-CG 4.5Å; L201-Y223 PolarHBondContact O-OH 3.39Å; L201-Y223 VanDerWaalsContact O-OH 3.06Å
202	N	94.7	Very high	93.3	Very high	39 Å²	39	64.9 Å²	64.9	21%	0.209	31%	0.308	C	S	.	.			trans	-139.4	97.4	-177.9	-169.5	-12.5	0	0	0	111.5	I198 R199 M204 Y205 Y223	I198-N202 PolarHBondContact O-N 2.89Å; R199-N202 CarbonylContact O-C 3.54Å; N202-M204 PolarHBondContact ND2-SD 2.92Å; N202-M204 PolarHBondContact O-N 3.01Å; N202-M204 WeakPolarHBondContact OD1-CB 3.47Å; N202-M204 WeakPolarHBondContact OD1-CG 3.36Å; N202-M204 PolarHBondContact OD1-N 2.8Å; N202-Y205 HydrophobicContact CB-CD2 3.98Å; N202-Y205 HydrophobicContact CB-CE2 4.03Å; N202-Y205 WeakPolarHBondContact O-CD2 3.37Å; N202-Y205 PolarHBondContact O-N 3Å; N202-Y223 HydrophobicContact CB-CE2 4.24Å
203	P	93	Very high	93.3	Very high	84 Å²	84	56.7 Å²	56.7	55%	0.545	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.7	-6.5	179.3	-28.2	36.5	0	0	0	115.9	Y205 E206	P203-Y205 PolarHBondContact O-N 3.1Å; P203-E206 VanDerWaalsContact O-CB 3.27Å; P203-E206 WeakPolarHBondContact O-CB 3.47Å; P203-E206 PolarHBondContact O-N 2.79Å; P203-E206 VanDerWaalsContact O-N 3.13Å
204	M	92.6	Very high	93.4	Very high	86 Å²	86	51.9 Å²	51.9	42%	0.424	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61.5	-24.2	172.2	80.5	-170.5	-89.4	0	0	112.8	N202 E206 H211	N202-M204 PolarHBondContact ND2-SD 2.92Å; N202-M204 PolarHBondContact O-N 3.01Å; N202-M204 WeakPolarHBondContact OD1-CB 3.47Å; N202-M204 WeakPolarHBondContact OD1-CG 3.36Å; N202-M204 PolarHBondContact OD1-N 2.8Å; M204-E206 VanDerWaalsContact C-N 3.35Å; M204-H211 PolarHBondContact O-CE1 3.13Å
205	Y	92.5	Very high	93.3	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.012	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-90.4	7.2	177.7	-56	-69.7	0	0	0	113.9	Y98 I198 R199 N202 P203 H211 V216 C219	Y98-Y205 HydrophobicContact CE2-CD1 4.31Å; I198-Y205 HydrophobicContact CG2-CD2 3.55Å; I198-Y205 HydrophobicContact CG2-CE2 4.17Å; I198-Y205 HydrophobicContact CG2-CG 3.97Å; R199-Y205 VanDerWaalsContact CG-O 3.31Å; R199-Y205 WeakPolarHBondContact CG-O 3.33Å; R199-Y205 PolarHBondContact NE-O 3.38Å; N202-Y205 HydrophobicContact CB-CD2 3.98Å; N202-Y205 HydrophobicContact CB-CE2 4.03Å; N202-Y205 WeakPolarHBondContact O-CD2 3.37Å; N202-Y205 PolarHBondContact O-N 3Å; P203-Y205 PolarHBondContact O-N 3.1Å; Y205-H211 HydrophobicContact CD1-CB 4.13Å; Y205-H211 AromaticContact CD1-CD2 3.81Å; Y205-H211 AromaticContact CD1-CG 3.58Å; Y205-H211 AromaticContact CD1-ND1 3.7Å; Y205-H211 HydrophobicContact CE1-CB 3.87Å; Y205-H211 AromaticContact CE1-CG 3.72Å; Y205-H211 AromaticContact CE1-ND1 3.77Å; Y205-V216 HydrophobicContact CD1-CG2 4.25Å; Y205-V216 HydrophobicContact CE1-CG2 3.4Å; Y205-C219 HydrophobicContact CE2-CB 4.34Å; Y205-C219 VanDerWaalsContact CE2-SG 3.54Å
206	E	88.4	Confident	93.4	Very high	137 Å²	137	55.9 Å²	55.9	64%	0.64	28%	0.275	S	S	*	.			trans	-69.4	149.4	177.4	-166.5	177	-171.3	0	0	111.8	P203 M204	P203-E206 VanDerWaalsContact O-CB 3.27Å; P203-E206 WeakPolarHBondContact O-CB 3.47Å; P203-E206 PolarHBondContact O-N 2.79Å; P203-E206 VanDerWaalsContact O-N 3.13Å; M204-E206 VanDerWaalsContact C-N 3.35Å
207	G	87.1	Confident	93.5	Very high	32 Å²	32	50.6 Å²	50.6	33%	0.33	25%	0.251	S	S	.	.	S	Bend	trans	75.3	-150	-177.2	0	0	0	0	0	113.3	R199	R199-G207 PolarHBondContact NH2-O 3.05Å
208	Y	86.3	Confident	93.6	Very high	179 Å²	179	54 Å²	54	70%	0.702	27%	0.266	S	S	*	.	S	Bend	trans	-123.3	33.5	-164.3	-57	-81.7	0	0	0	113.3	N95	N95-Y208 WeakPolarHBondContact CB-O 3.48Å; N95-Y208 PolarHBondContact ND2-O 2.98Å
209	L	89.6	Confident	93.6	Very high	118 Å²	118	54.7 Å²	54.7	62%	0.618	27%	0.271	S	S	*	.			trans	-83.9	155.9	174.9	-61.3	179.6	0	0	0	111.3	H211	L209-H211 PolarHBondContact O-CD2 3.46Å
210	Q	90.3	Very high	93.8	Very high	30 Å²	30	51.8 Å²	51.8	14%	0.14	26%	0.26	C	S	.	.			trans	-87.2	146	164.3	-65.9	-172.2	-9.4	0	0	109.4	N95 G606	N95-Q210 HydrophobicContact CB-CG 3.71Å; N95-Q210 PolarHBondContact OD1-NE2 3.33Å; Q210-G606 PolarHBondContact NE2-O 3.41Å; Q210-G606 PolarHBondContact OE1-O 3.36Å
211	H	93.4	Very high	93.9	Very high	20 Å²	20	47.2 Å²	47.2	9%	0.093	24%	0.239	C	C	.	.			trans	-127	164.3	-177.8	-66.1	-91.2	0	0	0	111.4	Y98 M204 Y205 L209 A213 V216 Y608	Y98-H211 VanDerWaalsContact CB-O 3.29Å; Y98-H211 WeakPolarHBondContact CB-O 3.17Å; Y98-H211 HydrophobicContact CD1-CB 4.19Å; Y98-H211 VanDerWaalsContact CD1-N 3.35Å; Y98-H211 HydrophobicContact CD2-CB 4.04Å; Y98-H211 HydrophobicContact CE1-CB 4.06Å; Y98-H211 AromaticContact CE1-CD2 3.66Å; Y98-H211 HydrophobicContact CE2-CB 3.93Å; Y98-H211 HydrophobicContact CG-CB 4.18Å; Y98-H211 AromaticContact CZ-CD2 3.55Å; Y98-H211 PolarHBondContact OH-CD2 2.95Å; M204-H211 PolarHBondContact O-CE1 3.13Å; Y205-H211 HydrophobicContact CD1-CB 4.13Å; Y205-H211 AromaticContact CD1-CD2 3.81Å; Y205-H211 AromaticContact CD1-CG 3.58Å; Y205-H211 AromaticContact CD1-ND1 3.7Å; Y205-H211 HydrophobicContact CE1-CB 3.87Å; Y205-H211 AromaticContact CE1-CG 3.72Å; Y205-H211 AromaticContact CE1-ND1 3.77Å; L209-H211 PolarHBondContact O-CD2 3.46Å; H211-A213 PolarHBondContact O-N 3.3Å; H211-V216 HydrophobicContact CB-CG2 3.98Å; H211-Y608 WeakPolarHBondContact O-CE2 3.46Å
212	D	95	Very high	94	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.091	25%	0.247	C	C	.	.			trans	-68.5	123.3	173.4	-175.7	-14.8	0	0	0	110.5	Q214 E215 V216 I603 Y794	D212-Q214 PolarHBondContact O-N 3.07Å; D212-Q214 VanDerWaalsContact OD1-CB 3.3Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.33Å; D212-Q214 PolarHBondContact OD1-N 3.18Å; D212-E215 HydrophobicContact CB-CB 4.1Å; D212-E215 HydrophobicContact CB-CG 3.87Å; D212-E215 PolarHBondContact O-N 3.07Å; D212-V216 WeakPolarHBondContact O-CG2 3.16Å; D212-V216 PolarHBondContact O-N 3.16Å; D212-I603 HydrophobicContact CB-CD1 3.74Å; D212-I603 HydrophobicContact CB-CG1 4.09Å; D212-I603 VanDerWaalsContact CG-CD1 3.46Å; D212-I603 VanDerWaalsContact OD2-CD1 3.24Å; D212-I603 WeakPolarHBondContact OD2-CD1 3.49Å; D212-Y794 WeakPolarHBondContact OD1-CE1 2.96Å; D212-Y794 PolarHBondContact OD1-OH 3.3Å; D212-Y794 PolarHBondContact OD2-OH 2.84Å
213	A	96.7	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-27	176	0	0	0	0	0	113.2	I102 H211 L217 Y608 Y794 L795	I102-A213 HydrophobicContact CD1-CB 4.15Å; I102-A213 WeakPolarHBondContact CD1-O 3.42Å; I102-A213 HydrophobicContact CG1-CB 4.07Å; H211-A213 PolarHBondContact O-N 3.3Å; A213-L217 WeakPolarHBondContact O-CB 3.28Å; A213-L217 PolarHBondContact O-N 2.7Å; A213-Y608 HydrophobicContact CB-CD1 3.92Å; A213-Y608 HydrophobicContact CB-CE1 3.64Å; A213-Y794 HydrophobicContact CB-CD1 4.5Å; A213-Y794 HydrophobicContact CB-CE1 4.43Å; A213-L795 HydrophobicContact CB-CD1 4.28Å
214	Q	96.8	Very high	94.3	Very high	23 Å²	23	43.5 Å²	43.5	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-51.2	172.2	-165.9	-154.3	9.7	0	0	110.9	D212 V216 L217 Q218 D467 S469 H543 L795	D212-Q214 PolarHBondContact O-N 3.07Å; D212-Q214 VanDerWaalsContact OD1-CB 3.3Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.33Å; D212-Q214 PolarHBondContact OD1-N 3.18Å; Q214-V216 VanDerWaalsContact C-N 3.25Å; Q214-V216 PolarHBondContact O-N 3.24Å; Q214-L217 PolarHBondContact O-N 3.06Å; Q214-Q218 WeakPolarHBondContact O-CG 3.39Å; Q214-Q218 PolarHBondContact O-N 3.14Å; Q214-D467 PolarHBondContact NE2-OD2 2.97Å; Q214-S469 PolarHBondContact NE2-OG 3.39Å; Q214-H543 HydrophobicContact CG-CB 4.28Å; Q214-H543 PolarHBondContact NE2-ND1 3.3Å; Q214-H543 VanDerWaalsContact NE2-ND1 3.12Å; Q214-H543 PolarHBondContact OE1-CE1 3.35Å; Q214-H543 PolarHBondContact OE1-ND1 2.88Å; Q214-L795 HydrophobicContact CB-CD2 4.1Å; Q214-L795 HydrophobicContact CG-CD2 4.25Å
215	E	96	Very high	94.5	Very high	90 Å²	90	40.7 Å²	40.7	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-38.5	179.3	-66.2	-171.8	144.1	0	0	111	D212 Q218 C219	D212-E215 HydrophobicContact CB-CB 4.1Å; D212-E215 HydrophobicContact CB-CG 3.87Å; D212-E215 PolarHBondContact O-N 3.07Å; E215-Q218 PolarHBondContact O-N 2.73Å; E215-C219 WeakPolarHBondContact O-CB 3.39Å; E215-C219 PolarHBondContact O-N 3.45Å
216	V	97.1	Very high	94.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-40.2	178.9	173.3	0	0	0	0	111.6	Y98 L99 Y205 H211 D212 Q214 C219 I220	Y98-V216 HydrophobicContact CD2-CB 4.16Å; Y98-V216 HydrophobicContact CD2-CG1 4.05Å; Y98-V216 HydrophobicContact CD2-CG2 3.41Å; Y98-V216 VanDerWaalsContact CD2-CG2 3.41Å; Y98-V216 HydrophobicContact CE2-CB 4.48Å; Y98-V216 HydrophobicContact CE2-CG1 4.2Å; Y98-V216 HydrophobicContact CE2-CG2 3.54Å; L99-V216 HydrophobicContact CD1-CG1 3.91Å; Y205-V216 HydrophobicContact CD1-CG2 4.25Å; Y205-V216 HydrophobicContact CE1-CG2 3.4Å; H211-V216 HydrophobicContact CB-CG2 3.98Å; D212-V216 WeakPolarHBondContact O-CG2 3.16Å; D212-V216 PolarHBondContact O-N 3.16Å; Q214-V216 VanDerWaalsContact C-N 3.25Å; Q214-V216 PolarHBondContact O-N 3.24Å; V216-C219 WeakPolarHBondContact O-CB 3.3Å; V216-I220 HydrophobicContact CG1-CD1 4.03Å; V216-I220 VanDerWaalsContact O-CG1 3.31Å; V216-I220 WeakPolarHBondContact O-CG1 3.44Å; V216-I220 PolarHBondContact O-N 3.47Å
217	L	98.2	Very high	95	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-51.9	172.2	177.5	67.4	0	0	0	111.4	I102 L106 A213 Q214 C219 I220 L221 T541 L795 F797	I102-L217 HydrophobicContact CD1-CB 4.01Å; I102-L217 HydrophobicContact CG1-CB 4.46Å; I102-L217 HydrophobicContact CG2-CB 4.24Å; I102-L217 HydrophobicContact CG2-CD1 3.96Å; L106-L217 HydrophobicContact CD1-CD1 4.39Å; L106-L217 HydrophobicContact CD2-CD1 4.06Å; L106-L217 HydrophobicContact CG-CD1 4.39Å; A213-L217 WeakPolarHBondContact O-CB 3.28Å; A213-L217 PolarHBondContact O-N 2.7Å; Q214-L217 PolarHBondContact O-N 3.06Å; L217-C219 VanDerWaalsContact C-N 3.27Å; L217-C219 PolarHBondContact O-N 3.43Å; L217-I220 PolarHBondContact O-N 3.41Å; L217-L221 HydrophobicContact CD1-CD1 3.95Å; L217-L221 HydrophobicContact CD1-CG 4.06Å; L217-L221 HydrophobicContact CG-CD1 4.01Å; L217-L221 HydrophobicContact CG-CG 4.39Å; L217-L221 WeakPolarHBondContact O-CG 3.25Å; L217-L221 PolarHBondContact O-N 2.85Å; L217-T541 HydrophobicContact CD2-CG2 3.79Å; L217-L795 HydrophobicContact CD2-CD1 4.48Å; L217-F797 HydrophobicContact CD2-CE1 3.75Å; L217-F797 HydrophobicContact CD2-CZ 3.89Å
218	Q	97.2	Very high	95.3	Very high	77 Å²	77	36.7 Å²	36.7	36%	0.36	18%	0.178	S	C	.	.	H	α-helix	trans	-59.3	-39.7	178.8	-72.2	178.4	-8.2	0	0	111.7	Q214 E215 G222 D467	Q214-Q218 WeakPolarHBondContact O-CG 3.39Å; Q214-Q218 PolarHBondContact O-N 3.14Å; E215-Q218 PolarHBondContact O-N 2.73Å; Q218-G222 PolarHBondContact O-N 2.76Å; Q218-D467 PolarHBondContact NE2-OD1 3.46Å
219	C	97.6	Very high	95.7	Very high	17 Å²	17	31.4 Å²	31.4	12%	0.115	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-50.4	174.4	177.2	0	0	0	0	111.9	Y205 E215 V216 L217 G222 Y223	Y205-C219 HydrophobicContact CE2-CB 4.34Å; Y205-C219 VanDerWaalsContact CE2-SG 3.54Å; E215-C219 WeakPolarHBondContact O-CB 3.39Å; E215-C219 PolarHBondContact O-N 3.45Å; V216-C219 WeakPolarHBondContact O-CB 3.3Å; L217-C219 VanDerWaalsContact C-N 3.27Å; L217-C219 PolarHBondContact O-N 3.43Å; C219-G222 PolarHBondContact O-N 2.8Å; C219-Y223 WeakPolarHBondContact O-CD2 3.45Å; C219-Y223 PolarHBondContact O-N 3.04Å; C219-Y223 VanDerWaalsContact O-N 3.09Å; C219-Y223 VanDerWaalsContact SG-CE2 3.52Å
220	I	98.1	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-48.9	178.1	-73	167.1	0	0	0	111.5	L99 I102 L103 L106 F161 I198 V216 L217 G222 Y223 I224	L99-I220 HydrophobicContact CD1-CD1 3.85Å; I102-I220 HydrophobicContact CG2-CD1 4.05Å; L103-I220 HydrophobicContact CD2-CD1 4.42Å; L106-I220 HydrophobicContact CD1-CG2 3.74Å; F161-I220 HydrophobicContact CE2-CG2 3.85Å; F161-I220 HydrophobicContact CZ-CG2 3.65Å; I198-I220 HydrophobicContact CD1-CD1 3.89Å; I198-I220 HydrophobicContact CD1-CG1 3.81Å; V216-I220 HydrophobicContact CG1-CD1 4.03Å; V216-I220 VanDerWaalsContact O-CG1 3.31Å; V216-I220 WeakPolarHBondContact O-CG1 3.44Å; V216-I220 PolarHBondContact O-N 3.47Å; L217-I220 PolarHBondContact O-N 3.41Å; I220-G222 VanDerWaalsContact C-N 3.31Å; I220-G222 PolarHBondContact O-N 2.71Å; I220-Y223 PolarHBondContact O-N 3.03Å; I220-I224 HydrophobicContact CG2-CD1 3.81Å; I220-I224 WeakPolarHBondContact O-CG1 3.34Å; I220-I224 PolarHBondContact O-N 3.3Å
221	L	97.2	Very high	96	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-35.5	-179.8	-63.2	-178.4	0	0	0	111.8	L106 F112 L217 I224 Q225 M438 F442	L106-L221 HydrophobicContact CD2-CD2 4.24Å; F112-L221 HydrophobicContact CE2-CD2 4.42Å; L217-L221 HydrophobicContact CD1-CD1 3.95Å; L217-L221 HydrophobicContact CD1-CG 4.06Å; L217-L221 HydrophobicContact CG-CD1 4.01Å; L217-L221 HydrophobicContact CG-CG 4.39Å; L217-L221 WeakPolarHBondContact O-CG 3.25Å; L217-L221 PolarHBondContact O-N 2.85Å; L221-I224 PolarHBondContact O-N 3.39Å; L221-Q225 PolarHBondContact O-N 3.04Å; L221-M438 HydrophobicContact CB-SD 4.37Å; L221-M438 HydrophobicContact CD2-SD 3.69Å; L221-F442 HydrophobicContact CD1-CB 4.27Å; L221-F442 HydrophobicContact CD1-CD1 4.3Å; L221-F442 HydrophobicContact CD1-CD2 4.01Å; L221-F442 HydrophobicContact CD1-CE2 4.4Å; L221-F442 HydrophobicContact CD1-CG 3.94Å; L221-F442 HydrophobicContact CD2-CD2 3.63Å; L221-F442 HydrophobicContact CD2-CE2 3.46Å; L221-F442 VanDerWaalsContact CD2-CE2 3.46Å; L221-F442 HydrophobicContact CD2-CG 4.38Å; L221-F442 HydrophobicContact CD2-CZ 4.1Å; L221-F442 HydrophobicContact CG-CD2 4.45Å
222	G	96.8	Very high	95.8	Very high	32 Å²	32	28 Å²	28	33%	0.33	14%	0.142	S	C	.	.	H	α-helix	trans	-60.8	-48.8	173.8	0	0	0	0	0	112.9	Q218 C219 I220 Q225 E226	Q218-G222 PolarHBondContact O-N 2.76Å; C219-G222 PolarHBondContact O-N 2.8Å; I220-G222 VanDerWaalsContact C-N 3.31Å; I220-G222 PolarHBondContact O-N 2.71Å; G222-Q225 WeakPolarHBondContact O-CB 3.21Å; G222-Q225 PolarHBondContact O-N 2.65Å; G222-E226 PolarHBondContact O-N 3.32Å
223	Y	97.7	Very high	95.7	Very high	44 Å²	44	34 Å²	34	17%	0.173	17%	0.167	C	C	.	.	H	α-helix	trans	-70.8	-29.4	177.9	-69.2	-55.9	0	0	0	113.5	L201 N202 C219 I220 E226 A227	L201-Y223 HydrophobicContact CB-CD2 4.17Å; L201-Y223 HydrophobicContact CB-CE1 4.24Å; L201-Y223 HydrophobicContact CB-CE2 3.75Å; L201-Y223 HydrophobicContact CD1-CD1 4.28Å; L201-Y223 HydrophobicContact CD1-CD2 3.88Å; L201-Y223 HydrophobicContact CD1-CE2 4.34Å; L201-Y223 HydrophobicContact CD1-CG 3.86Å; L201-Y223 HydrophobicContact CD2-CD1 3.87Å; L201-Y223 HydrophobicContact CD2-CE1 3.87Å; L201-Y223 HydrophobicContact CD2-CG 4.3Å; L201-Y223 HydrophobicContact CG-CD2 4.49Å; L201-Y223 HydrophobicContact CG-CE2 4.49Å; L201-Y223 HydrophobicContact CG-CG 4.5Å; L201-Y223 PolarHBondContact O-OH 3.39Å; L201-Y223 VanDerWaalsContact O-OH 3.06Å; N202-Y223 HydrophobicContact CB-CE2 4.24Å; C219-Y223 WeakPolarHBondContact O-CD2 3.45Å; C219-Y223 PolarHBondContact O-N 3.04Å; C219-Y223 VanDerWaalsContact O-N 3.09Å; C219-Y223 VanDerWaalsContact SG-CE2 3.52Å; I220-Y223 PolarHBondContact O-N 3.03Å; Y223-E226 WeakPolarHBondContact CD1-OE2 3.43Å; Y223-E226 PolarHBondContact O-N 3.25Å; Y223-A227 WeakPolarHBondContact O-CB 3.47Å; Y223-A227 PolarHBondContact O-N 3.48Å
224	I	96.9	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-36.3	171.5	-65.6	169.6	0	0	0	110.9	F112 L119 L157 L158 F161 I220 L221 A227 C228 M438	F112-I224 HydrophobicContact CE2-CD1 3.87Å; F112-I224 HydrophobicContact CZ-CD1 3.66Å; L119-I224 HydrophobicContact CD1-CG2 4.38Å; L157-I224 HydrophobicContact CD2-CG1 4.44Å; L158-I224 HydrophobicContact CD2-CG1 4.29Å; L158-I224 HydrophobicContact CD2-CG2 4.24Å; F161-I224 HydrophobicContact CD2-CD1 4.39Å; F161-I224 HydrophobicContact CE2-CD1 4Å; I220-I224 HydrophobicContact CG2-CD1 3.81Å; I220-I224 WeakPolarHBondContact O-CG1 3.34Å; I220-I224 PolarHBondContact O-N 3.3Å; L221-I224 PolarHBondContact O-N 3.39Å; I224-A227 PolarHBondContact O-N 3.31Å; I224-C228 PolarHBondContact O-N 3.15Å; I224-C228 PolarHBondContact O-SG 3.18Å; I224-M438 HydrophobicContact CB-CG 4.36Å; I224-M438 HydrophobicContact CB-SD 4.02Å; I224-M438 HydrophobicContact CG2-CE 3.8Å; I224-M438 HydrophobicContact CG2-CG 3.87Å; I224-M438 HydrophobicContact CG2-SD 3.68Å
225	Q	95.8	Very high	94.8	Very high	28 Å²	28	36.4 Å²	36.4	13%	0.131	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-45.1	170.4	-179.6	69	58.5	0	0	111.4	L221 G222 A227 C228 D229 M438 E439	L221-Q225 PolarHBondContact O-N 3.04Å; G222-Q225 WeakPolarHBondContact O-CB 3.21Å; G222-Q225 PolarHBondContact O-N 2.65Å; Q225-A227 VanDerWaalsContact C-N 3.29Å; Q225-A227 PolarHBondContact O-N 2.85Å; Q225-C228 WeakPolarHBondContact O-CA 3.46Å; Q225-C228 WeakPolarHBondContact O-CB 3.27Å; Q225-C228 PolarHBondContact O-N 3.37Å; Q225-D229 PolarHBondContact NE2-OD2 2.89Å; Q225-D229 PolarHBondContact O-N 3.43Å; Q225-M438 HydrophobicContact CB-CB 4.5Å; Q225-M438 HydrophobicContact CB-CG 4.27Å; Q225-E439 PolarHBondContact NE2-OE1 3.48Å
226	E	95.8	Very high	94.4	Very high	88 Å²	88	36.4 Å²	36.4	41%	0.411	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-42.8	175.8	-166.9	-178.5	141.5	0	0	111.3	H154 G222 Y223 D229 T230	H154-E226 HydrophobicContact CB-CB 4.49Å; H154-E226 IonicContact CE1-OE1 3.22Å; H154-E226 PolarHBondContact CE1-OE1 2.89Å; H154-E226 VanDerWaalsContact CE1-OE1 3.29Å; H154-E226 IonicContact CG-OE1 3.28Å; H154-E226 IonicContact ND1-OE1 2.71Å; H154-E226 PolarHBondContact ND1-OE1 3.38Å; G222-E226 PolarHBondContact O-N 3.32Å; Y223-E226 WeakPolarHBondContact CD1-OE2 3.43Å; Y223-E226 PolarHBondContact O-N 3.25Å; E226-D229 PolarHBondContact O-N 3.01Å; E226-T230 PolarHBondContact O-N 2.78Å; E226-T230 PolarHBondContact O-OG1 2.97Å
227	A	95.5	Very high	93.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-41	172.9	0	0	0	0	0	113.2	H154 I155 L158 Y223 I224 Q225 D229 T230 I231	H154-A227 HydrophobicContact CB-CB 4.34Å; H154-A227 WeakPolarHBondContact O-CB 3.21Å; I155-A227 HydrophobicContact CD1-CB 4.03Å; L158-A227 HydrophobicContact CD1-CB 3.86Å; L158-A227 HydrophobicContact CD2-CB 4.3Å; L158-A227 HydrophobicContact CG-CB 4.06Å; Y223-A227 WeakPolarHBondContact O-CB 3.47Å; Y223-A227 PolarHBondContact O-N 3.48Å; I224-A227 PolarHBondContact O-N 3.31Å; Q225-A227 VanDerWaalsContact C-N 3.29Å; Q225-A227 PolarHBondContact O-N 2.85Å; A227-D229 VanDerWaalsContact C-N 3.33Å; A227-D229 PolarHBondContact O-N 3.03Å; A227-T230 PolarHBondContact O-N 2.85Å; A227-I231 WeakPolarHBondContact O-CD1 3.31Å; A227-I231 VanDerWaalsContact O-CG1 3.24Å; A227-I231 WeakPolarHBondContact O-CG1 3.41Å; A227-I231 PolarHBondContact O-N 3.07Å
228	C	94.6	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-42.3	174	-66.5	0	0	0	0	111.6	L119 I224 Q225 R232	L119-C228 VanDerWaalsContact CD1-SG 3.55Å; I224-C228 PolarHBondContact O-N 3.15Å; I224-C228 PolarHBondContact O-SG 3.18Å; Q225-C228 WeakPolarHBondContact O-CA 3.46Å; Q225-C228 WeakPolarHBondContact O-CB 3.27Å; Q225-C228 PolarHBondContact O-N 3.37Å; C228-R232 WeakPolarHBondContact O-CB 3.4Å; C228-R232 PolarHBondContact O-N 3.27Å
229	D	93.4	Very high	92.7	Very high	67 Å²	67	45 Å²	45	36%	0.358	22%	0.216	S	C	.	.	H	α-helix	trans	-72.8	-36.2	-179.9	-77.7	-50	0	0	0	113.2	Q225 E226 A227 R232 K233	Q225-D229 PolarHBondContact NE2-OD2 2.89Å; Q225-D229 PolarHBondContact O-N 3.43Å; E226-D229 PolarHBondContact O-N 3.01Å; A227-D229 VanDerWaalsContact C-N 3.33Å; A227-D229 PolarHBondContact O-N 3.03Å; D229-R232 IonicContact OD1-CZ 3.04Å; D229-R232 IonicContact OD1-NE 3.94Å; D229-R232 IonicContact OD1-NH1 3.35Å; D229-R232 PolarHBondContact OD1-NH1 3.12Å; D229-K233 VanDerWaalsContact O-CB 3.28Å; D229-K233 WeakPolarHBondContact O-CB 3.44Å; D229-K233 PolarHBondContact O-N 2.83Å
230	T	93.5	Very high	92.1	Very high	32 Å²	32	49 Å²	49	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-54.3	170.9	-68.9	0	0	0	0	111	H154 I155 E226 A227 R232 K233 E234	H154-T230 PolarHBondContact CE1-OG1 3.46Å; H154-T230 VanDerWaalsContact CE1-OG1 3.31Å; H154-T230 WeakPolarHBondContact NE2-CB 3.42Å; H154-T230 PolarHBondContact NE2-OG1 2.86Å; I155-T230 HydrophobicContact CD1-CG2 4.2Å; I155-T230 HydrophobicContact CG1-CG2 4.48Å; E226-T230 PolarHBondContact O-N 2.78Å; E226-T230 PolarHBondContact O-OG1 2.97Å; A227-T230 PolarHBondContact O-N 2.85Å; T230-R232 VanDerWaalsContact C-N 3.32Å; T230-R232 PolarHBondContact O-N 2.87Å; T230-K233 WeakPolarHBondContact O-CB 3.41Å; T230-K233 PolarHBondContact O-N 3.33Å; T230-K233 VanDerWaalsContact O-N 3.14Å; T230-E234 VanDerWaalsContact CG2-OE1 3.28Å; T230-E234 WeakPolarHBondContact CG2-OE1 3.45Å; T230-E234 WeakPolarHBondContact O-CG 3.33Å; T230-E234 PolarHBondContact O-N 3.03Å
231	I	92.1	Very high	91.4	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-45.9	178.4	-61.8	163	0	0	0	110	L122 I155 L158 A227 K233 E234 Q235 L435	L122-I231 HydrophobicContact CB-CG2 4.36Å; I155-I231 HydrophobicContact CD1-CD1 4.05Å; I155-I231 HydrophobicContact CD1-CG1 3.74Å; L158-I231 HydrophobicContact CD1-CD1 4.02Å; A227-I231 WeakPolarHBondContact O-CD1 3.31Å; A227-I231 VanDerWaalsContact O-CG1 3.24Å; A227-I231 WeakPolarHBondContact O-CG1 3.41Å; A227-I231 PolarHBondContact O-N 3.07Å; I231-K233 VanDerWaalsContact C-N 3.29Å; I231-K233 PolarHBondContact O-N 2.9Å; I231-E234 WeakPolarHBondContact O-CB 3.35Å; I231-E234 PolarHBondContact O-N 2.79Å; I231-Q235 HydrophobicContact CG2-CG 4.35Å; I231-Q235 WeakPolarHBondContact O-CG 3.18Å; I231-Q235 PolarHBondContact O-N 2.91Å; I231-L435 HydrophobicContact CB-CD2 4.05Å; I231-L435 HydrophobicContact CG2-CD2 3.77Å
232	R	91.1	Very high	90.7	Very high	65 Å²	65	59.9 Å²	59.9	25%	0.245	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-43.6	177.6	178.8	-174	-65.5	169.9	-7.7	112	C228 D229 T230 E236 L435 E439	C228-R232 WeakPolarHBondContact O-CB 3.4Å; C228-R232 PolarHBondContact O-N 3.27Å; D229-R232 IonicContact OD1-CZ 3.04Å; D229-R232 IonicContact OD1-NE 3.94Å; D229-R232 IonicContact OD1-NH1 3.35Å; D229-R232 PolarHBondContact OD1-NH1 3.12Å; T230-R232 VanDerWaalsContact C-N 3.32Å; T230-R232 PolarHBondContact O-N 2.87Å; R232-E236 PolarHBondContact O-N 3.09Å; R232-L435 HydrophobicContact CB-CD1 4.24Å; R232-L435 PolarHBondContact NH2-O 3.06Å; R232-E439 IonicContact CZ-OE1 3.74Å; R232-E439 IonicContact NH1-OE1 2.71Å; R232-E439 PolarHBondContact NH1-OE1 2.9Å; R232-E439 IonicContact NH2-OE1 3.68Å; R232-E439 PolarHBondContact NH2-OE1 3.34Å; R232-E439 IonicContact NH2-OE2 2.67Å
233	K	91	Very high	89.8	Confident	142 Å²	142	64.9 Å²	64.9	62%	0.617	30%	0.297	S	S	*	.	H	α-helix	trans	-67.4	-40.3	177.2	-179.5	-169.8	169.1	-154.3	0	112.4	D229 T230 I231 E236 L237	D229-K233 VanDerWaalsContact O-CB 3.28Å; D229-K233 WeakPolarHBondContact O-CB 3.44Å; D229-K233 PolarHBondContact O-N 2.83Å; T230-K233 WeakPolarHBondContact O-CB 3.41Å; T230-K233 PolarHBondContact O-N 3.33Å; T230-K233 VanDerWaalsContact O-N 3.14Å; I231-K233 VanDerWaalsContact C-N 3.29Å; I231-K233 PolarHBondContact O-N 2.9Å; K233-E236 CarbonylContact O-C 3.59Å; K233-E236 WeakPolarHBondContact O-CA 3.3Å; K233-E236 WeakPolarHBondContact O-CB 3.27Å; K233-E236 PolarHBondContact O-N 3.01Å; K233-E236 VanDerWaalsContact O-N 3.14Å; K233-L237 WeakPolarHBondContact O-CG 3.15Å; K233-L237 PolarHBondContact O-N 2.93Å
234	E	89.5	Confident	88.7	Confident	66 Å²	66	68.1 Å²	68.1	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-47.5	175	-69.1	162.6	-172.1	0	0	111.4	T230 I231 E236 L237 E238	T230-E234 VanDerWaalsContact CG2-OE1 3.28Å; T230-E234 WeakPolarHBondContact CG2-OE1 3.45Å; T230-E234 WeakPolarHBondContact O-CG 3.33Å; T230-E234 PolarHBondContact O-N 3.03Å; I231-E234 WeakPolarHBondContact O-CB 3.35Å; I231-E234 PolarHBondContact O-N 2.79Å; E234-E236 PolarHBondContact O-N 3.42Å; E234-E236 VanDerWaalsContact O-N 3.17Å; E234-L237 PolarHBondContact O-N 3.37Å; E234-E238 PolarHBondContact O-N 2.89Å; E234-E238 VanDerWaalsContact O-N 3.08Å
235	Q	86.3	Confident	87.7	Confident	8 Å²	8	73.7 Å²	73.7	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-24.3	176.1	-34.9	-157.7	-12.8	0	0	112.3	I231 R239	I231-Q235 HydrophobicContact CG2-CG 4.35Å; I231-Q235 WeakPolarHBondContact O-CG 3.18Å; I231-Q235 PolarHBondContact O-N 2.91Å; Q235-R239 VanDerWaalsContact CB-NH1 3.29Å; Q235-R239 WeakPolarHBondContact O-CG 3.46Å; Q235-R239 PolarHBondContact O-N 3.23Å; Q235-R239 PolarHBondContact O-NE 3.23Å; Q235-R239 PolarHBondContact O-NH1 3.14Å
236	E	87.4	Confident	86.4	Confident	91 Å²	91	78.1 Å²	78.1	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-79.6	-19.4	173.8	-92.8	-163.5	-141.7	0	0	114.2	R232 K233 E234 K240	R232-E236 PolarHBondContact O-N 3.09Å; K233-E236 CarbonylContact O-C 3.59Å; K233-E236 WeakPolarHBondContact O-CA 3.3Å; K233-E236 WeakPolarHBondContact O-CB 3.27Å; K233-E236 PolarHBondContact O-N 3.01Å; K233-E236 VanDerWaalsContact O-N 3.14Å; E234-E236 PolarHBondContact O-N 3.42Å; E234-E236 VanDerWaalsContact O-N 3.17Å; E236-K240 WeakPolarHBondContact O-CD 3.44Å; E236-K240 WeakPolarHBondContact O-CE 3.44Å; E236-K240 VanDerWaalsContact O-CG 3.3Å; E236-K240 WeakPolarHBondContact O-CG 3.34Å; E236-K240 PolarHBondContact O-NZ 3.37Å; E236-K240 IonicContact OE2-NZ 2.6Å; E236-K240 PolarHBondContact OE2-NZ 3.14Å
237	L	87	Confident	85	Confident	86 Å²	86	78.4 Å²	78.4	45%	0.45	37%	0.369	S	S	.	.	H	α-helix	trans	-83.3	-51.1	173.4	-69.8	168.4	0	0	0	109.6	K233 E234 R239 K240 E241	K233-L237 WeakPolarHBondContact O-CG 3.15Å; K233-L237 PolarHBondContact O-N 2.93Å; E234-L237 PolarHBondContact O-N 3.37Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 PolarHBondContact O-N 2.91Å; L237-K240 WeakPolarHBondContact O-CA 3.46Å; L237-K240 WeakPolarHBondContact O-CB 3.46Å; L237-K240 PolarHBondContact O-N 3.42Å; L237-E241 PolarHBondContact O-N 2.82Å
238	E	84.4	Confident	83.5	Confident	71 Å²	71	85.5 Å²	85.5	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-51.7	-45.9	175.7	-69.7	168.6	172.5	0	0	112.8	R125 E234 K240 E241 E242	R125-E238 IonicContact CZ-OE1 2.67Å; R125-E238 IonicContact CZ-OE2 3.77Å; R125-E238 IonicContact NE-OE1 3.75Å; R125-E238 IonicContact NH1-OE1 3.35Å; R125-E238 PolarHBondContact NH1-OE1 2.92Å; R125-E238 IonicContact NH1-OE2 3.36Å; R125-E238 PolarHBondContact NH1-OE2 2.87Å; R125-E238 VanDerWaalsContact NH1-OE2 3.13Å; R125-E238 IonicContact NH2-OE1 2.76Å; R125-E238 PolarHBondContact NH2-OE1 2.8Å; R125-E238 IonicContact NH2-OE2 3.98Å; R125-E238 PolarHBondContact NH2-OE2 3.48Å; E234-E238 PolarHBondContact O-N 2.89Å; E234-E238 VanDerWaalsContact O-N 3.08Å; E238-K240 PolarHBondContact O-N 2.96Å; E238-E241 PolarHBondContact O-N 3.45Å; E238-E241 VanDerWaalsContact O-N 3.1Å; E238-E242 WeakPolarHBondContact O-CG 3.09Å; E238-E242 PolarHBondContact O-N 2.89Å
239	R	85.1	Confident	81.8	Confident	106 Å²	106	90.8 Å²	90.8	40%	0.4	42%	0.424	S	S	.	.	H	α-helix	trans	-61.4	-30.7	178.2	-78.5	-170.7	-62	-86.5	4.7	113.1	Q235 L237 E243	Q235-R239 VanDerWaalsContact CB-NH1 3.29Å; Q235-R239 WeakPolarHBondContact O-CG 3.46Å; Q235-R239 PolarHBondContact O-N 3.23Å; Q235-R239 PolarHBondContact O-NE 3.23Å; Q235-R239 PolarHBondContact O-NH1 3.14Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 PolarHBondContact O-N 2.91Å; R239-E243 VanDerWaalsContact O-CB 3.31Å; R239-E243 WeakPolarHBondContact O-CB 3.36Å; R239-E243 WeakPolarHBondContact O-CG 3.5Å; R239-E243 PolarHBondContact O-N 3.15Å
240	K	85.1	Confident	80.2	Confident	100 Å²	100	92 Å²	92	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-78.9	-32.5	176.2	-64.6	175.3	-172.8	98.4	0	111.2	E236 L237 E238 E244	E236-K240 WeakPolarHBondContact O-CD 3.44Å; E236-K240 WeakPolarHBondContact O-CE 3.44Å; E236-K240 VanDerWaalsContact O-CG 3.3Å; E236-K240 WeakPolarHBondContact O-CG 3.34Å; E236-K240 PolarHBondContact O-NZ 3.37Å; E236-K240 IonicContact OE2-NZ 2.6Å; E236-K240 PolarHBondContact OE2-NZ 3.14Å; L237-K240 WeakPolarHBondContact O-CA 3.46Å; L237-K240 WeakPolarHBondContact O-CB 3.46Å; L237-K240 PolarHBondContact O-N 3.42Å; E238-K240 PolarHBondContact O-N 2.96Å; K240-E244 WeakPolarHBondContact O-CB 3.35Å; K240-E244 WeakPolarHBondContact O-CG 3.23Å; K240-E244 PolarHBondContact O-N 3.22Å
241	E	83.9	Confident	78.3	Confident	127 Å²	127	96.6 Å²	96.6	59%	0.593	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-44.2	173.4	-68.8	171.5	-175.2	0	0	111.2	L237 E238 E244 E245	L237-E241 PolarHBondContact O-N 2.82Å; E238-E241 PolarHBondContact O-N 3.45Å; E238-E241 VanDerWaalsContact O-N 3.1Å; E241-E244 PolarHBondContact O-N 3.37Å; E241-E245 WeakPolarHBondContact O-CB 3.48Å; E241-E245 PolarHBondContact O-N 2.92Å
242	E	80.9	Confident	76.5	Confident	104 Å²	104	102 Å²	102	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-44.5	172.1	-69.6	177.6	163.5	0	0	111.5	E238 E244 E245 D246	E238-E242 WeakPolarHBondContact O-CG 3.09Å; E238-E242 PolarHBondContact O-N 2.89Å; E242-E244 PolarHBondContact O-N 2.81Å; E242-E245 PolarHBondContact O-N 3.24Å; E242-D246 PolarHBondContact O-N 2.99Å; E242-D246 VanDerWaalsContact O-N 3.1Å
243	E	78.4	Confident	74.6	Confident	138 Å²	138	107.2 Å²	107.2	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-65.7	-33	174.6	-77	173.4	-171.4	0	0	113.1	R239 D247	R239-E243 VanDerWaalsContact O-CB 3.31Å; R239-E243 WeakPolarHBondContact O-CB 3.36Å; R239-E243 WeakPolarHBondContact O-CG 3.5Å; R239-E243 PolarHBondContact O-N 3.15Å; E243-D247 WeakPolarHBondContact O-CB 3.3Å; E243-D247 PolarHBondContact O-N 2.71Å
244	E	76.1	Confident	72.5	Confident	111 Å²	111	106.9 Å²	106.9	52%	0.519	52%	0.516	S	S	.	.	H	α-helix	trans	-77.4	-26.1	174	-85	-159.3	-144.8	0	0	113.7	K240 E241 E242 R248	K240-E244 WeakPolarHBondContact O-CB 3.35Å; K240-E244 WeakPolarHBondContact O-CG 3.23Å; K240-E244 PolarHBondContact O-N 3.22Å; E241-E244 PolarHBondContact O-N 3.37Å; E242-E244 PolarHBondContact O-N 2.81Å; E244-R248 WeakPolarHBondContact O-CD 3.29Å; E244-R248 WeakPolarHBondContact O-CG 3.45Å; E244-R248 PolarHBondContact O-N 2.86Å; E244-R248 PolarHBondContact O-NE 2.88Å; E244-R248 IonicContact OE2-CZ 3.84Å; E244-R248 IonicContact OE2-NE 2.76Å; E244-R248 IonicContact OE2-NH2 3.43Å; E244-R248 PolarHBondContact OE2-NH2 2.9Å
245	E	73.9	Confident	70.1	Confident	118 Å²	118	106.9 Å²	106.9	55%	0.551	53%	0.533	S	S	*	.	H	α-helix	trans	-74.6	-49.9	176.8	-166.6	159.8	-134.4	0	0	110.4	E241 E242 D247 R248 D249	E241-E245 WeakPolarHBondContact O-CB 3.48Å; E241-E245 PolarHBondContact O-N 2.92Å; E242-E245 PolarHBondContact O-N 3.24Å; E245-D247 VanDerWaalsContact C-N 3.3Å; E245-D247 PolarHBondContact O-N 2.82Å; E245-R248 WeakPolarHBondContact O-CB 3.49Å; E245-R248 PolarHBondContact O-N 2.83Å; E245-D249 PolarHBondContact O-N 3.35Å; E245-D249 VanDerWaalsContact O-N 3.15Å
246	D	68.5	Low	68.2	Low	120 Å²	120	112.9 Å²	112.9	64%	0.642	57%	0.571	S	S	*	*	H	α-helix	trans	-52.9	-45.3	172.2	-99	-0.3	0	0	0	111.7	E242 R248 D249 V250	E242-D246 PolarHBondContact O-N 2.99Å; E242-D246 VanDerWaalsContact O-N 3.1Å; D246-R248 PolarHBondContact O-N 3.4Å; D246-D249 PolarHBondContact O-N 2.79Å; D246-V250 VanDerWaalsContact O-CG2 3.32Å; D246-V250 WeakPolarHBondContact O-CG2 3.45Å; D246-V250 PolarHBondContact O-N 2.67Å; D246-V250 VanDerWaalsContact O-N 3.08Å
247	D	68.3	Low	66.3	Low	94 Å²	94	114.8 Å²	114.8	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-74	-10.4	-177.7	-161	48	0	0	0	113.1	E243 E245 K251	E243-D247 WeakPolarHBondContact O-CB 3.3Å; E243-D247 PolarHBondContact O-N 2.71Å; E245-D247 VanDerWaalsContact C-N 3.3Å; E245-D247 PolarHBondContact O-N 2.82Å; D247-K251 WeakPolarHBondContact O-CG 3.41Å; D247-K251 PolarHBondContact O-NZ 3.21Å; D247-K251 IonicContact OD1-NZ 3.46Å; D247-K251 PolarHBondContact OD1-NZ 3.22Å; D247-K251 IonicContact OD2-NZ 3.05Å; D247-K251 PolarHBondContact OD2-NZ 2.77Å
248	R	64	Low	64	Low	150 Å²	150	114.9 Å²	114.9	57%	0.566	60%	0.599	S	S	*	*	H	α-helix	trans	-88	-42.4	170.3	-70.2	161.1	-164.3	-162.5	5.9	111.5	E244 E245 D246 K251 T252	E244-R248 WeakPolarHBondContact O-CD 3.29Å; E244-R248 WeakPolarHBondContact O-CG 3.45Å; E244-R248 PolarHBondContact O-N 2.86Å; E244-R248 PolarHBondContact O-NE 2.88Å; E244-R248 IonicContact OE2-CZ 3.84Å; E244-R248 IonicContact OE2-NE 2.76Å; E244-R248 IonicContact OE2-NH2 3.43Å; E244-R248 PolarHBondContact OE2-NH2 2.9Å; E245-R248 WeakPolarHBondContact O-CB 3.49Å; E245-R248 PolarHBondContact O-N 2.83Å; D246-R248 PolarHBondContact O-N 3.4Å; R248-K251 PolarHBondContact O-N 2.73Å; R248-T252 PolarHBondContact O-N 2.67Å; R248-T252 PolarHBondContact O-OG1 2.94Å
249	D	58.2	Low	61.8	Low	110 Å²	110	118.4 Å²	118.4	59%	0.588	62%	0.62	S	S	*	*	H	α-helix	trans	-66.7	-41.8	178.5	-82.4	-2	0	0	0	111.8	E245 D246 K251 T252 E253	E245-D249 PolarHBondContact O-N 3.35Å; E245-D249 VanDerWaalsContact O-N 3.15Å; D246-D249 PolarHBondContact O-N 2.79Å; D249-K251 PolarHBondContact O-N 2.76Å; D249-K251 VanDerWaalsContact O-N 3.16Å; D249-T252 WeakPolarHBondContact O-CB 3.44Å; D249-T252 PolarHBondContact O-N 2.83Å; D249-E253 PolarHBondContact O-N 3.42Å
250	V	58.8	Low	59.5	Low	92 Å²	92	118.1 Å²	118.1	56%	0.558	63%	0.634	S	S	*	*	H	α-helix	trans	-59.9	-28.1	175.6	170.9	0	0	0	0	113	D246 N254	D246-V250 VanDerWaalsContact O-CG2 3.32Å; D246-V250 WeakPolarHBondContact O-CG2 3.45Å; D246-V250 PolarHBondContact O-N 2.67Å; D246-V250 VanDerWaalsContact O-N 3.08Å; V250-N254 PolarHBondContact O-ND2 2.87Å
251	K	54.7	Low	57.1	Low	130 Å²	130	120.5 Å²	120.5	57%	0.565	65%	0.652	S	S	*	*	H	α-helix	trans	-78.4	-21.4	173.5	-70.4	-175.8	-168.7	74.4	0	113.3	D247 R248 D249	D247-K251 WeakPolarHBondContact O-CG 3.41Å; D247-K251 PolarHBondContact O-NZ 3.21Å; D247-K251 IonicContact OD1-NZ 3.46Å; D247-K251 PolarHBondContact OD1-NZ 3.22Å; D247-K251 IonicContact OD2-NZ 3.05Å; D247-K251 PolarHBondContact OD2-NZ 2.77Å; R248-K251 PolarHBondContact O-N 2.73Å; D249-K251 PolarHBondContact O-N 2.76Å; D249-K251 VanDerWaalsContact O-N 3.16Å
252	T	53.7	Low	54.5	Low	112 Å²	112	123.9 Å²	123.9	69%	0.687	67%	0.665	S	S	*	*	H	α-helix	trans	-82.6	-29	-175.6	-56.7	0	0	0	0	112.2	R248 D249 N254	R248-T252 PolarHBondContact O-N 2.67Å; R248-T252 PolarHBondContact O-OG1 2.94Å; D249-T252 WeakPolarHBondContact O-CB 3.44Å; D249-T252 PolarHBondContact O-N 2.83Å; T252-N254 VanDerWaalsContact C-N 3.35Å; T252-N254 PolarHBondContact O-N 3.28Å
253	E	50.8	Low	52.2	Low	176 Å²	176	123.6 Å²	123.6	82%	0.822	67%	0.674	S	S	*	*	S	Bend	trans	-75	-15.3	177.2	-65.1	-156.8	129.4	0	0	115	D249	D249-E253 PolarHBondContact O-N 3.42Å
254	N	48.3	Very low	49.8	Very low	134 Å²	134	120.8 Å²	120.8	72%	0.717	68%	0.682	S	S	*	*	S	Bend	trans	-114.6	59	-169.4	-74.9	-78.6	0	0	0	113.8	V250 T252	V250-N254 PolarHBondContact O-ND2 2.87Å; T252-N254 VanDerWaalsContact C-N 3.35Å; T252-N254 PolarHBondContact O-N 3.28Å
255	G	38.6	Very low	47.7	Very low	66 Å²	66	120.3 Å²	120.3	68%	0.68	70%	0.697	S	S	*	*			trans	-162.8	45.5	-171.2	0	0	0	0	0	120.7
256	V	45.4	Very low	45.6	Very low	135 Å²	135	123.2 Å²	123.2	82%	0.818	71%	0.711	S	S	*	*			trans	-136.4	126.3	167.7	-177.2	0	0	0	0	112.1
257	P	47.7	Very low	43.8	Very low	130 Å²	130	122.4 Å²	122.4	84%	0.844	71%	0.714	S	S	*	*				-131.4	118.8	124	34.8	-26.2	0	0	0	113.8
258	S	40	Very low	41.8	Very low	89 Å²	89	129.7 Å²	129.7	62%	0.622	74%	0.735	S	S	*	*			trans	18.5	128.8	148.3	-84.1	0	0	0	0	122.8
259	D	37.2	Very low	40.5	Very low	145 Å²	145	127.2 Å²	127.2	78%	0.775	75%	0.747	S	S	*	*				62.4	127.4	127.2	-50.4	-46.4	0	0	0	119.3
260	S	37.2	Very low	39.1	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	76%	0.757	S	S	*	*			cis	-174.9	155.6	47.5	38	0	0	0	0	114.6
261	N	34.7	Very low	37.8	Very low	151 Å²	151	129.5 Å²	129.5	81%	0.807	77%	0.769	S	S	*	*			trans	44.7	117.4	144.7	-61.8	-28.2	0	0	0	121.7
262	F	28.6	Very low	36.7	Very low	198 Å²	198	130.8 Å²	130.8	87%	0.868	78%	0.782	S	S	*	*				147.9	163.5	102.3	-150.7	-106.1	0	0	0	113.3
263	S	32.5	Very low	35.7	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	77%	0.774	S	S	*	*			trans	-89	151.3	-168.9	59	0	0	0	0	115.2
264	G	29.8	Very low	35.1	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	78%	0.78	S	S	*	*			trans	-168.9	137.2	165.8	0	0	0	0	0	113.5
265	A	31.1	Very low	34.5	Very low	100 Å²	100	127.2 Å²	127.2	83%	0.826	78%	0.776	S	S	*	*			trans	-89.9	166.2	-173	0	0	0	0	0	114.8
266	E	29.5	Very low	34.5	Very low	179 Å²	179	131.1 Å²	131.1	84%	0.836	78%	0.776	S	S	*	*			trans	-6.3	115.9	163.8	-58.9	-173.5	109.2	0	0	120.7
267	S	30.8	Very low	33.8	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	77%	0.772	S	S	*	*				84.8	148.3	124.2	85.6	0	0	0	0	121.8
268	R	25.9	Very low	32.8	Very low	248 Å²	248	130 Å²	130	94%	0.936	77%	0.772	S	S	*	*			trans	74.2	137.7	166.7	-61.3	-175.2	174.3	178.2	0.8	117
269	A	37.7	Very low	32.4	Very low	98 Å²	98	129.5 Å²	129.5	81%	0.81	78%	0.78	S	S	*	*			trans	-135.2	149	-174.2	0	0	0	0	0	110.2
270	S	27.3	Very low	32	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	78%	0.783	S	S	*	*			trans	168.5	120.8	144.6	55.7	0	0	0	0	110.8
271	V	31.7	Very low	31.6	Very low	134 Å²	134	137.7 Å²	137.7	81%	0.812	79%	0.79	S	S	*	*			trans	-142.5	126.7	150.8	-179.1	0	0	0	0	107.1
272	D	32.8	Very low	31.9	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	79%	0.793	S	S	*	*			trans	36.2	139.2	163.2	-55.6	-35.3	0	0	0	122.2
273	E	33	Very low	32.1	Very low	109 Å²	109	134.8 Å²	134.8	51%	0.509	78%	0.782	S	S	.	*			trans	-127.5	107.3	176.6	-164.1	-152	165.4	0	0	109.9	Q276 V277	E273-Q276 WeakPolarHBondContact O-CG 3.3Å; E273-Q276 PolarHBondContact O-N 2.69Å; E273-Q276 VanDerWaalsContact OE2-CA 3.29Å; E273-Q276 WeakPolarHBondContact OE2-CA 3.41Å; E273-Q276 PolarHBondContact OE2-N 3.04Å; E273-V277 PolarHBondContact OE2-N 3.28Å
274	D	37.4	Very low	31.9	Very low	178 Å²	178	137.1 Å²	137.1	95%	0.952	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	105.7	143	-86	-52.6	0	0	0	105.6
275	G	36.2	Very low	32.3	Very low	61 Å²	61	139.7 Å²	139.7	63%	0.629	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	cis	-128.1	74.9	18.4	0	0	0	0	0	116.6
276	Q	38.2	Very low	32.3	Very low	147 Å²	147	142.9 Å²	142.9	69%	0.687	78%	0.784	S	S	*	*			trans	36.8	103.9	148.2	-104.8	170.2	44.6	0	0	119.7	E273	E273-Q276 WeakPolarHBondContact O-CG 3.3Å; E273-Q276 PolarHBondContact O-N 2.69Å; E273-Q276 VanDerWaalsContact OE2-CA 3.29Å; E273-Q276 WeakPolarHBondContact OE2-CA 3.41Å; E273-Q276 PolarHBondContact OE2-N 3.04Å
277	V	30.4	Very low	32.4	Very low	123 Å²	123	140.7 Å²	140.7	75%	0.745	78%	0.783	S	S	*	*				163.4	141.9	109	157.4	0	0	0	0	114.3	E273	E273-V277 PolarHBondContact OE2-N 3.28Å
278	S	27.7	Very low	32.3	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	78%	0.78	S	S	*	*			trans	-88.8	157.9	-171.7	71.7	0	0	0	0	117.6
279	G	29.8	Very low	32.5	Very low	77 Å²	77	135 Å²	135	79%	0.794	78%	0.778	S	S	*	*			trans	176.7	79.5	167.1	0	0	0	0	0	121.7
280	K	28.8	Very low	32.5	Very low	189 Å²	189	133.8 Å²	133.8	82%	0.822	77%	0.768	S	S	*	*			trans	3.5	136	152.5	-72.5	171.2	-179.4	165	0	122.8
281	R	29	Very low	32.8	Very low	227 Å²	227	137.6 Å²	137.6	86%	0.857	77%	0.77	S	S	*	*			trans	75.6	150.1	130.7	-73.7	-177.5	177	-174.4	-2.7	122.4
282	K	41.4	Very low	32.7	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	77%	0.772	S	S	*	*			trans	-72.5	145	149	-70.6	179.2	175.5	178.1	0	110
283	S	33.1	Very low	32.7	Very low	91 Å²	91	142.5 Å²	142.5	64%	0.636	77%	0.773	S	S	*	*			trans	136.4	120.4	147.4	71.9	0	0	0	0	114.3
284	D	28.5	Very low	33.5	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	78%	0.784	S	S	*	*				75.7	102.7	125.7	-56.8	-3.4	0	0	0	122.5
285	T	37.5	Very low	33.2	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	78%	0.779	S	S	*	*			trans	80.6	156	132.2	-0.8	0	0	0	0	123.9
286	E	31.2	Very low	33	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	78%	0.777	S	S	*	*			trans	84.6	111.1	156.3	-68.9	-150	81.6	0	0	123.7
287	V	31.7	Very low	32.7	Very low	134 Å²	134	147.2 Å²	147.2	81%	0.812	79%	0.786	S	S	*	*				72.2	135.2	124.1	177.9	0	0	0	0	122
288	G	28.8	Very low	32.4	Very low	63 Å²	63	149.9 Å²	149.9	65%	0.649	79%	0.787	S	S	*	*			trans	117.3	93.1	163.5	0	0	0	0	0	113.9
289	N	30.9	Very low	32.5	Very low	169 Å²	169	147.5 Å²	147.5	90%	0.904	77%	0.771	S	S	*	*				54	126.3	53.3	-115.1	4.2	0	0	0	113
290	A	36.5	Very low	32.4	Very low	72 Å²	72	151.8 Å²	151.8	60%	0.595	77%	0.77	S	S	*	*			cis	-169.7	163.4	-6.2	0	0	0	0	0	111
291	K	33.5	Very low	32.2	Very low	194 Å²	194	147.9 Å²	147.9	84%	0.843	77%	0.767	S	S	*	*			trans	145.6	140.9	151.6	-80.6	150.7	-166.2	168	0	110.4
292	K	31.2	Very low	32	Very low	196 Å²	196	141.3 Å²	141.3	85%	0.852	76%	0.761	S	S	*	*			cis	-154.3	144.1	-12.7	-125.9	176.5	-176.1	-177.8	0	111.1
293	K	32.1	Very low	31.3	Very low	198 Å²	198	141.3 Å²	141.3	86%	0.861	76%	0.764	S	S	*	*			trans	-69	168.9	168.1	-84.6	176.4	-178.3	176.1	0	111.2
294	P	50.3	Low	31	Very low	115 Å²	115	144.9 Å²	144.9	75%	0.747	77%	0.771	S	S	*	*			cis	-138	-168.4	38.5	40.3	-17.7	0	0	0	114.7
295	K	29.5	Very low	30.9	Very low	193 Å²	193	144 Å²	144	84%	0.839	77%	0.766	S	S	*	*			cis	-172.1	150	29.6	-152	169.5	-175.7	-179.2	0	109
296	S	33.8	Very low	30.3	Very low	85 Å²	85	143.6 Å²	143.6	59%	0.594	76%	0.763	S	S	*	*			cis	-176.9	155.3	-27.5	60.9	0	0	0	0	110.4
297	K	30.6	Very low	30	Very low	201 Å²	201	141 Å²	141	87%	0.874	76%	0.762	S	S	*	*			trans	98.8	144.3	164.1	-60.2	175.8	-177.6	-177.5	0	117.6
298	K	24.6	Very low	29.6	Very low	179 Å²	179	145.3 Å²	145.3	78%	0.778	76%	0.764	S	S	*	*			cis	-156	159.6	-19.7	175.3	170.8	177	-168.6	0	109.9
299	S	30.2	Very low	29.5	Very low	70 Å²	70	148.8 Å²	148.8	49%	0.49	77%	0.767	S	S	.	*			trans	-46.8	176.9	174.1	55.7	0	0	0	0	117.8
300	E	27.2	Very low	29.7	Very low	168 Å²	168	148.7 Å²	148.7	79%	0.785	76%	0.759	S	S	*	*			cis	-151.3	-171.5	28.8	-135.3	96.9	-136.6	0	0	113.4
301	S	23.7	Very low	29.4	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	77%	0.772	S	S	*	*			trans	-116	157.2	-167.9	55.1	0	0	0	0	115.8
302	A	26.7	Very low	29.2	Very low	89 Å²	89	150.4 Å²	150.4	74%	0.736	77%	0.767	S	S	*	*			trans	177.2	137.3	135.2	0	0	0	0	0	116
303	E	26.6	Very low	29	Very low	197 Å²	197	147.3 Å²	147.3	92%	0.921	76%	0.764	S	S	*	*			trans	60.3	-175.1	136.9	-63.1	-177.5	171.2	0	0	123
304	E	25.6	Very low	28.8	Very low	167 Å²	167	147.7 Å²	147.7	78%	0.78	76%	0.761	S	S	*	*			trans	-106.4	176.9	-148.3	-56.3	-171.8	131	0	0	116.8
305	N	25.8	Very low	27.9	Very low	125 Å²	125	146.2 Å²	146.2	67%	0.668	75%	0.753	S	S	*	*			trans	85.8	112.4	146.5	-70.9	-51.5	0	0	0	122.3
306	V	25.8	Very low	28.1	Very low	127 Å²	127	144.3 Å²	144.3	77%	0.77	74%	0.744	S	S	*	*				66.8	98.7	127.7	-175.2	0	0	0	0	120.6
307	C	24.8	Very low	28	Very low	112 Å²	112	150.5 Å²	150.5	76%	0.757	76%	0.755	S	S	*	*			trans	64	110.8	130.3	-165.5	0	0	0	0	122
308	R	24.4	Very low	28.1	Very low	225 Å²	225	150.5 Å²	150.5	85%	0.849	76%	0.755	S	S	*	*				-171.5	141.8	113.4	-109	175.6	173.4	-177.7	-1.4	116.2
309	N	25.9	Very low	28.2	Very low	135 Å²	135	147.1 Å²	147.1	72%	0.722	75%	0.754	S	S	*	*			trans	25.9	121.7	148	-66.3	-13.3	0	0	0	123.1
310	K	34.9	Very low	28.1	Very low	168 Å²	168	148.4 Å²	148.4	73%	0.73	76%	0.762	S	S	*	*			trans	48.2	143.2	131.2	-64.1	-171.4	176.8	-174.9	0	120.9
311	P	30.9	Very low	28.1	Very low	132 Å²	132	144.9 Å²	144.9	86%	0.857	76%	0.756	S	S	*	*				-131.3	168.7	110.2	36.6	-29.1	0	0	0	115.6
312	F	27.8	Very low	28.2	Very low	169 Å²	169	146.6 Å²	146.6	74%	0.741	76%	0.757	S	S	*	*			trans	-93.2	156	174.6	-81.9	-105	0	0	0	112.6
313	T	28.9	Very low	28.3	Very low	131 Å²	131	149.8 Å²	149.8	80%	0.804	76%	0.76	S	S	*	*			trans	-132.3	137.8	130.3	45.5	0	0	0	0	108.4
314	R	26.2	Very low	28.4	Very low	207 Å²	207	146.6 Å²	146.6	78%	0.781	76%	0.755	S	S	*	*			cis	84.7	130.1	33.2	-173.3	175.1	172.3	172.3	-5.8	111.1
315	S	32.7	Very low	28.6	Very low	83 Å²	83	145.1 Å²	145.1	58%	0.58	76%	0.757	S	S	*	*			cis	-153	142.1	32.9	-126.9	0	0	0	0	111.2
316	K	32.1	Very low	28.6	Very low	153 Å²	153	145.9 Å²	145.9	67%	0.665	76%	0.761	S	S	*	*				63.3	140.8	95.1	-69.2	-175.4	176	180	0	116.1
317	R	33	Very low	28.8	Very low	216 Å²	216	145.3 Å²	145.3	82%	0.815	76%	0.762	S	S	*	*			cis	-151.5	160	7.6	-96.4	141.5	169.4	172.9	-7.2	107.7
318	K	31.6	Very low	29.1	Very low	201 Å²	201	144.3 Å²	144.3	87%	0.874	76%	0.762	S	S	*	*			cis	99.9	111.5	20.4	-168.4	-166.3	179.9	-176.1	0	115.9
319	S	27.7	Very low	29.3	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	76%	0.764	S	S	*	*			trans	-160.5	166	156	49.8	0	0	0	0	112.4
320	S	27.5	Very low	29.4	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	76%	0.764	S	S	*	*			trans	-13.1	134.5	164.3	44.8	0	0	0	0	118.3
321	S	27.6	Very low	29.3	Very low	94 Å²	94	141 Å²	141	66%	0.657	76%	0.763	S	S	*	*			cis	98.1	149.3	41	75.1	0	0	0	0	114.2
322	D	25.1	Very low	29.1	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	76%	0.756	S	S	*	*			trans	77.1	166.7	166.7	-47.9	-63.8	0	0	0	118.9
323	I	30.3	Very low	29.1	Very low	157 Å²	157	136.6 Å²	136.6	81%	0.805	75%	0.749	S	S	*	*			trans	77.8	83.9	177.5	-46.5	-177.8	0	0	0	116.7
324	T	26.9	Very low	29.2	Very low	130 Å²	130	138.4 Å²	138.4	80%	0.798	75%	0.749	S	S	*	*			trans	11.1	145.2	134.5	50	0	0	0	0	122.1
325	V	29.7	Very low	29.4	Very low	136 Å²	136	135.5 Å²	135.5	82%	0.824	74%	0.744	S	S	*	*			trans	-51.7	143	162.8	-172.6	0	0	0	0	112
326	D	26.6	Very low	29.3	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	75%	0.754	S	S	*	*			trans	-117.3	133.3	167.6	-168.9	-1.6	0	0	0	109.7
327	S	30.7	Very low	29.2	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	76%	0.756	S	S	*	*			trans	-170.2	83.8	175.7	-79.2	0	0	0	0	109.6
328	A	29.6	Very low	29.1	Very low	90 Å²	90	135 Å²	135	74%	0.744	74%	0.744	S	S	*	*			trans	-85.6	123.7	176.6	0	0	0	0	0	112.3
329	Q	30.2	Very low	29	Very low	191 Å²	191	132.5 Å²	132.5	89%	0.893	73%	0.733	S	S	*	*			trans	-154.4	116.5	142.1	-116.2	168.1	15.1	0	0	113.1
330	S	28.3	Very low	29	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	73%	0.734	S	S	*	*			trans	-62.2	164.7	158.8	37.5	0	0	0	0	111.5
331	K	32.2	Very low	28.9	Very low	162 Å²	162	138 Å²	138	70%	0.704	74%	0.738	S	S	*	*			cis	-167.4	166.7	6.8	-118.6	176.7	-173.2	-75.8	0	105.6
332	E	27.5	Very low	28.8	Very low	152 Å²	152	140.6 Å²	140.6	71%	0.71	74%	0.744	S	S	*	*			cis	-165.5	164.8	-5.6	-158.7	132.1	-115	0	0	106
333	G	26.7	Very low	29.2	Very low	58 Å²	58	140.3 Å²	140.3	60%	0.598	74%	0.742	S	S	*	*			cis	176.1	-179.1	-3.9	0	0	0	0	0	111.9
334	E	31.3	Very low	29.6	Very low	169 Å²	169	138.2 Å²	138.2	79%	0.79	74%	0.739	S	S	*	*			trans	62.9	137.5	156.3	-53.8	-162	109.3	0	0	118.1
335	Q	29.9	Very low	29.7	Very low	146 Å²	146	138.8 Å²	138.8	68%	0.682	74%	0.737	S	S	*	*			cis	-165.8	155.2	2.7	-104.1	163.5	30.7	0	0	106.6
336	E	30.2	Very low	29.7	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	74%	0.735	S	S	*	*			cis	-161.7	-135	-14.4	-148.9	169.6	-173.9	0	0	111.8
337	E	31.2	Very low	29.7	Very low	152 Å²	152	139.9 Å²	139.9	71%	0.71	73%	0.729	S	S	*	*			trans	-27.5	158.2	177.5	-62.7	-154	133.3	0	0	122.6
338	E	30.5	Very low	29.5	Very low	120 Å²	120	141.5 Å²	141.5	56%	0.561	72%	0.721	S	S	*	*			cis	-160.6	146.7	7.9	-132.4	-166.3	-161.6	0	0	114.9
339	K	30	Very low	29.3	Very low	149 Å²	149	142.9 Å²	142.9	65%	0.648	72%	0.716	S	S	*	*			trans	45.5	142.6	143.8	-74.7	165.7	-157.4	155.3	0	121.4
340	K	27.8	Very low	29.1	Very low	179 Å²	179	140.3 Å²	140.3	78%	0.778	70%	0.704	S	S	*	*			cis	-158.5	144	16.1	-99.9	149.1	-179.6	172.1	0	109
341	N	25	Very low	29	Very low	141 Å²	141	143.1 Å²	143.1	75%	0.754	70%	0.703	S	S	*	*				51.6	131.7	90.1	-81.3	6.8	0	0	0	116.1
342	L	25.9	Very low	28.6	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	71%	0.706	S	S	*	*			cis	-161.5	159.8	17.9	-102.5	150.4	0	0	0	113
343	N	32.8	Very low	28.5	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	71%	0.712	S	S	*	*			trans	-95.1	168.1	158.4	-74.9	-3	0	0	0	111
344	P	39.3	Very low	28.3	Very low	113 Å²	113	139 Å²	139	73%	0.734	72%	0.719	S	S	*	*				-127.7	160.7	92.7	5.6	18	0	0	0	113.1
345	D	29	Very low	28	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	72%	0.717	S	S	*	*				66	144.9	62.1	-50.7	-59.3	0	0	0	113
346	E	28.3	Very low	27.8	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	72%	0.716	S	S	*	*			cis	-154.8	134.6	32.7	-121.4	159.8	-154	0	0	108.2
347	E	27.9	Very low	27.5	Very low	132 Å²	132	136.3 Å²	136.3	62%	0.617	71%	0.712	S	S	*	*				100.2	137.5	83.9	-91.6	-158.5	157.5	0	0	118.4
348	K	26.3	Very low	27.1	Very low	149 Å²	149	134.6 Å²	134.6	65%	0.648	72%	0.717	S	S	*	*			trans	64.6	160.8	138.8	-70.3	-175.5	-175.4	136.7	0	121.8
349	D	25.6	Very low	26.8	Very low	118 Å²	118	132.8 Å²	132.8	63%	0.631	73%	0.73	S	S	*	*			cis	-162.1	155.1	-19.4	-115.1	-22.2	0	0	0	111.4
350	E	26.2	Very low	26.6	Very low	138 Å²	138	135.6 Å²	135.6	65%	0.645	74%	0.742	S	S	*	*			trans	51.3	171.1	143.6	-62.9	-160	125.8	0	0	121.4
351	K	24.4	Very low	26.4	Very low	163 Å²	163	138 Å²	138	71%	0.709	75%	0.747	S	S	*	*			cis	-151.4	175.2	-4.6	-135.4	162.7	-171.7	135.9	0	112.4
352	A	25.1	Very low	26.5	Very low	92 Å²	92	140.5 Å²	140.5	76%	0.76	75%	0.751	S	S	*	*			trans	-36.9	176.6	168.1	0	0	0	0	0	118.6
353	S	24.8	Very low	26.6	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	76%	0.757	S	S	*	*			cis	-164.8	174	26.2	64.3	0	0	0	0	113.9
354	G	22.8	Very low	26.4	Very low	73 Å²	73	148.3 Å²	148.3	75%	0.753	77%	0.766	S	S	*	*			trans	-158.1	151.8	167.2	0	0	0	0	0	114
355	K	25.3	Very low	25.8	Very low	172 Å²	172	146.7 Å²	146.7	75%	0.748	77%	0.769	S	S	*	*			trans	-163.8	143.9	170.8	-97.7	-177.6	167	-83.7	0	106.3
356	E	24.7	Very low	25.8	Very low	140 Å²	140	146.5 Å²	146.5	65%	0.654	77%	0.773	S	S	*	*			cis	-150.6	-153.3	-4.9	-129.9	157.1	-178.1	0	0	107.4
357	T	24	Very low	25.9	Very low	116 Å²	116	147 Å²	147	71%	0.712	78%	0.781	S	S	*	*			cis	-157.9	152	17.1	-31.7	0	0	0	0	111.1
358	S	23.4	Very low	25.9	Very low	115 Å²	115	144 Å²	144	80%	0.804	79%	0.786	S	S	*	*			trans	44.2	116.1	151.3	60.5	0	0	0	0	122.1
359	G	24.1	Very low	26.5	Very low	82 Å²	82	149 Å²	149	85%	0.845	80%	0.8	S	S	*	*			trans	-170.3	132	156.9	0	0	0	0	0	111.9
360	K	25.5	Very low	26.9	Very low	208 Å²	208	151.7 Å²	151.7	90%	0.904	81%	0.814	S	S	*	*			trans	-106.1	128	-174	-71.1	179.7	177.3	175.2	0	113
361	R	24.7	Very low	27.2	Very low	229 Å²	229	157.2 Å²	157.2	86%	0.864	83%	0.829	S	S	*	*				155.1	151.1	114.6	-103.8	177.1	158.3	170.7	-7.5	114.7
362	K	26	Very low	27.4	Very low	195 Å²	195	152.2 Å²	152.2	85%	0.848	81%	0.814	S	S	*	*			trans	50.5	107.4	159.3	-67.6	-170.4	173.5	-170.9	0	118.6
363	K	27.9	Very low	27.9	Very low	209 Å²	209	150.1 Å²	150.1	91%	0.909	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.5	151.4	150.8	-72.2	-172.8	173.2	-173.8	0	109.8
364	R	28.8	Very low	28.2	Very low	240 Å²	240	148.1 Å²	148.1	91%	0.906	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.9	153.3	154.9	-80.8	-176.3	169.8	-174.1	-4.6	108.9
365	G	27.4	Very low	28.9	Very low	79 Å²	79	151.7 Å²	151.7	81%	0.814	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.9	141.2	169.8	0	0	0	0	0	110.8
366	T	27.7	Very low	29.5	Very low	138 Å²	138	149.2 Å²	149.2	85%	0.847	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-101.2	119.7	172.1	-39.8	0	0	0	0	107.7
367	L	30.9	Very low	29.9	Very low	179 Å²	179	146.6 Å²	146.6	94%	0.937	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-71.8	132.7	172.7	-66.2	172	0	0	0	108.9
368	G	27.3	Very low	30.8	Very low	70 Å²	70	143 Å²	143	72%	0.722	75%	0.753	S	S	*	*			trans	-135.1	77.2	-170.2	0	0	0	0	0	112.7
369	W	40.1	Very low	32	Very low	252 Å²	252	139.7 Å²	139.7	96%	0.955	73%	0.726	S	S	*	*			trans	-136	80.6	174.1	-85.9	-21.2	0	0	0	111.4
370	L	33.2	Very low	33	Very low	175 Å²	175	135.9 Å²	135.9	92%	0.916	69%	0.686	S	S	*	*			trans	-145.4	132	153.3	-81.9	107	0	0	0	108.8
371	R	33.8	Very low	33.8	Very low	254 Å²	254	128.2 Å²	128.2	96%	0.958	66%	0.659	S	S	*	*			trans	-150.6	156.6	165.5	-76.5	-162	174	-143.5	-1	108.5
372	S	27.2	Very low	34.7	Very low	58 Å²	58	126 Å²	126	41%	0.406	66%	0.655	S	S	.	*			trans	-72.2	149.8	-168.1	33.4	0	0	0	0	115	G374 K375 S551 E553	S372-G374 PolarHBondContact O-N 2.82Å; S372-G374 VanDerWaalsContact O-N 3.15Å; S372-K375 PolarHBondContact O-N 3.15Å; S372-S551 WeakPolarHBondContact CA-OG 3.14Å; S372-S551 WeakPolarHBondContact CB-OG 3.5Å; S372-E553 WeakPolarHBondContact CB-OE1 3.43Å; S372-E553 PolarHBondContact OG-OE1 2.79Å
373	S	36.4	Very low	35.6	Very low	48 Å²	48	118.7 Å²	118.7	34%	0.336	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-79.7	9.8	-170.1	90.6	0	0	0	0	115.2	K375 S551	S373-K375 PolarHBondContact O-N 3.09Å; S373-S551 VanDerWaalsContact CB-CB 3.44Å; S373-S551 PolarHBondContact N-OG 3.12Å; S373-S551 WeakPolarHBondContact OG-CB 3.31Å
374	G	31.5	Very low	36.1	Very low	78 Å²	78	113.2 Å²	113.2	80%	0.804	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-62.5	-17.1	161.1	0	0	0	0	0	112.6	S372	S372-G374 PolarHBondContact O-N 2.82Å; S372-G374 VanDerWaalsContact O-N 3.15Å
375	K	36.5	Very low	36.6	Very low	149 Å²	149	106.6 Å²	106.6	65%	0.648	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-131.4	78	164	-65.8	-170	177.5	-168.1	0	109.7	S372 S373 P377	S372-K375 PolarHBondContact O-N 3.15Å; S373-K375 PolarHBondContact O-N 3.09Å; K375-P377 WeakPolarHBondContact O-CD 3.38Å; K375-P377 VanDerWaalsContact O-N 3.13Å
376	Q	38.5	Very low	36.9	Very low	119 Å²	119	108.1 Å²	108.1	56%	0.556	59%	0.594	S	S	*	*			trans	-56	115.7	159.6	-80.4	-68.3	-6.3	0	0	107.5	S378	Q376-S378 PolarHBondContact O-N 2.84Å
377	P	33.6	Very low	37	Very low	86 Å²	86	104.7 Å²	104.7	56%	0.558	59%	0.587	S	S	*	*			trans	-71.7	130.9	-174.8	32.3	-35.3	0	0	0	107.9	K375	K375-P377 WeakPolarHBondContact O-CD 3.38Å; K375-P377 VanDerWaalsContact O-N 3.13Å
378	S	42.3	Very low	36.9	Very low	39 Å²	39	106.3 Å²	106.3	27%	0.273	59%	0.586	S	S	.	*			trans	-56.6	158	-175.9	65.5	0	0	0	0	111.4	Q376 F380 S381 E508	Q376-S378 PolarHBondContact O-N 2.84Å; S378-F380 PolarHBondContact O-N 2.86Å; S378-S381 WeakPolarHBondContact O-CB 3.11Å; S378-S381 PolarHBondContact O-N 3.17Å; S378-S381 PolarHBondContact O-OG 2.81Å; S378-E508 WeakPolarHBondContact CB-OE1 3.01Å; S378-E508 VanDerWaalsContact OG-CD 3.27Å; S378-E508 PolarHBondContact OG-OE1 3.35Å; S378-E508 PolarHBondContact OG-OE2 2.71Å
379	I	49.2	Very low	37.3	Very low	46 Å²	46	108.5 Å²	108.5	24%	0.236	58%	0.58	C	S	.	*	G	3₁₀ helix	trans	-52.3	-35.8	-173.1	-168.3	165.8	0	0	0	112.4	S381 F383 F504 L531	I379-S381 PolarHBondContact O-N 3.16Å; I379-F383 HydrophobicContact CG1-CE2 4.41Å; I379-F383 VanDerWaalsContact O-CD2 3.29Å; I379-F383 WeakPolarHBondContact O-CD2 3.38Å; I379-F383 VanDerWaalsContact O-CE2 3.26Å; I379-F383 WeakPolarHBondContact O-CE2 3.39Å; I379-F504 HydrophobicContact CD1-CD2 3.39Å; I379-F504 HydrophobicContact CD1-CE2 3.48Å; I379-F504 VanDerWaalsContact CD1-CE2 3.48Å; I379-F504 HydrophobicContact CD1-CG 4.47Å; I379-L531 HydrophobicContact CD1-CD1 4.4Å; I379-L531 HydrophobicContact CG2-CD1 3.99Å
380	F	44	Very low	36.6	Very low	3 Å²	3	101.9 Å²	101.9	1%	0.013	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-60.1	-20.8	175.6	-52.4	-82.2	0	0	0	115.6	S378 K382 F383 L448 E508 R529 L531	S378-F380 PolarHBondContact O-N 2.86Å; F380-K382 VanDerWaalsContact C-N 3.27Å; F380-K382 PolarHBondContact O-N 3.26Å; F380-F383 WeakPolarHBondContact O-CB 3.34Å; F380-F383 PolarHBondContact O-N 3.48Å; F380-L448 HydrophobicContact CD1-CD1 3.47Å; F380-L448 VanDerWaalsContact CD1-CD1 3.47Å; F380-L448 HydrophobicContact CE1-CD1 3.66Å; F380-E508 HydrophobicContact CD2-CB 4.22Å; F380-E508 WeakPolarHBondContact CD2-OE2 3.32Å; F380-E508 HydrophobicContact CE2-CB 3.75Å; F380-E508 HydrophobicContact CZ-CB 4.46Å; F380-R529 VanDerWaalsContact CB-NE 3.33Å; F380-R529 HydrophobicContact CD1-CG 3.62Å; F380-R529 HydrophobicContact CE1-CG 3.65Å; F380-R529 HydrophobicContact CG-CG 4.11Å; F380-R529 HydrophobicContact CZ-CG 4.24Å; F380-L531 HydrophobicContact CD1-CG 4.23Å; F380-L531 HydrophobicContact CE1-CB 4.46Å; F380-L531 HydrophobicContact CE1-CD1 4.33Å; F380-L531 HydrophobicContact CE1-CD2 4.29Å; F380-L531 HydrophobicContact CE1-CG 3.63Å; F380-L531 HydrophobicContact CZ-CG 4.25Å
381	S	43.8	Very low	36.3	Very low	47 Å²	47	98.6 Å²	98.6	33%	0.329	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-59.7	-34.2	-178.9	59.9	0	0	0	0	113.7	S378 I379 F383	S378-S381 WeakPolarHBondContact O-CB 3.11Å; S378-S381 PolarHBondContact O-N 3.17Å; S378-S381 PolarHBondContact O-OG 2.81Å; I379-S381 PolarHBondContact O-N 3.16Å; S381-F383 PolarHBondContact O-N 3.45Å
382	K	42.1	Very low	35.9	Very low	183 Å²	183	92.5 Å²	92.5	80%	0.796	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-66.6	-24.9	176.4	-66.2	-170.2	176	-171.2	0	112.8	F380 C384	F380-K382 VanDerWaalsContact C-N 3.27Å; F380-K382 PolarHBondContact O-N 3.26Å; K382-C384 PolarHBondContact O-N 2.91Å
383	F	45.7	Very low	35.9	Very low	41 Å²	41	97 Å²	97	18%	0.18	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-83.1	-9.2	-171.2	-63.4	-105.4	0	0	0	113.6	I379 F380 S381 S385 L448 E463	I379-F383 HydrophobicContact CG1-CE2 4.41Å; I379-F383 VanDerWaalsContact O-CD2 3.29Å; I379-F383 WeakPolarHBondContact O-CD2 3.38Å; I379-F383 VanDerWaalsContact O-CE2 3.26Å; I379-F383 WeakPolarHBondContact O-CE2 3.39Å; F380-F383 WeakPolarHBondContact O-CB 3.34Å; F380-F383 PolarHBondContact O-N 3.48Å; S381-F383 PolarHBondContact O-N 3.45Å; F383-S385 PolarHBondContact O-N 3.09Å; F383-L448 HydrophobicContact CB-CD2 3.85Å; F383-L448 HydrophobicContact CD1-CD2 4.18Å; F383-L448 HydrophobicContact CG-CD2 4.18Å; F383-E463 WeakPolarHBondContact CD1-OE1 3.32Å; F383-E463 WeakPolarHBondContact CD1-OE2 3.36Å; F383-E463 WeakPolarHBondContact CE1-OE2 3.32Å
384	C	38.7	Very low	35.6	Very low	93 Å²	93	100.8 Å²	100.8	63%	0.628	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-75.6	1	-174.5	-66	0	0	0	0	115.6	K382	K382-C384 PolarHBondContact O-N 2.91Å
385	S	39.1	Very low	35.3	Very low	102 Å²	102	106.7 Å²	106.7	71%	0.713	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-118.9	23.7	-158.9	-58.1	0	0	0	0	117.3	F383	F383-S385 PolarHBondContact O-N 3.09Å
386	V	32.8	Very low	34.8	Very low	111 Å²	111	105.8 Å²	105.8	67%	0.673	61%	0.609	S	S	*	*			trans	-141.1	132.9	166.2	-103.5	0	0	0	0	112.3	R461	V386-R461 PolarHBondContact O-NH2 3.43Å
387	G	30	Very low	34.1	Very low	66 Å²	66	108.3 Å²	108.3	68%	0.68	63%	0.625	S	S	*	*			trans	-105.8	-171.7	-167.4	0	0	0	0	0	116.2
388	K	29.2	Very low	33.7	Very low	212 Å²	212	111.4 Å²	111.4	92%	0.922	64%	0.637	S	S	*	*			trans	73.3	88.5	-173.2	-61.1	-177.9	179.4	176.4	0	115.1
389	I	35.4	Very low	32.8	Very low	117 Å²	117	118.8 Å²	118.8	60%	0.6	66%	0.664	S	S	*	*			trans	-65.1	144.4	157.9	45.7	172.4	0	0	0	111.2	E519	I389-E519 WeakPolarHBondContact CD1-OE1 3.45Å
390	S	26.4	Very low	31.6	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	69%	0.685	S	S	*	*			trans	-117.2	117	165.6	-175.2	0	0	0	0	107.8
391	S	25.3	Very low	30.6	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	72%	0.723	S	S	*	*			trans	-96.1	113.8	-173.8	46.2	0	0	0	0	111.9
392	T	27.3	Very low	29.9	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	75%	0.748	S	S	*	*			trans	-115.3	98.9	173.6	43.2	0	0	0	0	110.3	P394	T392-P394 WeakPolarHBondContact O-CD 3.32Å
393	N	25.2	Very low	29	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-69.6	123.5	177.5	-78.5	-21.4	0	0	0	111.3
394	P	31.1	Very low	28.1	Very low	127 Å²	127	137.1 Å²	137.1	83%	0.825	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.9	128.2	168.9	30.5	-32.3	0	0	0	110	T392	T392-P394 WeakPolarHBondContact O-CD 3.32Å
395	K	25.4	Very low	27.3	Very low	202 Å²	202	136.2 Å²	136.2	88%	0.878	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-99	126	165	-83.4	-173.3	174.6	179.5	0	109.8
396	T	24.8	Very low	27.2	Very low	131 Å²	131	137 Å²	137	80%	0.804	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.7	171.2	37.4	0	0	0	0	111.5
397	L	25.8	Very low	26.8	Very low	172 Å²	172	136.4 Å²	136.4	90%	0.901	78%	0.783	S	S	*	*			trans	-151.6	122	161.6	-132.3	113.6	0	0	0	109.8
398	N	23.9	Very low	26.6	Very low	151 Å²	151	142.4 Å²	142.4	81%	0.807	79%	0.794	S	S	*	*			trans	-95.7	134.5	-178.9	-63.4	-17.7	0	0	0	110.8
399	K	23.8	Very low	26.3	Very low	194 Å²	194	140.6 Å²	140.6	84%	0.843	79%	0.789	S	S	*	*			trans	-168.7	124.5	136.6	-119.1	-170.7	174.3	-171.1	0	116.5
400	S	23	Very low	26.6	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	79%	0.79	S	S	*	*			trans	38.5	127.9	136.8	61.6	0	0	0	0	122.3
401	E	23.6	Very low	26.4	Very low	172 Å²	172	144.4 Å²	144.4	80%	0.804	80%	0.797	S	S	*	*			trans	-63.7	174.1	157.6	-55.3	164.8	119.5	0	0	112.8
402	P	28.7	Very low	26.6	Very low	131 Å²	131	148.5 Å²	148.5	85%	0.851	80%	0.804	S	S	*	*				-141.4	173.3	95.4	40.1	-27.2	0	0	0	115.6
403	E	24.3	Very low	26.6	Very low	158 Å²	158	152.5 Å²	152.5	74%	0.738	81%	0.811	S	S	*	*			trans	-88.1	172.8	-173.9	-56.7	-172.9	129.9	0	0	117.1
404	N	26.4	Very low	26.6	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	81%	0.809	S	S	*	*			trans	85.4	140.4	149.9	-66.1	-53.6	0	0	0	120.4
405	G	22	Very low	26.5	Very low	74 Å²	74	151.1 Å²	151.1	76%	0.763	81%	0.81	S	S	*	*			trans	-103.7	-142.2	-179.5	0	0	0	0	0	113.5
406	P	37.2	Very low	27.2	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	81%	0.809	S	S	*	*			cis	-135.5	-179.3	8.6	41.1	-22.3	0	0	0	116.6
407	S	24.8	Very low	27.8	Very low	97 Å²	97	153.2 Å²	153.2	68%	0.678	81%	0.814	S	S	*	*			trans	45.4	120.9	148.1	63.5	0	0	0	0	122.6
408	E	24.6	Very low	28.2	Very low	193 Å²	193	149.3 Å²	149.3	90%	0.902	80%	0.801	S	S	*	*				169.7	156.9	102.7	-87.4	-153.4	147	0	0	113.5
409	E	24.1	Very low	28.6	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	80%	0.798	S	S	*	*			trans	-118.6	-179.4	173.6	-118.6	-163.7	-160.2	0	0	108.9
410	P	40.4	Very low	29	Very low	97 Å²	97	141.1 Å²	141.1	63%	0.63	79%	0.791	S	S	*	*			cis	-129.9	167.4	-27.7	36.1	-21.7	0	0	0	112.5
411	K	23.1	Very low	29.6	Very low	212 Å²	212	147.9 Å²	147.9	92%	0.922	80%	0.801	S	S	*	*			trans	-140	129.1	151.9	-77.6	-163.9	176.1	170.6	0	113.2
412	Q	28.6	Very low	29.9	Very low	192 Å²	192	147.7 Å²	147.7	90%	0.897	80%	0.798	S	S	*	*			trans	-73.1	148.1	179.3	-62.2	170.1	-27.1	0	0	112.5
413	K	27	Very low	30.2	Very low	211 Å²	211	145 Å²	145	92%	0.917	78%	0.782	S	S	*	*			trans	-150.5	137.4	139.9	-113.2	174.2	-175.4	-178.9	0	110.3
414	S	26.6	Very low	30.9	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	77%	0.769	S	S	*	*			trans	-86.4	148.3	-176.8	53.4	0	0	0	0	112.8
415	T	27.5	Very low	31.3	Very low	139 Å²	139	139.9 Å²	139.9	85%	0.853	76%	0.761	S	S	*	*				-157	144.3	129.4	-73.8	0	0	0	0	108.4
416	Q	41.1	Very low	31.8	Very low	184 Å²	184	137.9 Å²	137.9	86%	0.86	74%	0.74	S	S	*	*			trans	-91.8	113.9	-177.9	-64.5	163.8	-43	0	0	111.4
417	Q	37	Very low	32.2	Very low	193 Å²	193	137.6 Å²	137.6	90%	0.902	73%	0.728	S	S	*	*			trans	-173.8	74.6	156.7	-111.6	173.1	1.7	0	0	112.2
418	S	34	Very low	33.4	Very low	91 Å²	91	137.2 Å²	137.2	64%	0.636	72%	0.722	S	S	*	*			trans	-156.5	30.1	176.9	58.8	0	0	0	0	116
419	A	32.1	Very low	34.6	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	71%	0.705	S	S	*	*	S	Bend	trans	-75.9	-51.7	178.4	0	0	0	0	0	113.4	R421 K422	A419-R421 PolarHBondContact O-N 3.14Å; A419-K422 PolarHBondContact O-N 3.32Å
420	A	33.9	Very low	36	Very low	84 Å²	84	133 Å²	133	69%	0.694	70%	0.7	S	S	*	*	H	α-helix	trans	-61.4	-47.6	-169.8	0	0	0	0	0	114.1	K422 S423	A420-K422 PolarHBondContact O-N 3.37Å; A420-K422 VanDerWaalsContact O-N 3.09Å; A420-S423 PolarHBondContact O-N 3.33Å; A420-S423 VanDerWaalsContact O-N 3.14Å
421	R	33.9	Very low	36.8	Very low	239 Å²	239	134.5 Å²	134.5	90%	0.902	69%	0.693	S	S	*	*	H	α-helix	trans	-68	-8.9	-174.6	-78.4	-173.7	171.3	-179.2	-3.3	115.4	A419	A419-R421 PolarHBondContact O-N 3.14Å
422	K	30.5	Very low	38.6	Very low	169 Å²	169	131 Å²	131	74%	0.735	68%	0.68	S	S	*	*	H	α-helix	trans	-86.9	-27	172.6	-73.1	-169.3	175.1	-173.1	0	113.4	A419 A420	A419-K422 PolarHBondContact O-N 3.32Å; A420-K422 PolarHBondContact O-N 3.37Å; A420-K422 VanDerWaalsContact O-N 3.09Å
423	S	35.8	Very low	40.5	Very low	74 Å²	74	126.3 Å²	126.3	52%	0.517	66%	0.66	S	S	.	*	H	α-helix	trans	-70.6	-49.5	-177.8	-165.9	0	0	0	0	111.8	A420 K425 G426 Q427	A420-S423 PolarHBondContact O-N 3.33Å; A420-S423 VanDerWaalsContact O-N 3.14Å; S423-K425 PolarHBondContact O-N 3.31Å; S423-G426 PolarHBondContact O-N 3Å; S423-Q427 PolarHBondContact O-N 3.15Å; S423-Q427 VanDerWaalsContact O-N 3.15Å
424	A	39.1	Very low	43	Very low	56 Å²	56	117.3 Å²	117.3	46%	0.463	62%	0.623	S	S	.	*	H	α-helix	trans	-55	-50.2	-179.2	0	0	0	0	0	112.2	G426 Q427 T428	A424-G426 VanDerWaalsContact C-N 3.34Å; A424-G426 PolarHBondContact O-N 3.05Å; A424-Q427 WeakPolarHBondContact O-CB 3.4Å; A424-Q427 PolarHBondContact O-N 3.21Å; A424-T428 PolarHBondContact O-N 3.39Å; A424-T428 PolarHBondContact O-OG1 3.05Å; A424-T428 VanDerWaalsContact O-OG1 3.05Å
425	K	33.3	Very low	45.8	Very low	140 Å²	140	112.6 Å²	112.6	61%	0.609	59%	0.589	S	S	*	*	H	α-helix	trans	-61.2	-41.1	-176	-150.2	-176.3	-177.2	-161.9	0	112.9	S423 Q427 T428 E429	S423-K425 PolarHBondContact O-N 3.31Å; K425-Q427 VanDerWaalsContact C-N 3.29Å; K425-Q427 PolarHBondContact O-N 3.43Å; K425-T428 PolarHBondContact O-N 2.96Å; K425-E429 WeakPolarHBondContact O-CG 3.39Å; K425-E429 PolarHBondContact O-N 3.43Å
426	G	33.1	Very low	48.7	Very low	31 Å²	31	106.6 Å²	106.6	32%	0.32	56%	0.555	S	S	.	*	H	α-helix	trans	-71.6	-18.3	175.6	0	0	0	0	0	114.5	S423 A424 K430	S423-G426 PolarHBondContact O-N 3Å; A424-G426 VanDerWaalsContact C-N 3.34Å; A424-G426 PolarHBondContact O-N 3.05Å; G426-K430 WeakPolarHBondContact O-CG 3.49Å
427	Q	46.8	Very low	51.2	Low	114 Å²	114	98.4 Å²	98.4	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-81.8	-39.5	168.5	-72.3	-175.4	-17.5	0	0	111.8	S423 A424 K425 K430 R431	S423-Q427 PolarHBondContact O-N 3.15Å; S423-Q427 VanDerWaalsContact O-N 3.15Å; A424-Q427 WeakPolarHBondContact O-CB 3.4Å; A424-Q427 PolarHBondContact O-N 3.21Å; K425-Q427 VanDerWaalsContact C-N 3.29Å; K425-Q427 PolarHBondContact O-N 3.43Å; Q427-K430 PolarHBondContact O-N 3.38Å; Q427-R431 WeakPolarHBondContact O-CG 3.41Å; Q427-R431 PolarHBondContact O-N 2.97Å
428	T	49.5	Very low	53.9	Low	89 Å²	89	89.3 Å²	89.3	55%	0.546	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-47.2	175.9	-42	0	0	0	0	111.5	A424 K425 K430 R431 H432	A424-T428 PolarHBondContact O-N 3.39Å; A424-T428 PolarHBondContact O-OG1 3.05Å; A424-T428 VanDerWaalsContact O-OG1 3.05Å; K425-T428 PolarHBondContact O-N 2.96Å; T428-K430 VanDerWaalsContact C-N 3.35Å; T428-K430 PolarHBondContact O-N 3.25Å; T428-R431 PolarHBondContact O-N 3.02Å; T428-H432 PolarHBondContact O-N 3.09Å
429	E	50	Low	56.6	Low	116 Å²	116	86.7 Å²	86.7	54%	0.542	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-41.8	178	-72.2	165.6	-173.9	0	0	111.5	K425 H432 D433	K425-E429 WeakPolarHBondContact O-CG 3.39Å; K425-E429 PolarHBondContact O-N 3.43Å; E429-H432 PolarHBondContact O-N 3.15Å; E429-D433 PolarHBondContact O-N 3.33Å
430	K	53.2	Low	59.5	Low	164 Å²	164	86 Å²	86	71%	0.713	43%	0.432	S	S	*	.	H	α-helix	trans	-69	-32.3	176	-76.8	-177.5	176.7	-173.2	0	114.4	G426 Q427 T428	G426-K430 WeakPolarHBondContact O-CG 3.49Å; Q427-K430 PolarHBondContact O-N 3.38Å; T428-K430 VanDerWaalsContact C-N 3.35Å; T428-K430 PolarHBondContact O-N 3.25Å
431	R	56.6	Low	62.4	Low	128 Å²	128	82.2 Å²	82.2	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-70.6	-38	173.7	-74.8	179.3	178.6	178.6	0.5	111.4	Q427 T428 V434 L435	Q427-R431 WeakPolarHBondContact O-CG 3.41Å; Q427-R431 PolarHBondContact O-N 2.97Å; T428-R431 PolarHBondContact O-N 3.02Å; R431-V434 PolarHBondContact O-N 2.83Å; R431-L435 PolarHBondContact O-N 3.29Å; R431-L435 VanDerWaalsContact O-N 3.15Å
432	H	60.3	Low	65.3	Low	139 Å²	139	71 Å²	71	64%	0.644	36%	0.358	S	S	*	.	H	α-helix	trans	-68.6	-31.6	179.3	-163.2	-49.3	0	0	0	113.2	T428 E429 V434 G436	T428-H432 PolarHBondContact O-N 3.09Å; E429-H432 PolarHBondContact O-N 3.15Å; H432-V434 VanDerWaalsContact C-N 3.32Å; H432-G436 PolarHBondContact O-N 3.29Å
433	D	68.6	Low	68.4	Low	92 Å²	92	64.8 Å²	64.8	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-29.2	174.1	-171.5	60.3	0	0	0	112.9	E429 K440	E429-D433 PolarHBondContact O-N 3.33Å; D433-K440 VanDerWaalsContact CG-NZ 3.26Å; D433-K440 IonicContact OD1-NZ 3.68Å; D433-K440 PolarHBondContact OD1-NZ 3.31Å; D433-K440 IonicContact OD2-NZ 2.68Å; D433-K440 PolarHBondContact OD2-NZ 2.87Å
434	V	79.4	Confident	71.3	Confident	23 Å²	23	61.2 Å²	61.2	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-78	-43.8	176.4	177.5	0	0	0	0	111.5	K118 L119 L122 R431 H432 G436 L437	K118-V434 HydrophobicContact CB-CG1 3.67Å; K118-V434 HydrophobicContact CB-CG2 4.28Å; K118-V434 HydrophobicContact CD-CG2 3.9Å; L119-V434 HydrophobicContact CD2-CG1 3.98Å; L119-V434 HydrophobicContact CG-CG1 4.07Å; L122-V434 HydrophobicContact CD1-CB 4.14Å; L122-V434 HydrophobicContact CD1-CG1 3.68Å; R431-V434 PolarHBondContact O-N 2.83Å; H432-V434 VanDerWaalsContact C-N 3.32Å; V434-G436 PolarHBondContact O-N 2.81Å; V434-G436 VanDerWaalsContact O-N 3.14Å; V434-L437 PolarHBondContact O-N 2.65Å
435	L	85.8	Confident	74	Confident	11 Å²	11	62.9 Å²	62.9	6%	0.058	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.5	177.2	-68.3	175.3	0	0	0	113.6	L119 L122 I231 R232 R431	L119-L435 HydrophobicContact CD2-CD2 4.01Å; L122-L435 HydrophobicContact CD1-CD2 4.43Å; I231-L435 HydrophobicContact CB-CD2 4.05Å; I231-L435 HydrophobicContact CG2-CD2 3.77Å; R232-L435 HydrophobicContact CB-CD1 4.24Å; R232-L435 PolarHBondContact NH2-O 3.06Å; R431-L435 PolarHBondContact O-N 3.29Å; R431-L435 VanDerWaalsContact O-N 3.15Å
436	G	88.9	Confident	76.9	Confident	13 Å²	13	56.8 Å²	56.8	13%	0.134	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	20.2	175	0	0	0	0	0	114.2	H432 V434 M438 E439 K440	H432-G436 PolarHBondContact O-N 3.29Å; V434-G436 PolarHBondContact O-N 2.81Å; V434-G436 VanDerWaalsContact O-N 3.14Å; G436-M438 PolarHBondContact O-N 2.92Å; G436-E439 WeakPolarHBondContact CA-OE2 3.25Å; G436-E439 PolarHBondContact O-N 2.73Å; G436-K440 WeakPolarHBondContact O-CB 3.1Å; G436-K440 PolarHBondContact O-N 3.21Å
437	L	92.8	Very high	79.9	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-46.3	-167.5	-174.5	66.4	0	0	0	113.4	V116 L119 V434 K440 L441	V116-L437 HydrophobicContact CG2-CD2 4.11Å; L119-L437 HydrophobicContact CD1-CB 4.11Å; L119-L437 HydrophobicContact CD1-CD2 3.54Å; L119-L437 HydrophobicContact CD1-CG 4.49Å; L119-L437 HydrophobicContact CG-CD2 4.5Å; V434-L437 PolarHBondContact O-N 2.65Å; L437-K440 PolarHBondContact O-N 3.43Å; L437-L441 HydrophobicContact CD1-CD1 3.64Å; L437-L441 HydrophobicContact CD1-CG 4.09Å; L437-L441 HydrophobicContact CG-CD1 4Å; L437-L441 WeakPolarHBondContact O-CB 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.44Å; L437-L441 PolarHBondContact O-N 3.31Å
438	M	93.5	Very high	82.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-73.5	-40	179.7	-63.6	-61.9	93	0	0	110.7	F112 L221 I224 Q225 G436 K440 F442 Q443	F112-M438 HydrophobicContact CD2-CE 4.14Å; F112-M438 HydrophobicContact CE2-CE 4.03Å; L221-M438 HydrophobicContact CB-SD 4.37Å; L221-M438 HydrophobicContact CD2-SD 3.69Å; I224-M438 HydrophobicContact CB-CG 4.36Å; I224-M438 HydrophobicContact CB-SD 4.02Å; I224-M438 HydrophobicContact CG2-CE 3.8Å; I224-M438 HydrophobicContact CG2-CG 3.87Å; I224-M438 HydrophobicContact CG2-SD 3.68Å; Q225-M438 HydrophobicContact CB-CB 4.5Å; Q225-M438 HydrophobicContact CB-CG 4.27Å; G436-M438 PolarHBondContact O-N 2.92Å; M438-K440 PolarHBondContact O-N 3.33Å; M438-F442 HydrophobicContact CE-CD2 4.13Å; M438-F442 HydrophobicContact CE-CE2 4.06Å; M438-F442 PolarHBondContact O-N 3.4Å; M438-F442 HydrophobicContact SD-CD2 4.07Å; M438-F442 HydrophobicContact SD-CE2 4.37Å; M438-Q443 PolarHBondContact O-N 3.33Å
439	E	92.3	Very high	84.4	Confident	37 Å²	37	49.9 Å²	49.9	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-23.3	176.1	-59.6	93.9	145	0	0	112.8	Q225 R232 G436 K535	Q225-E439 PolarHBondContact NE2-OE1 3.48Å; R232-E439 IonicContact CZ-OE1 3.74Å; R232-E439 IonicContact NH1-OE1 2.71Å; R232-E439 PolarHBondContact NH1-OE1 2.9Å; R232-E439 IonicContact NH2-OE1 3.68Å; R232-E439 PolarHBondContact NH2-OE1 3.34Å; R232-E439 IonicContact NH2-OE2 2.67Å; G436-E439 WeakPolarHBondContact CA-OE2 3.25Å; G436-E439 PolarHBondContact O-N 2.73Å; E439-K535 PolarHBondContact O-NZ 3.12Å
440	K	91.6	Very high	86.6	Confident	73 Å²	73	45.2 Å²	45.2	32%	0.317	21%	0.206	S	C	.	.	H	α-helix	trans	-92.3	-55.2	178.2	-178.4	174.6	-176.1	171.7	0	112.1	D433 G436 L437 M438 E538	D433-K440 VanDerWaalsContact CG-NZ 3.26Å; D433-K440 IonicContact OD1-NZ 3.68Å; D433-K440 PolarHBondContact OD1-NZ 3.31Å; D433-K440 IonicContact OD2-NZ 2.68Å; D433-K440 PolarHBondContact OD2-NZ 2.87Å; G436-K440 WeakPolarHBondContact O-CB 3.1Å; G436-K440 PolarHBondContact O-N 3.21Å; L437-K440 PolarHBondContact O-N 3.43Å; M438-K440 PolarHBondContact O-N 3.33Å; K440-E538 WeakPolarHBondContact CG-OE2 3.44Å; K440-E538 PolarHBondContact O-N 2.97Å
441	L	95	Very high	88.6	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-50.6	-174.1	-69.3	-178.4	0	0	0	112.8	P110 F112 L437 E538 V539	P110-L441 WeakPolarHBondContact O-CD2 3.11Å; F112-L441 HydrophobicContact CB-CD1 4Å; F112-L441 HydrophobicContact CD2-CD1 4.31Å; L437-L441 HydrophobicContact CD1-CD1 3.64Å; L437-L441 HydrophobicContact CD1-CG 4.09Å; L437-L441 HydrophobicContact CG-CD1 4Å; L437-L441 WeakPolarHBondContact O-CB 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.44Å; L437-L441 PolarHBondContact O-N 3.31Å; L441-E538 HydrophobicContact CD2-CB 4.45Å; L441-E538 PolarHBondContact O-N 3.2Å; L441-V539 PolarHBondContact O-N 3.26Å
442	F	96.2	Very high	90.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-23.9	-167.1	-58.2	-72.6	0	0	0	114.5	L106 F112 L221 M438 G444 P537 V539	L106-F442 HydrophobicContact CD2-CE2 4.46Å; L106-F442 HydrophobicContact CD2-CZ 3.86Å; F112-F442 AromaticContact CD2-CE2 3.94Å; F112-F442 HydrophobicContact CD2-CE2 3.94Å; F112-F442 HydrophobicContact CD2-CZ 4.29Å; F112-F442 HydrophobicContact CE2-CE2 4.33Å; L221-F442 HydrophobicContact CD1-CB 4.27Å; L221-F442 HydrophobicContact CD1-CD1 4.3Å; L221-F442 HydrophobicContact CD1-CD2 4.01Å; L221-F442 HydrophobicContact CD1-CE2 4.4Å; L221-F442 HydrophobicContact CD1-CG 3.94Å; L221-F442 HydrophobicContact CD2-CD2 3.63Å; L221-F442 HydrophobicContact CD2-CE2 3.46Å; L221-F442 VanDerWaalsContact CD2-CE2 3.46Å; L221-F442 HydrophobicContact CD2-CG 4.38Å; L221-F442 HydrophobicContact CD2-CZ 4.1Å; L221-F442 HydrophobicContact CG-CD2 4.45Å; M438-F442 HydrophobicContact CE-CD2 4.13Å; M438-F442 HydrophobicContact CE-CE2 4.06Å; M438-F442 PolarHBondContact O-N 3.4Å; M438-F442 HydrophobicContact SD-CD2 4.07Å; M438-F442 HydrophobicContact SD-CE2 4.37Å; F442-G444 PolarHBondContact O-N 3.45Å; F442-P537 VanDerWaalsContact C-CB 3.43Å; F442-P537 VanDerWaalsContact O-CB 3.29Å; F442-P537 WeakPolarHBondContact O-CB 3.29Å; F442-V539 HydrophobicContact CD1-CB 4.21Å; F442-V539 HydrophobicContact CD1-CG1 4.19Å; F442-V539 HydrophobicContact CE1-CB 4.13Å; F442-V539 HydrophobicContact CE1-CG1 3.91Å
443	Q	95.6	Very high	92.3	Very high	39 Å²	39	31.3 Å²	31.3	18%	0.182	15%	0.148	C	C	.	.			trans	-80	106.5	-172.8	-166.6	167.7	-36.2	0	0	113.8	M438 D464 F465 K535	M438-Q443 PolarHBondContact O-N 3.33Å; Q443-D464 HydrophobicContact CG-CB 3.94Å; Q443-D464 PolarHBondContact NE2-OD2 3.23Å; Q443-F465 CarbonylContact C-O 3.52Å; Q443-F465 VanDerWaalsContact CA-O 3.29Å; Q443-F465 WeakPolarHBondContact CA-O 3.41Å; Q443-K535 WeakPolarHBondContact O-CE 3.48Å; Q443-K535 PolarHBondContact O-NZ 3.35Å
444	G	94.8	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-178.6	162.2	0	0	0	0	0	112.9	F442 D464 F465 K535	F442-G444 PolarHBondContact O-N 3.45Å; G444-D464 VanDerWaalsContact O-CA 3.31Å; G444-D464 WeakPolarHBondContact O-CA 3.44Å; G444-F465 VanDerWaalsContact C-CE1 3.44Å; G444-F465 VanDerWaalsContact CA-CE1 3.45Å; G444-F465 PolarHBondContact N-O 3.15Å; G444-F465 PolarHBondContact O-N 2.94Å; G444-K535 CarbonylContact C-O 3.57Å; G444-K535 VanDerWaalsContact CA-O 3.28Å; G444-K535 WeakPolarHBondContact CA-O 3.32Å
445	R	95.8	Very high	94.4	Very high	90 Å²	90	33.3 Å²	33.3	34%	0.34	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.8	171.9	-179.7	169.3	-72	147.2	11.6	110.6	R462 E463 D464 F465 D534 K535	R445-R462 HydrophobicContact CG-CB 4.45Å; R445-E463 CarbonylContact C-O 3.37Å; R445-E463 WeakPolarHBondContact CA-O 3.47Å; R445-D464 WeakPolarHBondContact CB-OD1 3.44Å; R445-D464 WeakPolarHBondContact CG-OD1 3.29Å; R445-D464 IonicContact CZ-OD1 3.13Å; R445-D464 VanDerWaalsContact CZ-OD1 3.27Å; R445-D464 IonicContact CZ-OD2 3.87Å; R445-D464 IonicContact NE-OD1 3.48Å; R445-D464 PolarHBondContact NE-OD1 3.06Å; R445-D464 IonicContact NE-OD2 2.7Å; R445-D464 IonicContact NH2-OD1 2.65Å; R445-D464 PolarHBondContact NH2-OD1 3.03Å; R445-D464 IonicContact NH2-OD2 3.97Å; R445-D464 PolarHBondContact NH2-OD2 2.97Å; R445-F465 VanDerWaalsContact N-CE1 3.32Å; R445-D534 HydrophobicContact CB-CB 4.48Å; R445-D534 WeakPolarHBondContact CD-OD2 3.24Å; R445-D534 HydrophobicContact CG-CB 4.19Å; R445-D534 PolarHBondContact O-N 3.05Å; R445-K535 HydrophobicContact CB-CB 3.84Å; R445-K535 PolarHBondContact N-O 2.74Å; R445-K535 PolarHBondContact O-N 2.79Å
446	L	95.6	Very high	94.9	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.5	170	-67.9	165.2	0	0	0	110.5	R462 E463 F465 F504 L531 L532 F533	L446-R462 WeakPolarHBondContact O-CA 3.42Å; L446-E463 PolarHBondContact N-O 2.92Å; L446-E463 PolarHBondContact O-N 2.68Å; L446-E463 VanDerWaalsContact O-N 3.1Å; L446-F465 HydrophobicContact CD1-CD1 4.09Å; L446-F465 HydrophobicContact CD1-CG 4.46Å; L446-F465 HydrophobicContact CD2-CD1 4.42Å; L446-F465 HydrophobicContact CD2-CE1 4.22Å; L446-F465 HydrophobicContact CG-CD1 3.66Å; L446-F465 HydrophobicContact CG-CE1 3.92Å; L446-F465 HydrophobicContact CG-CG 4.48Å; L446-F504 HydrophobicContact CD1-CZ 4.05Å; L446-F504 HydrophobicContact CD2-CE1 4.19Å; L446-F504 HydrophobicContact CD2-CZ 4.25Å; L446-L531 HydrophobicContact CD1-CD2 4.48Å; L446-L532 CarbonylContact C-O 3.5Å; L446-L532 VanDerWaalsContact CA-O 3.32Å; L446-L532 WeakPolarHBondContact CA-O 3.44Å; L446-F533 HydrophobicContact CD2-CD1 3.68Å; L446-F533 HydrophobicContact CD2-CE1 3.78Å; L446-F533 HydrophobicContact CD2-CG 4.3Å; L446-F533 HydrophobicContact CD2-CZ 4.46Å
447	V	95.7	Very high	95.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.4	161.2	162.3	0	0	0	0	107.8	R449 E460 R461 R462 L532 D534 T580	V447-R449 HydrophobicContact CG1-CB 4.16Å; V447-E460 HydrophobicContact CG1-CB 4.21Å; V447-E460 HydrophobicContact CG1-CG 3.95Å; V447-R461 WeakPolarHBondContact CA-O 3.48Å; V447-R462 HydrophobicContact CG2-CG 3.59Å; V447-L532 PolarHBondContact N-O 2.73Å; V447-L532 PolarHBondContact O-N 2.72Å; V447-D534 HydrophobicContact CG2-CB 3.73Å; V447-T580 HydrophobicContact CB-CG2 4.03Å; V447-T580 HydrophobicContact CG2-CG2 4.08Å
448	L	95.1	Very high	95.2	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.094	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	107.6	164.6	172.9	52.3	0	0	0	108.2	F380 F383 E460 R461 R529 L531	F380-L448 HydrophobicContact CD1-CD1 3.47Å; F380-L448 VanDerWaalsContact CD1-CD1 3.47Å; F380-L448 HydrophobicContact CE1-CD1 3.66Å; F383-L448 HydrophobicContact CB-CD2 3.85Å; F383-L448 HydrophobicContact CD1-CD2 4.18Å; F383-L448 HydrophobicContact CG-CD2 4.18Å; L448-E460 CarbonylContact O-C 3.49Å; L448-E460 WeakPolarHBondContact O-CA 3.25Å; L448-R461 HydrophobicContact CB-CB 4.45Å; L448-R461 PolarHBondContact N-O 2.79Å; L448-R461 PolarHBondContact O-N 3.3Å; L448-R529 HydrophobicContact CD1-CG 3.71Å; L448-L531 HydrophobicContact CB-CD2 4.1Å; L448-L531 HydrophobicContact CD1-CD2 4.19Å
449	R	95.1	Very high	95.3	Very high	72 Å²	72	47.6 Å²	47.6	27%	0.272	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.1	-178.8	-179.9	-179.3	-72.4	164.8	-2.1	110.5	V447 F458 T459 E460 R529 S530	V447-R449 HydrophobicContact CG1-CB 4.16Å; R449-F458 HydrophobicContact CG-CD1 3.73Å; R449-F458 HydrophobicContact CG-CE1 4.38Å; R449-T459 WeakPolarHBondContact CA-O 3.49Å; R449-E460 HydrophobicContact CB-CG 4.39Å; R449-E460 HydrophobicContact CG-CG 4.35Å; R449-E460 IonicContact CZ-OE1 3.67Å; R449-E460 VanDerWaalsContact CZ-OE1 3.23Å; R449-E460 IonicContact NE-OE1 2.74Å; R449-E460 PolarHBondContact NE-OE1 3.04Å; R449-E460 IonicContact NH2-OE1 2.8Å; R449-E460 PolarHBondContact NH2-OE1 3.08Å; R449-R529 CarbonylContact O-C 3.5Å; R449-R529 WeakPolarHBondContact O-CA 3.26Å; R449-S530 PolarHBondContact N-O 3.07Å; R449-S530 PolarHBondContact O-N 3.47Å
450	T	96.1	Very high	95.4	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.11	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.3	172.8	-49.9	0	0	0	0	109.7	F458 T459 I510 Y516 A527 E528	T450-F458 CarbonylContact O-C 3.51Å; T450-F458 VanDerWaalsContact O-CA 3.31Å; T450-F458 WeakPolarHBondContact O-CA 3.27Å; T450-T459 PolarHBondContact N-O 2.89Å; T450-T459 PolarHBondContact O-N 3.45Å; T450-I510 HydrophobicContact CG2-CD1 4.48Å; T450-Y516 HydrophobicContact CG2-CD2 4.3Å; T450-Y516 HydrophobicContact CG2-CE2 4.42Å; T450-Y516 HydrophobicContact CG2-CG 4.5Å; T450-A527 HydrophobicContact CG2-CB 3.62Å; T450-E528 CarbonylContact C-O 3.49Å; T450-E528 WeakPolarHBondContact CA-O 3.49Å
451	R	96.6	Very high	95.6	Very high	73 Å²	73	50.8 Å²	50.8	28%	0.275	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.9	178.5	-175.1	-165.6	-180	-173.5	2.3	110.2	E456 F458 A527 E528	R451-E456 IonicContact CZ-OE1 2.72Å; R451-E456 IonicContact NE-OE1 2.82Å; R451-E456 IonicContact NH2-OE1 3.55Å; R451-E456 PolarHBondContact NH2-OE1 3.07Å; R451-F458 HydrophobicContact CB-CD1 3.71Å; R451-F458 HydrophobicContact CB-CE1 3.53Å; R451-F458 HydrophobicContact CB-CZ 4.26Å; R451-F458 HydrophobicContact CG-CD1 3.97Å; R451-F458 HydrophobicContact CG-CE1 3.53Å; R451-F458 HydrophobicContact CG-CE2 4.32Å; R451-F458 HydrophobicContact CG-CZ 3.72Å; R451-A527 WeakPolarHBondContact O-CA 3.13Å; R451-A527 WeakPolarHBondContact O-CB 3.38Å; R451-E528 HydrophobicContact CB-CB 4.33Å; R451-E528 VanDerWaalsContact CD-OE2 3.28Å; R451-E528 WeakPolarHBondContact CD-OE2 3.28Å; R451-E528 IonicContact CZ-OE2 3.85Å; R451-E528 PolarHBondContact N-O 3.37Å; R451-E528 IonicContact NE-OE2 2.73Å; R451-E528 IonicContact NH1-OE2 3.88Å; R451-E528 PolarHBondContact NH1-OE2 3.23Å; R451-E528 PolarHBondContact O-N 2.92Å; R451-E528 VanDerWaalsContact O-N 3.1Å
452	C	97.1	Very high	95.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.7	169.4	-168.9	0	0	0	0	111.6	E454 C455 E456 S457 Y516	C452-E454 PolarHBondContact SG-N 3.1Å; C452-C455 PolarHBondContact SG-N 3.48Å; C452-C455 VanDerWaalsContact SG-N 3.35Å; C452-C455 PolarHBondContact SG-SG 2.84Å; C452-E456 VanDerWaalsContact O-CA 3.24Å; C452-E456 WeakPolarHBondContact O-CA 3.4Å; C452-E456 PolarHBondContact O-N 3.23Å; C452-S457 WeakPolarHBondContact CB-OG 3.45Å; C452-S457 PolarHBondContact N-O 3.09Å; C452-Y516 WeakPolarHBondContact CA-OH 3.41Å; C452-Y516 WeakPolarHBondContact CB-OH 3.14Å; C452-Y516 PolarHBondContact SG-OH 2.98Å
453	L	96.8	Very high	95.6	Very high	65 Å²	65	59 Å²	59	34%	0.34	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5	172.2	-64.8	-177.8	0	0	0	114.3	R509 E526 E528	L453-R509 HydrophobicContact CD1-CG 4.28Å; L453-E526 HydrophobicContact CB-CB 4.48Å; L453-E526 WeakPolarHBondContact CB-O 3.35Å; L453-E526 HydrophobicContact CD1-CB 3.98Å; L453-E526 PolarHBondContact N-O 2.95Å; L453-E528 HydrophobicContact CD2-CG 3.98Å
454	E	96.3	Very high	95.6	Very high	106 Å²	106	60.5 Å²	60.5	50%	0.495	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-48.6	175.1	-75.2	169.4	-166.2	0	0	113.8	C452 C521 H523 T525	C452-E454 PolarHBondContact SG-N 3.1Å; E454-C521 PolarHBondContact OE2-SG 3.47Å; E454-H523 IonicContact OE1-CE1 3.11Å; E454-H523 PolarHBondContact OE1-CE1 3.33Å; E454-H523 IonicContact OE2-CE1 3.81Å; E454-H523 PolarHBondContact OE2-CE1 3.44Å; E454-H523 IonicContact OE2-NE2 3.47Å; E454-T525 WeakPolarHBondContact CG-OG1 3.47Å; E454-T525 VanDerWaalsContact OE1-CB 3.3Å; E454-T525 WeakPolarHBondContact OE1-CB 3.46Å; E454-T525 PolarHBondContact OE1-OG1 2.87Å; E454-T525 PolarHBondContact OE2-OG1 3.45Å
455	C	96.4	Very high	95.7	Very high	51 Å²	51	61.4 Å²	61.4	35%	0.345	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	6.9	-174.1	71.5	0	0	0	0	113.8	C452 S457 C521	C452-C455 PolarHBondContact SG-N 3.48Å; C452-C455 VanDerWaalsContact SG-N 3.35Å; C452-C455 PolarHBondContact SG-SG 2.84Å; C455-S457 PolarHBondContact O-N 2.9Å; C455-S457 PolarHBondContact SG-OG 3.36Å; C455-S457 VanDerWaalsContact SG-OG 3.4Å; C455-C521 PolarHBondContact SG-SG 3.06Å
456	E	96.2	Very high	95.6	Very high	118 Å²	118	59.3 Å²	59.3	55%	0.551	28%	0.279	S	S	*	.			trans	57.5	5.1	177.2	-51.1	-156.8	93.5	0	0	116.5	R451 C452 F458	R451-E456 IonicContact CZ-OE1 2.72Å; R451-E456 IonicContact NE-OE1 2.82Å; R451-E456 IonicContact NH2-OE1 3.55Å; R451-E456 PolarHBondContact NH2-OE1 3.07Å; C452-E456 VanDerWaalsContact O-CA 3.24Å; C452-E456 WeakPolarHBondContact O-CA 3.4Å; C452-E456 PolarHBondContact O-N 3.23Å; E456-F458 WeakPolarHBondContact O-CD2 3.29Å; E456-F458 PolarHBondContact O-N 2.99Å
457	S	95.1	Very high	95.7	Very high	29 Å²	29	59.7 Å²	59.7	20%	0.203	28%	0.281	C	S	.	.			trans	-60	131.6	177.3	67.8	0	0	0	0	111.3	C452 C455	C452-S457 WeakPolarHBondContact CB-OG 3.45Å; C452-S457 PolarHBondContact N-O 3.09Å; C455-S457 PolarHBondContact O-N 2.9Å; C455-S457 PolarHBondContact SG-OG 3.36Å; C455-S457 VanDerWaalsContact SG-OG 3.4Å
458	F	93.6	Very high	95.7	Very high	120 Å²	120	59.8 Å²	59.8	53%	0.526	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.3	171.1	-66.2	-87.7	0	0	0	111.3	R449 T450 R451 E456	R449-F458 HydrophobicContact CG-CD1 3.73Å; R449-F458 HydrophobicContact CG-CE1 4.38Å; T450-F458 CarbonylContact O-C 3.51Å; T450-F458 VanDerWaalsContact O-CA 3.31Å; T450-F458 WeakPolarHBondContact O-CA 3.27Å; R451-F458 HydrophobicContact CB-CD1 3.71Å; R451-F458 HydrophobicContact CB-CE1 3.53Å; R451-F458 HydrophobicContact CB-CZ 4.26Å; R451-F458 HydrophobicContact CG-CD1 3.97Å; R451-F458 HydrophobicContact CG-CE1 3.53Å; R451-F458 HydrophobicContact CG-CE2 4.32Å; R451-F458 HydrophobicContact CG-CZ 3.72Å; E456-F458 WeakPolarHBondContact O-CD2 3.29Å; E456-F458 PolarHBondContact O-N 2.99Å
459	T	94.3	Very high	95.8	Very high	70 Å²	70	60.1 Å²	60.1	43%	0.429	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.2	160.5	61.1	0	0	0	0	109.4	R449 T450	R449-T459 WeakPolarHBondContact CA-O 3.49Å; T450-T459 PolarHBondContact N-O 2.89Å; T450-T459 PolarHBondContact O-N 3.45Å
460	E	95.4	Very high	95.8	Very high	84 Å²	84	56.7 Å²	56.7	39%	0.393	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.9	176	-66.2	-166	165.1	0	0	110.5	V447 L448 R449 R462	V447-E460 HydrophobicContact CG1-CB 4.21Å; V447-E460 HydrophobicContact CG1-CG 3.95Å; L448-E460 CarbonylContact O-C 3.49Å; L448-E460 WeakPolarHBondContact O-CA 3.25Å; R449-E460 HydrophobicContact CB-CG 4.39Å; R449-E460 HydrophobicContact CG-CG 4.35Å; R449-E460 IonicContact CZ-OE1 3.67Å; R449-E460 VanDerWaalsContact CZ-OE1 3.23Å; R449-E460 IonicContact NE-OE1 2.74Å; R449-E460 PolarHBondContact NE-OE1 3.04Å; R449-E460 IonicContact NH2-OE1 2.8Å; R449-E460 PolarHBondContact NH2-OE1 3.08Å; E460-R462 IonicContact OE2-CZ 3.29Å; E460-R462 IonicContact OE2-NE 3.55Å; E460-R462 IonicContact OE2-NH2 2.71Å; E460-R462 PolarHBondContact OE2-NH2 3.01Å
461	R	94.6	Very high	95.6	Very high	94 Å²	94	57.3 Å²	57.3	36%	0.355	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.4	161.9	-165.1	-170	-108.8	77.3	-10.8	108.5	V386 V447 L448 E463	V386-R461 PolarHBondContact O-NH2 3.43Å; V447-R461 WeakPolarHBondContact CA-O 3.48Å; L448-R461 HydrophobicContact CB-CB 4.45Å; L448-R461 PolarHBondContact N-O 2.79Å; L448-R461 PolarHBondContact O-N 3.3Å; R461-E463 WeakPolarHBondContact CD-OE1 3.48Å; R461-E463 HydrophobicContact CG-CG 4.39Å; R461-E463 IonicContact NE-OE1 3.34Å
462	R	96.4	Very high	95.3	Very high	122 Å²	122	54.2 Å²	54.2	46%	0.46	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.1	177	-75.3	164	-165.3	-100.3	-14.1	109.2	R445 L446 V447 E460 D534	R445-R462 HydrophobicContact CG-CB 4.45Å; L446-R462 WeakPolarHBondContact O-CA 3.42Å; V447-R462 HydrophobicContact CG2-CG 3.59Å; E460-R462 IonicContact OE2-CZ 3.29Å; E460-R462 IonicContact OE2-NE 3.55Å; E460-R462 IonicContact OE2-NH2 2.71Å; E460-R462 PolarHBondContact OE2-NH2 3.01Å; R462-D534 IonicContact CZ-OD1 3.93Å; R462-D534 IonicContact CZ-OD2 3.8Å; R462-D534 IonicContact NH1-OD1 2.67Å; R462-D534 PolarHBondContact NH1-OD1 3.31Å; R462-D534 IonicContact NH1-OD2 2.82Å; R462-D534 PolarHBondContact NH1-OD2 3.05Å; R462-D534 IonicContact NH2-OD1 2.91Å
463	E	95.4	Very high	94.7	Very high	59 Å²	59	58.6 Å²	58.6	28%	0.276	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.7	-178.4	-67	-176.4	-146.9	0	0	109.5	F383 R445 L446 R461	F383-E463 WeakPolarHBondContact CD1-OE1 3.32Å; F383-E463 WeakPolarHBondContact CD1-OE2 3.36Å; F383-E463 WeakPolarHBondContact CE1-OE2 3.32Å; R445-E463 CarbonylContact C-O 3.37Å; R445-E463 WeakPolarHBondContact CA-O 3.47Å; L446-E463 PolarHBondContact N-O 2.92Å; L446-E463 PolarHBondContact O-N 2.68Å; L446-E463 VanDerWaalsContact O-N 3.1Å; R461-E463 WeakPolarHBondContact CD-OE1 3.48Å; R461-E463 HydrophobicContact CG-CG 4.39Å; R461-E463 IonicContact NE-OE1 3.34Å
464	D	96	Very high	93.7	Very high	70 Å²	70	59.4 Å²	59.4	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	148.7	-177	-69.7	0.3	0	0	0	110.5	Q443 G444 R445	Q443-D464 HydrophobicContact CG-CB 3.94Å; Q443-D464 PolarHBondContact NE2-OD2 3.23Å; G444-D464 VanDerWaalsContact O-CA 3.31Å; G444-D464 WeakPolarHBondContact O-CA 3.44Å; R445-D464 WeakPolarHBondContact CB-OD1 3.44Å; R445-D464 WeakPolarHBondContact CG-OD1 3.29Å; R445-D464 IonicContact CZ-OD1 3.13Å; R445-D464 VanDerWaalsContact CZ-OD1 3.27Å; R445-D464 IonicContact CZ-OD2 3.87Å; R445-D464 IonicContact NE-OD1 3.48Å; R445-D464 PolarHBondContact NE-OD1 3.06Å; R445-D464 IonicContact NE-OD2 2.7Å; R445-D464 IonicContact NH2-OD1 2.65Å; R445-D464 PolarHBondContact NH2-OD1 3.03Å; R445-D464 IonicContact NH2-OD2 3.97Å; R445-D464 PolarHBondContact NH2-OD2 2.97Å
465	F	95.4	Very high	92.3	Very high	19 Å²	19	58.5 Å²	58.5	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.8	-174.5	73.7	-89.8	0	0	0	112.1	Q443 G444 R445 L446 D467 I468 F533 I540	Q443-F465 CarbonylContact C-O 3.52Å; Q443-F465 VanDerWaalsContact CA-O 3.29Å; Q443-F465 WeakPolarHBondContact CA-O 3.41Å; G444-F465 VanDerWaalsContact C-CE1 3.44Å; G444-F465 VanDerWaalsContact CA-CE1 3.45Å; G444-F465 PolarHBondContact N-O 3.15Å; G444-F465 PolarHBondContact O-N 2.94Å; R445-F465 VanDerWaalsContact N-CE1 3.32Å; L446-F465 HydrophobicContact CD1-CD1 4.09Å; L446-F465 HydrophobicContact CD1-CG 4.46Å; L446-F465 HydrophobicContact CD2-CD1 4.42Å; L446-F465 HydrophobicContact CD2-CE1 4.22Å; L446-F465 HydrophobicContact CG-CD1 3.66Å; L446-F465 HydrophobicContact CG-CE1 3.92Å; L446-F465 HydrophobicContact CG-CG 4.48Å; F465-D467 WeakPolarHBondContact CD2-O 3.4Å; F465-I468 HydrophobicContact CD2-CG2 3.88Å; F465-I468 HydrophobicContact CE2-CG2 3.77Å; F465-I468 HydrophobicContact CZ-CG2 4.34Å; F465-F533 AromaticContact CE1-CD1 3.86Å; F465-F533 HydrophobicContact CE1-CD1 3.86Å; F465-F533 HydrophobicContact CE1-CE1 4.12Å; F465-F533 HydrophobicContact CE2-CE1 4.41Å; F465-F533 AromaticContact CZ-CD1 3.7Å; F465-F533 HydrophobicContact CZ-CD1 3.7Å; F465-F533 AromaticContact CZ-CE1 3.69Å; F465-F533 HydrophobicContact CZ-CE1 3.69Å; F465-I540 HydrophobicContact CE2-CD1 4.35Å; F465-I540 HydrophobicContact CE2-CG1 4.45Å
466	Q	95.4	Very high	90.4	Very high	45 Å²	45	63.5 Å²	63.5	21%	0.21	31%	0.311	C	S	.	.	S	Bend	trans	-108	-28.1	174	-66.1	179.6	-9	0	0	112.8
467	D	96.4	Very high	88	Confident	20 Å²	20	62.9 Å²	62.9	11%	0.107	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.6	170.2	76.5	-77.3	0	0	0	111.2	Q214 Q218 F465 S469 T541	Q214-D467 PolarHBondContact NE2-OD2 2.97Å; Q218-D467 PolarHBondContact NE2-OD1 3.46Å; F465-D467 WeakPolarHBondContact CD2-O 3.4Å; D467-S469 PolarHBondContact OD2-OG 2.87Å; D467-S469 VanDerWaalsContact OD2-OG 3.05Å; D467-T541 VanDerWaalsContact CA-O 3.32Å; D467-T541 WeakPolarHBondContact CA-O 3.41Å; D467-T541 HydrophobicContact CB-CG2 3.84Å
468	I	96.4	Very high	85.5	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	163.4	57.8	173.3	0	0	0	110.1	F465 V470 F504 F533 I540 T541 I542 H543	F465-I468 HydrophobicContact CD2-CG2 3.88Å; F465-I468 HydrophobicContact CE2-CG2 3.77Å; F465-I468 HydrophobicContact CZ-CG2 4.34Å; I468-V470 HydrophobicContact CD1-CG1 4.32Å; I468-V470 HydrophobicContact CG1-CG1 4.48Å; I468-F504 HydrophobicContact CB-CD2 4.41Å; I468-F504 HydrophobicContact CB-CE1 4.45Å; I468-F504 HydrophobicContact CB-CE2 3.87Å; I468-F504 HydrophobicContact CB-CZ 3.91Å; I468-F504 HydrophobicContact CG2-CE1 4.04Å; I468-F504 HydrophobicContact CG2-CE2 3.97Å; I468-F504 HydrophobicContact CG2-CZ 3.5Å; I468-F533 HydrophobicContact CD1-CE1 4.37Å; I468-F533 HydrophobicContact CD1-CZ 3.87Å; I468-F533 HydrophobicContact CG2-CE1 3.92Å; I468-F533 HydrophobicContact CG2-CZ 4.25Å; I468-I540 HydrophobicContact CD1-CD1 3.94Å; I468-I540 HydrophobicContact CG1-CD1 4.27Å; I468-T541 PolarHBondContact N-O 3.04Å; I468-I542 HydrophobicContact CD1-CD1 4.3Å; I468-I542 HydrophobicContact CD1-CG1 4.09Å; I468-I542 HydrophobicContact CG1-CB 4.32Å; I468-I542 HydrophobicContact CG1-CG1 3.87Å; I468-I542 HydrophobicContact CG1-CG2 4.18Å; I468-I542 CarbonylContact O-C 3.55Å; I468-I542 WeakPolarHBondContact O-CA 3.4Å; I468-H543 PolarHBondContact O-N 3Å
469	S	96.4	Very high	83.1	Confident	25 Å²	25	63.8 Å²	63.8	18%	0.175	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	100.5	178	-43.2	0	0	0	0	110.7	Q214 D467 H543 K545	Q214-S469 PolarHBondContact NE2-OG 3.39Å; D467-S469 PolarHBondContact OD2-OG 2.87Å; D467-S469 VanDerWaalsContact OD2-OG 3.05Å; S469-H543 CarbonylContact C-O 2.95Å; S469-H543 WeakPolarHBondContact CA-O 3.49Å; S469-H543 PolarHBondContact OG-ND1 2.87Å; S469-K545 VanDerWaalsContact O-CE 3.24Å; S469-K545 WeakPolarHBondContact O-CE 3.41Å; S469-K545 PolarHBondContact O-NZ 3.15Å
470	V	95.5	Very high	81	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	149	-176.5	-59.6	0	0	0	0	111.8	I468 L497 A500 I501 F504 I542 H543 L544 K545	I468-V470 HydrophobicContact CD1-CG1 4.32Å; I468-V470 HydrophobicContact CG1-CG1 4.48Å; V470-L497 HydrophobicContact CG2-CD1 4.43Å; V470-A500 HydrophobicContact CB-CB 4.04Å; V470-A500 HydrophobicContact CG2-CB 3.92Å; V470-I501 HydrophobicContact CG1-CG1 4.05Å; V470-F504 HydrophobicContact CG1-CB 4Å; V470-F504 HydrophobicContact CG1-CG 4.37Å; V470-I542 HydrophobicContact CG1-CG2 4.01Å; V470-I542 HydrophobicContact CG2-CG2 3.76Å; V470-H543 PolarHBondContact N-O 3.36Å; V470-L544 HydrophobicContact CG2-CD2 3.49Å; V470-L544 VanDerWaalsContact CG2-CD2 3.49Å; V470-K545 VanDerWaalsContact O-CB 3.27Å; V470-K545 WeakPolarHBondContact O-CB 3.38Å; V470-K545 WeakPolarHBondContact O-CG 3.33Å; V470-K545 PolarHBondContact O-N 2.91Å
471	P	93	Very high	78.8	Confident	32 Å²	32	70.5 Å²	70.5	21%	0.208	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.6	178.7	29.7	-34.8	0	0	0	112.2	Q503	P471-Q503 HydrophobicContact CG-CB 3.68Å; P471-Q503 HydrophobicContact CG-CG 4.41Å
472	V	89.4	Confident	76.5	Confident	8 Å²	8	72 Å²	72	5%	0.048	39%	0.385	C	S	.	.			trans	-114.1	128.6	156.1	-166.1	0	0	0	0	106.7	L544 R546 V563 T565 L567	V472-L544 HydrophobicContact CG2-CB 3.82Å; V472-R546 HydrophobicContact CB-CG 4.31Å; V472-R546 HydrophobicContact CG2-CG 3.91Å; V472-V563 HydrophobicContact CB-CG1 4.01Å; V472-V563 HydrophobicContact CG1-CG1 3.6Å; V472-T565 HydrophobicContact CG1-CG2 4.33Å; V472-L567 HydrophobicContact CG2-CD2 4.47Å
473	L	83.6	Confident	74.2	Confident	92 Å²	92	71.1 Å²	71.1	48%	0.482	39%	0.389	S	S	.	.			trans	-110	133.4	178	-62.1	-179.9	0	0	0	108.9	K495 W499	L473-K495 PolarHBondContact O-NZ 3.32Å; L473-W499 HydrophobicContact CB-CH2 4.38Å; L473-W499 HydrophobicContact CD1-CH2 3.82Å; L473-W499 HydrophobicContact CD1-CZ2 4.13Å; L473-W499 HydrophobicContact CG-CH2 3.99Å
474	D	76.6	Confident	71.8	Confident	82 Å²	82	73.1 Å²	73.1	44%	0.439	41%	0.41	S	S	.	.			trans	-54.3	145.4	170.2	-64.5	-65.4	0	0	0	111.1	Q476 K495 V563	D474-Q476 PolarHBondContact O-N 2.9Å; D474-Q476 VanDerWaalsContact O-N 3.1Å; D474-K495 PolarHBondContact O-NZ 3.48Å; D474-V563 WeakPolarHBondContact OD1-CG1 3.14Å
475	D	67.6	Low	69.8	Low	86 Å²	86	77.2 Å²	77.2	46%	0.46	43%	0.431	S	S	.	.			trans	-81.8	73.2	165.6	-57.7	-58	0	0	0	109	P477 K495 T565	D475-P477 WeakPolarHBondContact O-CD 3.4Å; D475-K495 WeakPolarHBondContact OD1-CE 3.41Å; D475-K495 IonicContact OD1-NZ 2.74Å; D475-K495 PolarHBondContact OD1-NZ 3.05Å; D475-T565 PolarHBondContact N-OG1 2.95Å; D475-T565 WeakPolarHBondContact OD2-CB 3.43Å; D475-T565 WeakPolarHBondContact OD2-CG2 3.46Å; D475-T565 PolarHBondContact OD2-OG1 3.16Å
476	Q	55.9	Low	67.8	Low	157 Å²	157	83.4 Å²	83.4	73%	0.734	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-57	122.1	161.9	-74.8	-72.2	1.2	0	0	107.7	D474 T478	D474-Q476 PolarHBondContact O-N 2.9Å; D474-Q476 VanDerWaalsContact O-N 3.1Å; Q476-T478 PolarHBondContact O-N 2.87Å
477	P	46.6	Very low	65.9	Low	105 Å²	105	84.4 Å²	84.4	68%	0.682	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-61.3	127.8	166.4	27.3	-32	0	0	0	107.3	D475 S479	D475-P477 WeakPolarHBondContact O-CD 3.4Å; P477-S479 PolarHBondContact O-N 3.34Å
478	T	41	Very low	63.9	Low	107 Å²	107	89.6 Å²	89.6	66%	0.656	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-51.6	131.6	170.5	43.3	0	0	0	0	108.7	Q476	Q476-T478 PolarHBondContact O-N 2.87Å
479	S	44.1	Very low	61.9	Low	60 Å²	60	94 Å²	94	42%	0.42	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-52.4	137.1	-177.6	29.2	0	0	0	0	110.5	P477 E481 D482	P477-S479 PolarHBondContact O-N 3.34Å; S479-E481 PolarHBondContact O-N 3.15Å; S479-D482 PolarHBondContact O-N 2.93Å; S479-D482 VanDerWaalsContact O-N 3.15Å
480	P	50.9	Low	59.8	Low	114 Å²	114	98.2 Å²	98.2	74%	0.74	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	6.3	-176.4	29.2	-36.7	0	0	0	114.1
481	E	47.6	Very low	57.9	Low	181 Å²	181	107.3 Å²	107.3	85%	0.846	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-21.4	177.5	-58	-178	176.7	0	0	112.5	S479	S479-E481 PolarHBondContact O-N 3.15Å
482	D	46.7	Very low	56.3	Low	127 Å²	127	112 Å²	112	68%	0.679	64%	0.637	S	S	*	*	S	Bend	trans	-87.4	-7.5	174.7	-86.3	-41	0	0	0	113.3	S479 S484	S479-D482 PolarHBondContact O-N 2.93Å; S479-D482 VanDerWaalsContact O-N 3.15Å; D482-S484 PolarHBondContact O-N 2.9Å
483	L	47.3	Very low	55.2	Low	102 Å²	102	120.1 Å²	120.1	53%	0.534	68%	0.675	S	S	.	*			trans	-79.4	66.9	177.4	-65.1	-179.5	0	0	0	111.4	D485	L483-D485 PolarHBondContact O-N 2.72Å
484	S	46	Very low	54.6	Low	102 Å²	102	120.5 Å²	120.5	71%	0.713	68%	0.675	S	S	*	*			trans	-67.6	124.6	164.5	63.5	0	0	0	0	109.8	D482	D482-S484 PolarHBondContact O-N 2.9Å
485	D	53.5	Low	55.1	Low	156 Å²	156	118.3 Å²	118.3	83%	0.834	66%	0.662	S	S	*	*	S	Bend	trans	-48.3	153.2	176.8	-78.1	-62.7	0	0	0	113.3	L483	L483-D485 PolarHBondContact O-N 2.72Å
486	V	54.5	Low	56.2	Low	149 Å²	149	116.2 Å²	116.2	90%	0.903	65%	0.652	S	S	*	*	S	Bend	trans	85.6	51	178.9	-158.9	0	0	0	0	115.4
487	S	55.3	Low	58	Low	65 Å²	65	108.7 Å²	108.7	46%	0.455	62%	0.617	S	S	.	*			trans	-145	137.8	148.7	175.9	0	0	0	0	110.1	D489	S487-D489 WeakPolarHBondContact CB-OD1 3.39Å; S487-D489 PolarHBondContact O-N 3.24Å; S487-D489 VanDerWaalsContact O-N 3.07Å; S487-D489 PolarHBondContact OG-OD1 3.07Å
488	P	54.7	Low	60.2	Low	130 Å²	130	106.6 Å²	106.6	84%	0.844	60%	0.602	S	S	*	*			trans	-78.6	78.4	164	33.5	-31.2	0	0	0	108.3
489	D	53.7	Low	62.7	Low	94 Å²	94	104.8 Å²	104.8	50%	0.503	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-57.2	138.8	-170.3	-71.5	-35.8	0	0	0	112.7	S487 K491	S487-D489 WeakPolarHBondContact CB-OD1 3.39Å; S487-D489 PolarHBondContact O-N 3.24Å; S487-D489 VanDerWaalsContact O-N 3.07Å; S487-D489 PolarHBondContact OG-OD1 3.07Å; D489-K491 PolarHBondContact O-N 2.93Å
490	P	52.7	Low	65.1	Low	114 Å²	114	102 Å²	102	74%	0.74	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-60.5	133.3	175.9	27	-33.5	0	0	0	108.7
491	K	56.2	Low	67.1	Low	191 Å²	191	96.5 Å²	96.5	83%	0.83	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-50.3	139.5	170.8	-65.7	-179.6	178.7	-179.2	0	108.7	D489 E493	D489-K491 PolarHBondContact O-N 2.93Å; K491-E493 PolarHBondContact O-N 3.32Å
492	P	58.8	Low	69.3	Low	130 Å²	130	89.8 Å²	89.8	84%	0.844	50%	0.501	S	S	*	.			trans	-53.6	113.9	178.8	21.5	-32.8	0	0	0	109.5	M494	P492-M494 PolarHBondContact O-N 2.75Å
493	E	66	Low	71.5	Confident	179 Å²	179	87.4 Å²	87.4	84%	0.836	49%	0.486	S	S	*	.			trans	-74.3	126.3	-172.7	-171.8	171.8	-165	0	0	109.4	K491 K495	K491-E493 PolarHBondContact O-N 3.32Å; E493-K495 PolarHBondContact O-N 2.88Å; E493-K495 VanDerWaalsContact O-N 3.1Å
494	M	71.9	Confident	73.6	Confident	99 Å²	99	83 Å²	83	49%	0.488	46%	0.463	S	S	.	.			trans	-62	116	-177.3	177.7	174.6	54.3	0	0	110.1	P492 T496 Q568	P492-M494 PolarHBondContact O-N 2.75Å; M494-T496 PolarHBondContact O-N 3.45Å; M494-Q568 HydrophobicContact CE-CB 3.96Å; M494-Q568 HydrophobicContact CE-CG 4Å; M494-Q568 HydrophobicContact CG-CB 4.46Å; M494-Q568 HydrophobicContact SD-CB 4.26Å
495	K	86.4	Confident	75.7	Confident	37 Å²	37	78.7 Å²	78.7	16%	0.161	43%	0.433	C	S	.	.			trans	-56.1	130	178.9	-68.8	159.6	179.8	153.3	0	110.4	L473 D474 D475 E493 W499 T565 L567 Q568	L473-K495 PolarHBondContact O-NZ 3.32Å; D474-K495 PolarHBondContact O-NZ 3.48Å; D475-K495 WeakPolarHBondContact OD1-CE 3.41Å; D475-K495 IonicContact OD1-NZ 2.74Å; D475-K495 PolarHBondContact OD1-NZ 3.05Å; E493-K495 PolarHBondContact O-N 2.88Å; E493-K495 VanDerWaalsContact O-N 3.1Å; K495-W499 HydrophobicContact CB-CD2 4.42Å; K495-W499 HydrophobicContact CB-CE3 3.94Å; K495-W499 HydrophobicContact CB-CZ3 4.29Å; K495-W499 HydrophobicContact CD-CH2 4.24Å; K495-W499 HydrophobicContact CD-CZ3 4.15Å; K495-W499 HydrophobicContact CG-CD2 4.28Å; K495-W499 HydrophobicContact CG-CE3 4.07Å; K495-W499 HydrophobicContact CG-CH2 4.46Å; K495-W499 HydrophobicContact CG-CZ3 4.18Å; K495-T565 HydrophobicContact CD-CG2 4.35Å; K495-L567 HydrophobicContact CB-CD1 3.85Å; K495-L567 WeakPolarHBondContact O-CA 3.48Å; K495-Q568 PolarHBondContact O-N 3.27Å
496	T	91.2	Very high	77.5	Confident	41 Å²	41	73.4 Å²	73.4	25%	0.252	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-104.2	161.3	179.7	65.7	0	0	0	0	111.3	M494 T498 W499 A500 Q568	M494-T496 PolarHBondContact O-N 3.45Å; T496-T498 PolarHBondContact O-N 3.2Å; T496-W499 WeakPolarHBondContact O-CB 3.43Å; T496-W499 PolarHBondContact O-N 3.1Å; T496-W499 VanDerWaalsContact O-N 3.14Å; T496-W499 PolarHBondContact OG1-N 2.99Å; T496-A500 PolarHBondContact O-N 3.25Å; T496-Q568 HydrophobicContact CG2-CB 4.21Å
497	L	93.1	Very high	79.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-59.1	-37.5	170.6	-174.1	65.3	0	0	0	111.6	V470 W499 A500 I501 I542 L544 L567 Q568 L573 L796 Y798	V470-L497 HydrophobicContact CG2-CD1 4.43Å; L497-W499 VanDerWaalsContact C-N 3.31Å; L497-W499 PolarHBondContact O-N 3.25Å; L497-A500 PolarHBondContact O-N 3.32Å; L497-A500 VanDerWaalsContact O-N 3.09Å; L497-I501 HydrophobicContact CD2-CD1 4.48Å; L497-I501 HydrophobicContact CG-CD1 3.99Å; L497-I501 HydrophobicContact CG-CG1 4.46Å; L497-I501 WeakPolarHBondContact O-CG1 3.27Å; L497-I501 PolarHBondContact O-N 2.74Å; L497-I542 HydrophobicContact CD1-CG2 4.23Å; L497-I542 HydrophobicContact CD2-CD1 4.31Å; L497-L544 HydrophobicContact CD1-CD2 3.86Å; L497-L567 HydrophobicContact CD1-CD2 4.1Å; L497-Q568 PolarHBondContact N-O 3.34Å; L497-L573 HydrophobicContact CD2-CD2 4.42Å; L497-L796 HydrophobicContact CD1-CD1 3.77Å; L497-L796 HydrophobicContact CD2-CD1 3.7Å; L497-L796 HydrophobicContact CG-CD1 4.38Å; L497-Y798 HydrophobicContact CD2-CE2 3.73Å; L497-Y798 VanDerWaalsContact CD2-OH 3.26Å; L497-Y798 WeakPolarHBondContact CD2-OH 3.29Å
498	T	92.4	Very high	81	Confident	60 Å²	60	70.1 Å²	70.1	37%	0.368	38%	0.382	S	S	.	.	H	α-helix	trans	-57.5	-43	174	-45.2	0	0	0	0	111.5	T496 S502 W578	T496-T498 PolarHBondContact O-N 3.2Å; T498-S502 WeakPolarHBondContact O-CB 3.32Å; T498-S502 PolarHBondContact O-N 3.26Å; T498-W578 HydrophobicContact CG2-CH2 3.85Å; T498-W578 HydrophobicContact CG2-CZ2 4.3Å
499	W	92.9	Very high	82.8	Confident	70 Å²	70	71.3 Å²	71.3	27%	0.265	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-43.5	172.2	169.5	93.3	0	0	0	111.9	L473 K495 T496 L497 I501 S502 Q503 L567	L473-W499 HydrophobicContact CB-CH2 4.38Å; L473-W499 HydrophobicContact CD1-CH2 3.82Å; L473-W499 HydrophobicContact CD1-CZ2 4.13Å; L473-W499 HydrophobicContact CG-CH2 3.99Å; K495-W499 HydrophobicContact CB-CD2 4.42Å; K495-W499 HydrophobicContact CB-CE3 3.94Å; K495-W499 HydrophobicContact CB-CZ3 4.29Å; K495-W499 HydrophobicContact CD-CH2 4.24Å; K495-W499 HydrophobicContact CD-CZ3 4.15Å; K495-W499 HydrophobicContact CG-CD2 4.28Å; K495-W499 HydrophobicContact CG-CE3 4.07Å; K495-W499 HydrophobicContact CG-CH2 4.46Å; K495-W499 HydrophobicContact CG-CZ3 4.18Å; T496-W499 WeakPolarHBondContact O-CB 3.43Å; T496-W499 PolarHBondContact O-N 3.1Å; T496-W499 VanDerWaalsContact O-N 3.14Å; T496-W499 PolarHBondContact OG1-N 2.99Å; L497-W499 VanDerWaalsContact C-N 3.31Å; L497-W499 PolarHBondContact O-N 3.25Å; W499-I501 VanDerWaalsContact C-N 3.33Å; W499-I501 PolarHBondContact O-N 3.35Å; W499-S502 PolarHBondContact O-N 3.15Å; W499-S502 VanDerWaalsContact O-N 3.15Å; W499-S502 PolarHBondContact O-OG 2.82Å; W499-Q503 HydrophobicContact CD2-CG 4.17Å; W499-Q503 HydrophobicContact CH2-CG 4.04Å; W499-Q503 HydrophobicContact CZ2-CG 3.67Å; W499-Q503 HydrophobicContact CZ3-CG 4.45Å; W499-Q503 WeakPolarHBondContact O-CG 3.37Å; W499-Q503 PolarHBondContact O-N 3.3Å; W499-L567 HydrophobicContact CE3-CD1 4.46Å
500	A	94.3	Very high	84.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-37.1	179.7	0	0	0	0	0	112.3	V470 T496 L497 Q503 F504 L567	V470-A500 HydrophobicContact CB-CB 4.04Å; V470-A500 HydrophobicContact CG2-CB 3.92Å; T496-A500 PolarHBondContact O-N 3.25Å; L497-A500 PolarHBondContact O-N 3.32Å; L497-A500 VanDerWaalsContact O-N 3.09Å; A500-Q503 PolarHBondContact O-N 3.22Å; A500-F504 PolarHBondContact O-N 2.73Å; A500-F504 VanDerWaalsContact O-N 3.15Å; A500-L567 HydrophobicContact CB-CD1 4.33Å; A500-L567 HydrophobicContact CB-CD2 4.22Å
501	I	94.5	Very high	86.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.6	-37.6	173.4	-60.1	162.6	0	0	0	110.8	V470 L497 W499 Q503 F504 A505 I542 L573 L575 W578	V470-I501 HydrophobicContact CG1-CG1 4.05Å; L497-I501 HydrophobicContact CD2-CD1 4.48Å; L497-I501 HydrophobicContact CG-CD1 3.99Å; L497-I501 HydrophobicContact CG-CG1 4.46Å; L497-I501 WeakPolarHBondContact O-CG1 3.27Å; L497-I501 PolarHBondContact O-N 2.74Å; W499-I501 VanDerWaalsContact C-N 3.33Å; W499-I501 PolarHBondContact O-N 3.35Å; I501-Q503 VanDerWaalsContact C-N 3.27Å; I501-Q503 PolarHBondContact O-N 3.19Å; I501-F504 WeakPolarHBondContact O-CB 3.39Å; I501-F504 PolarHBondContact O-N 3.24Å; I501-F504 VanDerWaalsContact O-N 3.09Å; I501-A505 PolarHBondContact O-N 2.82Å; I501-I542 HydrophobicContact CD1-CD1 4.1Å; I501-L573 HydrophobicContact CD1-CD1 3.75Å; I501-L573 HydrophobicContact CD1-CD2 3.96Å; I501-L573 HydrophobicContact CD1-CG 4.47Å; I501-L575 HydrophobicContact CD1-CD2 4.38Å; I501-W578 HydrophobicContact CB-CE3 4.46Å; I501-W578 HydrophobicContact CB-CH2 3.86Å; I501-W578 HydrophobicContact CB-CZ2 4.26Å; I501-W578 HydrophobicContact CB-CZ3 3.98Å; I501-W578 HydrophobicContact CD1-CZ3 4.4Å; I501-W578 HydrophobicContact CG2-CD2 3.83Å; I501-W578 HydrophobicContact CG2-CE3 3.46Å; I501-W578 VanDerWaalsContact CG2-CE3 3.46Å; I501-W578 HydrophobicContact CG2-CH2 3.75Å; I501-W578 HydrophobicContact CG2-CZ2 4.1Å; I501-W578 HydrophobicContact CG2-CZ3 3.42Å; I501-W578 VanDerWaalsContact CG2-CZ3 3.42Å
502	S	92.4	Very high	88.5	Confident	39 Å²	39	58.1 Å²	58.1	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-32	175	87.1	0	0	0	0	112.6	T498 W499 S506	T498-S502 WeakPolarHBondContact O-CB 3.32Å; T498-S502 PolarHBondContact O-N 3.26Å; W499-S502 PolarHBondContact O-N 3.15Å; W499-S502 VanDerWaalsContact O-N 3.15Å; W499-S502 PolarHBondContact O-OG 2.82Å; S502-S506 WeakPolarHBondContact O-CA 3.41Å; S502-S506 WeakPolarHBondContact O-CB 3.38Å; S502-S506 PolarHBondContact O-N 2.74Å
503	Q	92.7	Very high	90.1	Very high	78 Å²	78	60.3 Å²	60.3	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-69.1	-39.6	170.4	-61.7	-45.7	-79	0	0	112.2	P471 W499 A500 I501 S506	P471-Q503 HydrophobicContact CG-CB 3.68Å; P471-Q503 HydrophobicContact CG-CG 4.41Å; W499-Q503 HydrophobicContact CD2-CG 4.17Å; W499-Q503 HydrophobicContact CH2-CG 4.04Å; W499-Q503 HydrophobicContact CZ2-CG 3.67Å; W499-Q503 HydrophobicContact CZ3-CG 4.45Å; W499-Q503 WeakPolarHBondContact O-CG 3.37Å; W499-Q503 PolarHBondContact O-N 3.3Å; A500-Q503 PolarHBondContact O-N 3.22Å; I501-Q503 VanDerWaalsContact C-N 3.27Å; I501-Q503 PolarHBondContact O-N 3.19Å; Q503-S506 WeakPolarHBondContact O-CB 3.46Å; Q503-S506 PolarHBondContact O-N 3.14Å; Q503-S506 PolarHBondContact O-OG 2.7Å
504	F	91.6	Very high	91.4	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.044	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-41.4	175.1	166.3	-83.5	0	0	0	112.6	I379 L446 I468 V470 A500 I501 S506 L531 F533	I379-F504 HydrophobicContact CD1-CD2 3.39Å; I379-F504 HydrophobicContact CD1-CE2 3.48Å; I379-F504 VanDerWaalsContact CD1-CE2 3.48Å; I379-F504 HydrophobicContact CD1-CG 4.47Å; L446-F504 HydrophobicContact CD1-CZ 4.05Å; L446-F504 HydrophobicContact CD2-CE1 4.19Å; L446-F504 HydrophobicContact CD2-CZ 4.25Å; I468-F504 HydrophobicContact CB-CD2 4.41Å; I468-F504 HydrophobicContact CB-CE1 4.45Å; I468-F504 HydrophobicContact CB-CE2 3.87Å; I468-F504 HydrophobicContact CB-CZ 3.91Å; I468-F504 HydrophobicContact CG2-CE1 4.04Å; I468-F504 HydrophobicContact CG2-CE2 3.97Å; I468-F504 HydrophobicContact CG2-CZ 3.5Å; V470-F504 HydrophobicContact CG1-CB 4Å; V470-F504 HydrophobicContact CG1-CG 4.37Å; A500-F504 PolarHBondContact O-N 2.73Å; A500-F504 VanDerWaalsContact O-N 3.15Å; I501-F504 WeakPolarHBondContact O-CB 3.39Å; I501-F504 PolarHBondContact O-N 3.24Å; I501-F504 VanDerWaalsContact O-N 3.09Å; F504-S506 VanDerWaalsContact C-N 3.34Å; F504-L531 HydrophobicContact CE1-CD1 4.3Å; F504-L531 HydrophobicContact CE2-CD1 4.31Å; F504-L531 HydrophobicContact CZ-CD1 4.02Å; F504-F533 HydrophobicContact CD1-CZ 4.34Å; F504-F533 HydrophobicContact CE1-CE1 4.32Å; F504-F533 HydrophobicContact CE1-CE2 4.48Å; F504-F533 AromaticContact CE1-CZ 3.8Å; F504-F533 HydrophobicContact CE1-CZ 3.8Å
505	A	90.8	Very high	92.4	Very high	10 Å²	10	56.3 Å²	56.3	8%	0.083	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10.8	179.4	0	0	0	0	0	113.7	I501 W578	I501-A505 PolarHBondContact O-N 2.82Å; A505-W578 HydrophobicContact CB-CB 3.91Å; A505-W578 VanDerWaalsContact CB-CD1 3.41Å; A505-W578 HydrophobicContact CB-CD2 4.49Å; A505-W578 HydrophobicContact CB-CG 3.65Å
506	S	90.3	Very high	92.7	Very high	46 Å²	46	56.3 Å²	56.3	32%	0.322	30%	0.297	S	S	.	.			trans	-64.3	153.7	-174.3	61.1	0	0	0	0	113.2	S502 Q503 F504 E508	S502-S506 WeakPolarHBondContact O-CA 3.41Å; S502-S506 WeakPolarHBondContact O-CB 3.38Å; S502-S506 PolarHBondContact O-N 2.74Å; Q503-S506 WeakPolarHBondContact O-CB 3.46Å; Q503-S506 PolarHBondContact O-N 3.14Å; Q503-S506 PolarHBondContact O-OG 2.7Å; F504-S506 VanDerWaalsContact C-N 3.34Å; S506-E508 PolarHBondContact O-N 2.71Å
507	V	91.2	Very high	92.9	Very high	94 Å²	94	59 Å²	59	57%	0.57	31%	0.306	S	S	*	.			trans	-85.7	105.6	173	-173	0	0	0	0	108.9	E528 R529	V507-E528 HydrophobicContact CG1-CB 3.7Å; V507-E528 HydrophobicContact CG1-CG 3.93Å; V507-R529 CarbonylContact C-O 3.52Å; V507-R529 WeakPolarHBondContact CA-O 3.44Å
508	E	92.4	Very high	93.1	Very high	50 Å²	50	59.1 Å²	59.1	23%	0.234	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.3	172.5	-179	-169.3	-148.2	0	0	110.1	S378 F380 S506 E528 R529	S378-E508 WeakPolarHBondContact CB-OE1 3.01Å; S378-E508 VanDerWaalsContact OG-CD 3.27Å; S378-E508 PolarHBondContact OG-OE1 3.35Å; S378-E508 PolarHBondContact OG-OE2 2.71Å; F380-E508 HydrophobicContact CD2-CB 4.22Å; F380-E508 WeakPolarHBondContact CD2-OE2 3.32Å; F380-E508 HydrophobicContact CE2-CB 3.75Å; F380-E508 HydrophobicContact CZ-CB 4.46Å; S506-E508 PolarHBondContact O-N 2.71Å; E508-E528 CarbonylContact O-C 3.56Å; E508-R529 PolarHBondContact N-O 2.97Å; E508-R529 PolarHBondContact O-N 3.38Å; E508-R529 IonicContact OE1-NH2 3.52Å; E508-R529 PolarHBondContact OE1-NH2 3.27Å; E508-R529 IonicContact OE2-CZ 2.64Å; E508-R529 IonicContact OE2-NE 3.13Å; E508-R529 PolarHBondContact OE2-NE 3.48Å; E508-R529 IonicContact OE2-NH2 2.68Å; E508-R529 PolarHBondContact OE2-NH2 3.18Å
509	R	93.8	Very high	93.2	Very high	155 Å²	155	61.8 Å²	61.8	59%	0.585	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.2	172.4	-164.5	-170.8	163.3	164.7	-6.8	110.6	L453 V511 E526 A527	L453-R509 HydrophobicContact CD1-CG 4.28Å; R509-V511 HydrophobicContact CB-CG1 4.43Å; R509-V511 HydrophobicContact CG-CG1 3.7Å; R509-V511 PolarHBondContact O-N 2.83Å; R509-E526 IonicContact CZ-OE2 3.96Å; R509-E526 IonicContact NE-OE2 3.7Å; R509-E526 IonicContact NH2-OE2 2.72Å; R509-E526 PolarHBondContact NH2-OE2 3.03Å; R509-A527 CarbonylContact C-O 3.59Å; R509-A527 VanDerWaalsContact CA-O 3.32Å; R509-A527 WeakPolarHBondContact CA-O 3.45Å
510	I	93.6	Very high	93.3	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115	177.1	-52.3	-178.1	0	0	0	108.9	T450 D514 E526 A527 R529	T450-I510 HydrophobicContact CG2-CD1 4.48Å; I510-D514 HydrophobicContact CG2-CB 4.44Å; I510-D514 WeakPolarHBondContact CG2-O 3.49Å; I510-E526 VanDerWaalsContact O-CA 3.27Å; I510-E526 WeakPolarHBondContact O-CA 3.33Å; I510-E526 WeakPolarHBondContact O-CB 3.47Å; I510-A527 HydrophobicContact CB-CB 4.2Å; I510-A527 HydrophobicContact CD1-CB 4.17Å; I510-A527 HydrophobicContact CG1-CB 4.36Å; I510-A527 PolarHBondContact N-O 3.42Å; I510-A527 PolarHBondContact O-N 3.44Å; I510-A527 VanDerWaalsContact O-N 3.16Å; I510-R529 HydrophobicContact CD1-CB 3.91Å; I510-R529 HydrophobicContact CG1-CB 4.14Å
511	V	94.7	Very high	93.4	Very high	61 Å²	61	64.4 Å²	64.4	37%	0.37	34%	0.339	S	S	.	.			trans	-141.7	175.4	-173.3	-60.1	0	0	0	0	112.5	R509 E513 D514 E526	R509-V511 HydrophobicContact CB-CG1 4.43Å; R509-V511 HydrophobicContact CG-CG1 3.7Å; R509-V511 PolarHBondContact O-N 2.83Å; V511-E513 PolarHBondContact O-N 2.77Å; V511-D514 PolarHBondContact O-N 3.28Å; V511-E526 HydrophobicContact CG1-CG 4.27Å
512	G	93	Very high	93.5	Very high	51 Å²	51	71.3 Å²	71.3	53%	0.526	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	65.1	-122.4	168.1	0	0	0	0	0	114.1	K515	G512-K515 WeakPolarHBondContact O-CG 3.29Å
513	E	92.6	Very high	93.7	Very high	176 Å²	176	73.6 Å²	73.6	82%	0.822	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-76	-28.6	178.8	-59.2	-176.4	134.1	0	0	112.5	V511 K515	V511-E513 PolarHBondContact O-N 2.77Å; E513-K515 VanDerWaalsContact C-N 3.3Å; E513-K515 PolarHBondContact O-N 2.95Å
514	D	92.9	Very high	93.9	Very high	122 Å²	122	77.4 Å²	77.4	65%	0.652	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-87.4	7.2	-172.9	-66.2	-68.2	0	0	0	113.5	I510 V511 Y516	I510-D514 HydrophobicContact CG2-CB 4.44Å; I510-D514 WeakPolarHBondContact CG2-O 3.49Å; V511-D514 PolarHBondContact O-N 3.28Å; D514-Y516 PolarHBondContact O-N 3.05Å
515	K	93.9	Very high	94.1	Very high	72 Å²	72	77 Å²	77	31%	0.313	39%	0.388	S	S	.	.			trans	-45.6	131.8	-178.2	-78.8	-176	-174.1	-148	0	112.3	G512 E513 Y524 T525 E526	G512-K515 WeakPolarHBondContact O-CG 3.29Å; E513-K515 VanDerWaalsContact C-N 3.3Å; E513-K515 PolarHBondContact O-N 2.95Å; K515-Y524 VanDerWaalsContact O-CD1 3.25Å; K515-Y524 WeakPolarHBondContact O-CD1 3.21Å; K515-T525 VanDerWaalsContact CB-O 3.31Å; K515-T525 WeakPolarHBondContact CB-O 3.39Å; K515-E526 HydrophobicContact CD-CG 4.13Å; K515-E526 VanDerWaalsContact CE-CG 3.48Å; K515-E526 VanDerWaalsContact CE-OE1 3.23Å; K515-E526 WeakPolarHBondContact CE-OE1 3.46Å; K515-E526 HydrophobicContact CG-CG 4.21Å; K515-E526 IonicContact NZ-OE1 3.71Å; K515-E526 PolarHBondContact NZ-OE1 3.13Å
516	Y	92.4	Very high	94.4	Very high	36 Å²	36	78.7 Å²	78.7	14%	0.141	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	152	-178.8	92.5	-69.7	0	0	0	111	T450 C452 D514 C518 Y524 T525 A527	T450-Y516 HydrophobicContact CG2-CD2 4.3Å; T450-Y516 HydrophobicContact CG2-CE2 4.42Å; T450-Y516 HydrophobicContact CG2-CG 4.5Å; C452-Y516 WeakPolarHBondContact CA-OH 3.41Å; C452-Y516 WeakPolarHBondContact CB-OH 3.14Å; C452-Y516 PolarHBondContact SG-OH 2.98Å; D514-Y516 PolarHBondContact O-N 3.05Å; Y516-C518 HydrophobicContact CE1-CB 4.45Å; Y516-C518 HydrophobicContact CE2-CB 3.93Å; Y516-C518 WeakPolarHBondContact OH-CB 3.15Å; Y516-C518 PolarHBondContact OH-SG 2.94Å; Y516-C518 VanDerWaalsContact OH-SG 3.34Å; Y516-Y524 CarbonylContact O-C 3.58Å; Y516-Y524 VanDerWaalsContact O-CA 3.29Å; Y516-Y524 WeakPolarHBondContact O-CA 3.43Å; Y516-T525 HydrophobicContact CD1-CG2 4.27Å; Y516-T525 WeakPolarHBondContact CD1-O 3.1Å; Y516-T525 HydrophobicContact CE1-CG2 3.47Å; Y516-T525 VanDerWaalsContact CE1-CG2 3.47Å; Y516-T525 PolarHBondContact N-O 3.38Å; Y516-T525 VanDerWaalsContact N-O 3.17Å; Y516-T525 PolarHBondContact O-N 3.04Å; Y516-A527 HydrophobicContact CD1-CB 3.33Å; Y516-A527 HydrophobicContact CE1-CB 3.4Å; Y516-A527 VanDerWaalsContact CE1-CB 3.4Å; Y516-A527 HydrophobicContact CG-CB 4.11Å
517	F	95.4	Very high	94.8	Very high	99 Å²	99	76.5 Å²	76.5	43%	0.434	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.9	173.8	-172.8	-92.1	0	0	0	110.5	H522 Y524	F517-H522 WeakPolarHBondContact CE2-O 3.4Å; F517-H522 VanDerWaalsContact CZ-C 3.48Å; F517-H522 WeakPolarHBondContact CZ-O 3.4Å; F517-Y524 HydrophobicContact CB-CD1 3.95Å; F517-Y524 HydrophobicContact CB-CE1 3.8Å; F517-Y524 HydrophobicContact CD2-CD1 4.34Å; F517-Y524 HydrophobicContact CD2-CD2 4.38Å; F517-Y524 HydrophobicContact CD2-CE1 4.27Å; F517-Y524 HydrophobicContact CD2-CE2 4.29Å; F517-Y524 HydrophobicContact CD2-CG 4.41Å
518	C	96.3	Very high	95	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.007	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.3	176.7	-175.8	0	0	0	0	110.9	Y516 T520 C521 H522 H523 T525	Y516-C518 HydrophobicContact CE1-CB 4.45Å; Y516-C518 HydrophobicContact CE2-CB 3.93Å; Y516-C518 WeakPolarHBondContact OH-CB 3.15Å; Y516-C518 PolarHBondContact OH-SG 2.94Å; Y516-C518 VanDerWaalsContact OH-SG 3.34Å; C518-T520 PolarHBondContact O-N 2.83Å; C518-T520 PolarHBondContact SG-N 2.95Å; C518-C521 HydrophobicContact CB-CB 3.97Å; C518-C521 PolarHBondContact SG-N 2.78Å; C518-C521 VanDerWaalsContact SG-N 3.37Å; C518-H522 VanDerWaalsContact O-CA 3.29Å; C518-H522 WeakPolarHBondContact O-CA 3.49Å; C518-H522 PolarHBondContact O-N 3.06Å; C518-H523 PolarHBondContact N-O 3.24Å; C518-T525 HydrophobicContact CB-CG2 3.71Å
519	E	95.2	Very high	95.1	Very high	117 Å²	117	74.5 Å²	74.5	55%	0.547	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.1	176.3	-63.5	-172.5	174.1	0	0	113.3	I389 H522	I389-E519 WeakPolarHBondContact CD1-OE1 3.45Å; E519-H522 PolarHBondContact O-CE1 3.02Å; E519-H522 PolarHBondContact O-ND1 2.8Å
520	T	96.1	Very high	95.2	Very high	93 Å²	93	68 Å²	68	57%	0.571	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-38	177.1	-54.1	0	0	0	0	113.2	C518	C518-T520 PolarHBondContact O-N 2.83Å; C518-T520 PolarHBondContact SG-N 2.95Å
521	C	96.2	Very high	95.2	Very high	31 Å²	31	67.5 Å²	67.5	21%	0.209	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-18	172.4	-56.1	0	0	0	0	112.7	E454 C455 C518 H523	E454-C521 PolarHBondContact OE2-SG 3.47Å; C455-C521 PolarHBondContact SG-SG 3.06Å; C518-C521 HydrophobicContact CB-CB 3.97Å; C518-C521 PolarHBondContact SG-N 2.78Å; C518-C521 VanDerWaalsContact SG-N 3.37Å; C521-H523 PolarHBondContact O-CD2 2.96Å; C521-H523 PolarHBondContact O-N 3.26Å
522	H	96.4	Very high	95.2	Very high	145 Å²	145	66 Å²	66	67%	0.671	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	24.1	-171.6	-58.7	-50.8	0	0	0	115.3	F517 C518 E519	F517-H522 WeakPolarHBondContact CE2-O 3.4Å; F517-H522 VanDerWaalsContact CZ-C 3.48Å; F517-H522 WeakPolarHBondContact CZ-O 3.4Å; C518-H522 VanDerWaalsContact O-CA 3.29Å; C518-H522 WeakPolarHBondContact O-CA 3.49Å; C518-H522 PolarHBondContact O-N 3.06Å; E519-H522 PolarHBondContact O-CE1 3.02Å; E519-H522 PolarHBondContact O-ND1 2.8Å
523	H	96.4	Very high	95.2	Very high	87 Å²	87	63.7 Å²	63.7	40%	0.403	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	174.5	172.4	62.5	83	0	0	0	112.8	E454 C518 C521	E454-H523 IonicContact OE1-CE1 3.11Å; E454-H523 PolarHBondContact OE1-CE1 3.33Å; E454-H523 IonicContact OE2-CE1 3.81Å; E454-H523 PolarHBondContact OE2-CE1 3.44Å; E454-H523 IonicContact OE2-NE2 3.47Å; C518-H523 PolarHBondContact N-O 3.24Å; C521-H523 PolarHBondContact O-CD2 2.96Å; C521-H523 PolarHBondContact O-N 3.26Å
524	Y	96.9	Very high	95.2	Very high	158 Å²	158	57.4 Å²	57.4	62%	0.62	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.4	172.5	-66.9	-74.5	0	0	0	110.9	K515 Y516 F517	K515-Y524 VanDerWaalsContact O-CD1 3.25Å; K515-Y524 WeakPolarHBondContact O-CD1 3.21Å; Y516-Y524 CarbonylContact O-C 3.58Å; Y516-Y524 VanDerWaalsContact O-CA 3.29Å; Y516-Y524 WeakPolarHBondContact O-CA 3.43Å; F517-Y524 HydrophobicContact CB-CD1 3.95Å; F517-Y524 HydrophobicContact CB-CE1 3.8Å; F517-Y524 HydrophobicContact CD2-CD1 4.34Å; F517-Y524 HydrophobicContact CD2-CD2 4.38Å; F517-Y524 HydrophobicContact CD2-CE1 4.27Å; F517-Y524 HydrophobicContact CD2-CE2 4.29Å; F517-Y524 HydrophobicContact CD2-CG 4.41Å
525	T	96.1	Very high	95.2	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	-179.8	179.1	-171.7	0	0	0	0	111.3	E454 K515 Y516 C518	E454-T525 WeakPolarHBondContact CG-OG1 3.47Å; E454-T525 VanDerWaalsContact OE1-CB 3.3Å; E454-T525 WeakPolarHBondContact OE1-CB 3.46Å; E454-T525 PolarHBondContact OE1-OG1 2.87Å; E454-T525 PolarHBondContact OE2-OG1 3.45Å; K515-T525 VanDerWaalsContact CB-O 3.31Å; K515-T525 WeakPolarHBondContact CB-O 3.39Å; Y516-T525 HydrophobicContact CD1-CG2 4.27Å; Y516-T525 WeakPolarHBondContact CD1-O 3.1Å; Y516-T525 HydrophobicContact CE1-CG2 3.47Å; Y516-T525 VanDerWaalsContact CE1-CG2 3.47Å; Y516-T525 PolarHBondContact N-O 3.38Å; Y516-T525 VanDerWaalsContact N-O 3.17Å; Y516-T525 PolarHBondContact O-N 3.04Å; C518-T525 HydrophobicContact CB-CG2 3.71Å
526	E	97.1	Very high	95.1	Very high	45 Å²	45	53 Å²	53	21%	0.21	25%	0.251	C	S	.	.			trans	-90.2	146.9	-179.8	-60.4	-176.6	-165.6	0	0	110.9	L453 R509 I510 V511 K515	L453-E526 HydrophobicContact CB-CB 4.48Å; L453-E526 WeakPolarHBondContact CB-O 3.35Å; L453-E526 HydrophobicContact CD1-CB 3.98Å; L453-E526 PolarHBondContact N-O 2.95Å; R509-E526 IonicContact CZ-OE2 3.96Å; R509-E526 IonicContact NE-OE2 3.7Å; R509-E526 IonicContact NH2-OE2 2.72Å; R509-E526 PolarHBondContact NH2-OE2 3.03Å; I510-E526 VanDerWaalsContact O-CA 3.27Å; I510-E526 WeakPolarHBondContact O-CA 3.33Å; I510-E526 WeakPolarHBondContact O-CB 3.47Å; V511-E526 HydrophobicContact CG1-CG 4.27Å; K515-E526 HydrophobicContact CD-CG 4.13Å; K515-E526 VanDerWaalsContact CE-CG 3.48Å; K515-E526 VanDerWaalsContact CE-OE1 3.23Å; K515-E526 WeakPolarHBondContact CE-OE1 3.46Å; K515-E526 HydrophobicContact CG-CG 4.21Å; K515-E526 IonicContact NZ-OE1 3.71Å; K515-E526 PolarHBondContact NZ-OE1 3.13Å
527	A	97.1	Very high	95.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.6	-178.1	0	0	0	0	0	113.2	T450 R451 R509 I510 Y516	T450-A527 HydrophobicContact CG2-CB 3.62Å; R451-A527 WeakPolarHBondContact O-CA 3.13Å; R451-A527 WeakPolarHBondContact O-CB 3.38Å; R509-A527 CarbonylContact C-O 3.59Å; R509-A527 VanDerWaalsContact CA-O 3.32Å; R509-A527 WeakPolarHBondContact CA-O 3.45Å; I510-A527 HydrophobicContact CB-CB 4.2Å; I510-A527 HydrophobicContact CD1-CB 4.17Å; I510-A527 HydrophobicContact CG1-CB 4.36Å; I510-A527 PolarHBondContact N-O 3.42Å; I510-A527 PolarHBondContact O-N 3.44Å; I510-A527 VanDerWaalsContact O-N 3.16Å; Y516-A527 HydrophobicContact CD1-CB 3.33Å; Y516-A527 HydrophobicContact CE1-CB 3.4Å; Y516-A527 VanDerWaalsContact CE1-CB 3.4Å; Y516-A527 HydrophobicContact CG-CB 4.11Å
528	E	96.8	Very high	95.1	Very high	66 Å²	66	49.2 Å²	49.2	31%	0.308	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.2	156	-74.3	162.6	172.2	0	0	108.5	T450 R451 L453 V507 E508	T450-E528 CarbonylContact C-O 3.49Å; T450-E528 WeakPolarHBondContact CA-O 3.49Å; R451-E528 HydrophobicContact CB-CB 4.33Å; R451-E528 VanDerWaalsContact CD-OE2 3.28Å; R451-E528 WeakPolarHBondContact CD-OE2 3.28Å; R451-E528 IonicContact CZ-OE2 3.85Å; R451-E528 PolarHBondContact N-O 3.37Å; R451-E528 IonicContact NE-OE2 2.73Å; R451-E528 IonicContact NH1-OE2 3.88Å; R451-E528 PolarHBondContact NH1-OE2 3.23Å; R451-E528 PolarHBondContact O-N 2.92Å; R451-E528 VanDerWaalsContact O-N 3.1Å; L453-E528 HydrophobicContact CD2-CG 3.98Å; V507-E528 HydrophobicContact CG1-CB 3.7Å; V507-E528 HydrophobicContact CG1-CG 3.93Å; E508-E528 CarbonylContact O-C 3.56Å
529	R	95.1	Very high	95.1	Very high	36 Å²	36	49.3 Å²	49.3	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.9	179.6	178.3	168.2	62.8	-176.3	-1.6	110.1	F380 L448 R449 V507 E508 I510	F380-R529 VanDerWaalsContact CB-NE 3.33Å; F380-R529 HydrophobicContact CD1-CG 3.62Å; F380-R529 HydrophobicContact CE1-CG 3.65Å; F380-R529 HydrophobicContact CG-CG 4.11Å; F380-R529 HydrophobicContact CZ-CG 4.24Å; L448-R529 HydrophobicContact CD1-CG 3.71Å; R449-R529 CarbonylContact O-C 3.5Å; R449-R529 WeakPolarHBondContact O-CA 3.26Å; V507-R529 CarbonylContact C-O 3.52Å; V507-R529 WeakPolarHBondContact CA-O 3.44Å; E508-R529 PolarHBondContact N-O 2.97Å; E508-R529 PolarHBondContact O-N 3.38Å; E508-R529 IonicContact OE1-NH2 3.52Å; E508-R529 PolarHBondContact OE1-NH2 3.27Å; E508-R529 IonicContact OE2-CZ 2.64Å; E508-R529 IonicContact OE2-NE 3.13Å; E508-R529 PolarHBondContact OE2-NE 3.48Å; E508-R529 IonicContact OE2-NH2 2.68Å; E508-R529 PolarHBondContact OE2-NH2 3.18Å; I510-R529 HydrophobicContact CD1-CB 3.91Å; I510-R529 HydrophobicContact CG1-CB 4.14Å
530	S	94.5	Very high	95.2	Very high	18 Å²	18	43.7 Å²	43.7	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.2	-172.9	54.1	0	0	0	0	112.6	R449	R449-S530 PolarHBondContact N-O 3.07Å; R449-S530 PolarHBondContact O-N 3.47Å
531	L	94.6	Very high	95.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.1	167.8	-73.9	174.9	0	0	0	109.3	I379 F380 L446 L448 F504	I379-L531 HydrophobicContact CD1-CD1 4.4Å; I379-L531 HydrophobicContact CG2-CD1 3.99Å; F380-L531 HydrophobicContact CD1-CG 4.23Å; F380-L531 HydrophobicContact CE1-CB 4.46Å; F380-L531 HydrophobicContact CE1-CD1 4.33Å; F380-L531 HydrophobicContact CE1-CD2 4.29Å; F380-L531 HydrophobicContact CE1-CG 3.63Å; F380-L531 HydrophobicContact CZ-CG 4.25Å; L446-L531 HydrophobicContact CD1-CD2 4.48Å; L448-L531 HydrophobicContact CB-CD2 4.1Å; L448-L531 HydrophobicContact CD1-CD2 4.19Å; F504-L531 HydrophobicContact CE1-CD1 4.3Å; F504-L531 HydrophobicContact CE2-CD1 4.31Å; F504-L531 HydrophobicContact CZ-CD1 4.02Å
532	L	93.4	Very high	95.4	Very high	29 Å²	29	37.9 Å²	37.9	15%	0.152	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.5	176.4	-62.5	171.4	0	0	0	110.2	L446 V447 W578 T580	L446-L532 CarbonylContact C-O 3.5Å; L446-L532 VanDerWaalsContact CA-O 3.32Å; L446-L532 WeakPolarHBondContact CA-O 3.44Å; V447-L532 PolarHBondContact N-O 2.73Å; V447-L532 PolarHBondContact O-N 2.72Å; L532-W578 CarbonylContact C-O 3.51Å; L532-W578 VanDerWaalsContact CA-O 3.27Å; L532-W578 WeakPolarHBondContact CA-O 3.08Å; L532-T580 HydrophobicContact CB-CG2 3.73Å; L532-T580 HydrophobicContact CD1-CG2 4.27Å
533	F	93.5	Very high	95.4	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.2	172.1	-60.7	-80.1	0	0	0	110.7	L446 F465 I468 F504 T536 W578 C579 T580	L446-F533 HydrophobicContact CD2-CD1 3.68Å; L446-F533 HydrophobicContact CD2-CE1 3.78Å; L446-F533 HydrophobicContact CD2-CG 4.3Å; L446-F533 HydrophobicContact CD2-CZ 4.46Å; F465-F533 AromaticContact CE1-CD1 3.86Å; F465-F533 HydrophobicContact CE1-CD1 3.86Å; F465-F533 HydrophobicContact CE1-CE1 4.12Å; F465-F533 HydrophobicContact CE2-CE1 4.41Å; F465-F533 AromaticContact CZ-CD1 3.7Å; F465-F533 HydrophobicContact CZ-CD1 3.7Å; F465-F533 AromaticContact CZ-CE1 3.69Å; F465-F533 HydrophobicContact CZ-CE1 3.69Å; I468-F533 HydrophobicContact CD1-CE1 4.37Å; I468-F533 HydrophobicContact CD1-CZ 3.87Å; I468-F533 HydrophobicContact CG2-CE1 3.92Å; I468-F533 HydrophobicContact CG2-CZ 4.25Å; F504-F533 HydrophobicContact CD1-CZ 4.34Å; F504-F533 HydrophobicContact CE1-CE1 4.32Å; F504-F533 HydrophobicContact CE1-CE2 4.48Å; F504-F533 AromaticContact CE1-CZ 3.8Å; F504-F533 HydrophobicContact CE1-CZ 3.8Å; F533-T536 HydrophobicContact CB-CG2 3.98Å; F533-T536 HydrophobicContact CD1-CG2 4.4Å; F533-T536 HydrophobicContact CG-CG2 4.28Å; F533-W578 HydrophobicContact CD2-CB 3.82Å; F533-W578 HydrophobicContact CE2-CB 3.98Å; F533-W578 PolarHBondContact N-O 3.1Å; F533-C579 CarbonylContact O-C 3.59Å; F533-C579 VanDerWaalsContact O-CA 3.26Å; F533-C579 WeakPolarHBondContact O-CA 3.15Å; F533-T580 PolarHBondContact O-N 3.33Å
534	D	92.8	Very high	95.4	Very high	44 Å²	44	27.5 Å²	27.5	24%	0.235	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-29.2	179.4	-175.7	70.9	0	0	0	112.1	R445 V447 R462 T580	R445-D534 HydrophobicContact CB-CB 4.48Å; R445-D534 WeakPolarHBondContact CD-OD2 3.24Å; R445-D534 HydrophobicContact CG-CB 4.19Å; R445-D534 PolarHBondContact O-N 3.05Å; V447-D534 HydrophobicContact CG2-CB 3.73Å; R462-D534 IonicContact CZ-OD1 3.93Å; R462-D534 IonicContact CZ-OD2 3.8Å; R462-D534 IonicContact NH1-OD1 2.67Å; R462-D534 PolarHBondContact NH1-OD1 3.31Å; R462-D534 IonicContact NH1-OD2 2.82Å; R462-D534 PolarHBondContact NH1-OD2 3.05Å; R462-D534 IonicContact NH2-OD1 2.91Å; D534-T580 HydrophobicContact CB-CG2 4.05Å; D534-T580 PolarHBondContact OD1-OG1 3.14Å
535	K	92.4	Very high	95.3	Very high	82 Å²	82	23.7 Å²	23.7	36%	0.357	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.5	164.7	-178.8	-156.3	172.2	-158	0	107.6	E439 Q443 G444 R445	E439-K535 PolarHBondContact O-NZ 3.12Å; Q443-K535 WeakPolarHBondContact O-CE 3.48Å; Q443-K535 PolarHBondContact O-NZ 3.35Å; G444-K535 CarbonylContact C-O 3.57Å; G444-K535 VanDerWaalsContact CA-O 3.28Å; G444-K535 WeakPolarHBondContact CA-O 3.32Å; R445-K535 HydrophobicContact CB-CB 3.84Å; R445-K535 PolarHBondContact N-O 2.74Å; R445-K535 PolarHBondContact O-N 2.79Å
536	T	92.3	Very high	95.1	Very high	19 Å²	19	23.6 Å²	23.6	12%	0.117	11%	0.112	C	C	.	.			trans	-101.6	147.7	168.8	59	0	0	0	0	110.3	F533 L575 Y590	F533-T536 HydrophobicContact CB-CG2 3.98Å; F533-T536 HydrophobicContact CD1-CG2 4.4Å; F533-T536 HydrophobicContact CG-CG2 4.28Å; T536-L575 HydrophobicContact CG2-CD1 3.84Å; T536-Y590 WeakPolarHBondContact CB-OH 3.31Å; T536-Y590 PolarHBondContact OG1-OH 2.85Å
537	P	93.8	Very high	94.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.108	C	C	.	.			trans	-78.4	174.1	-178.4	33.1	-36.9	0	0	0	112.9	F442 V539 I540 Y590	F442-P537 VanDerWaalsContact C-CB 3.43Å; F442-P537 VanDerWaalsContact O-CB 3.29Å; F442-P537 WeakPolarHBondContact O-CB 3.29Å; P537-V539 VanDerWaalsContact CG-O 3.27Å; P537-V539 WeakPolarHBondContact CG-O 3.35Å; P537-I540 HydrophobicContact CG-CB 3.86Å; P537-I540 HydrophobicContact CG-CG1 4.31Å; P537-Y590 WeakPolarHBondContact O-CE1 3.42Å; P537-Y590 PolarHBondContact O-OH 3.46Å
538	E	94.1	Very high	94	Very high	54 Å²	54	24.9 Å²	24.9	25%	0.252	12%	0.122	S	C	.	.	S	Bend	trans	-71.4	-33	170.8	-87.5	170.2	-163.5	0	0	112.8	K440 L441 R800	K440-E538 WeakPolarHBondContact CG-OE2 3.44Å; K440-E538 PolarHBondContact O-N 2.97Å; L441-E538 HydrophobicContact CD2-CB 4.45Å; L441-E538 PolarHBondContact O-N 3.2Å; E538-R800 WeakPolarHBondContact O-CB 3.29Å; E538-R800 PolarHBondContact O-N 3.21Å; E538-R800 IonicContact OE1-CZ 2.76Å; E538-R800 IonicContact OE1-NH1 3.88Å; E538-R800 IonicContact OE1-NH2 3.17Å; E538-R800 PolarHBondContact OE1-NH2 2.86Å
539	V	96.3	Very high	92.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.2	169.8	171.2	0	0	0	0	108.3	L441 F442 P537 F593 Y798 K799	L441-V539 PolarHBondContact O-N 3.26Å; F442-V539 HydrophobicContact CD1-CB 4.21Å; F442-V539 HydrophobicContact CD1-CG1 4.19Å; F442-V539 HydrophobicContact CE1-CB 4.13Å; F442-V539 HydrophobicContact CE1-CG1 3.91Å; P537-V539 VanDerWaalsContact CG-O 3.27Å; P537-V539 WeakPolarHBondContact CG-O 3.35Å; V539-F593 HydrophobicContact CG1-CE1 3.81Å; V539-F593 HydrophobicContact CG1-CZ 4.15Å; V539-F593 HydrophobicContact CG2-CE1 4.1Å; V539-F593 HydrophobicContact CG2-CZ 4.43Å; V539-Y798 CarbonylContact C-O 3.6Å; V539-Y798 VanDerWaalsContact CA-O 3.3Å; V539-Y798 WeakPolarHBondContact CA-O 3.29Å; V539-K799 HydrophobicContact CG2-CB 4.29Å
540	I	96.3	Very high	91.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.9	172.5	-170.4	171.5	0	0	0	110.1	F465 I468 P537 I542 L575 Y590 Y798	F465-I540 HydrophobicContact CE2-CD1 4.35Å; F465-I540 HydrophobicContact CE2-CG1 4.45Å; I468-I540 HydrophobicContact CD1-CD1 3.94Å; I468-I540 HydrophobicContact CG1-CD1 4.27Å; P537-I540 HydrophobicContact CG-CB 3.86Å; P537-I540 HydrophobicContact CG-CG1 4.31Å; I540-I542 HydrophobicContact CG1-CG1 4.31Å; I540-L575 HydrophobicContact CD1-CD1 3.62Å; I540-L575 HydrophobicContact CG2-CD1 4.48Å; I540-Y590 HydrophobicContact CB-CE1 4.4Å; I540-Y590 HydrophobicContact CG2-CD1 3.8Å; I540-Y590 HydrophobicContact CG2-CE1 3.96Å; I540-Y590 HydrophobicContact CG2-CG 4.26Å; I540-Y798 PolarHBondContact N-O 3.05Å; I540-Y798 PolarHBondContact O-N 3.22Å; I540-Y798 VanDerWaalsContact O-N 3.07Å
541	T	98.1	Very high	89.2	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.3	171	-53.1	0	0	0	0	109.2	L217 D467 I468 L796 F797	L217-T541 HydrophobicContact CD2-CG2 3.79Å; D467-T541 VanDerWaalsContact CA-O 3.32Å; D467-T541 WeakPolarHBondContact CA-O 3.41Å; D467-T541 HydrophobicContact CB-CG2 3.84Å; I468-T541 PolarHBondContact N-O 3.04Å; T541-L796 WeakPolarHBondContact CA-O 3.37Å; T541-F797 HydrophobicContact CG2-CD1 4.13Å; T541-F797 HydrophobicContact CG2-CE1 3.61Å; T541-F797 HydrophobicContact CG2-CZ 4.04Å
542	I	98.2	Very high	87.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	111.5	175.9	-51.7	-178.6	0	0	0	109.1	I468 V470 L497 I501 I540 L544 L573 L795 L796 Y798	I468-I542 HydrophobicContact CD1-CD1 4.3Å; I468-I542 HydrophobicContact CD1-CG1 4.09Å; I468-I542 HydrophobicContact CG1-CB 4.32Å; I468-I542 HydrophobicContact CG1-CG1 3.87Å; I468-I542 HydrophobicContact CG1-CG2 4.18Å; I468-I542 CarbonylContact O-C 3.55Å; I468-I542 WeakPolarHBondContact O-CA 3.4Å; V470-I542 HydrophobicContact CG1-CG2 4.01Å; V470-I542 HydrophobicContact CG2-CG2 3.76Å; L497-I542 HydrophobicContact CD1-CG2 4.23Å; L497-I542 HydrophobicContact CD2-CD1 4.31Å; I501-I542 HydrophobicContact CD1-CD1 4.1Å; I540-I542 HydrophobicContact CG1-CG1 4.31Å; I542-L544 HydrophobicContact CG2-CD2 4.28Å; I542-L573 HydrophobicContact CD1-CD2 3.59Å; I542-L795 WeakPolarHBondContact O-CA 3.33Å; I542-L796 HydrophobicContact CB-CB 4.28Å; I542-L796 PolarHBondContact N-O 3.01Å; I542-L796 PolarHBondContact O-N 3.36Å; I542-Y798 HydrophobicContact CD1-CD2 3.98Å; I542-Y798 HydrophobicContact CD1-CE2 4.09Å; I542-Y798 HydrophobicContact CG1-CD2 4.48Å
543	H	97.9	Very high	85.4	Confident	15 Å²	15	38.5 Å²	38.5	7%	0.069	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124	172	163.6	-153.2	0	0	0	109.8	Q214 I468 S469 V470 Y794 L795	Q214-H543 HydrophobicContact CG-CB 4.28Å; Q214-H543 PolarHBondContact NE2-ND1 3.3Å; Q214-H543 VanDerWaalsContact NE2-ND1 3.12Å; Q214-H543 PolarHBondContact OE1-CE1 3.35Å; Q214-H543 PolarHBondContact OE1-ND1 2.88Å; I468-H543 PolarHBondContact O-N 3Å; S469-H543 CarbonylContact C-O 2.95Å; S469-H543 WeakPolarHBondContact CA-O 3.49Å; S469-H543 PolarHBondContact OG-ND1 2.87Å; V470-H543 PolarHBondContact N-O 3.36Å; H543-Y794 AromaticContact CD2-CE2 3.52Å; H543-Y794 AromaticContact CD2-CZ 3.7Å; H543-Y794 AromaticContact NE2-CE2 3.32Å; H543-Y794 VanDerWaalsContact NE2-CE2 3.32Å; H543-Y794 WeakPolarHBondContact NE2-CE2 3.35Å; H543-Y794 AromaticContact NE2-CZ 3.48Å; H543-Y794 PolarHBondContact NE2-OH 3.1Å; H543-L795 HydrophobicContact CB-CD2 3.68Å
544	L	96.1	Very high	83.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	108.8	171.2	-56.5	-169.1	0	0	0	109.3	V470 V472 L497 I542 R546 L567 P793 Y794 L796	V470-L544 HydrophobicContact CG2-CD2 3.49Å; V470-L544 VanDerWaalsContact CG2-CD2 3.49Å; V472-L544 HydrophobicContact CG2-CB 3.82Å; L497-L544 HydrophobicContact CD1-CD2 3.86Å; I542-L544 HydrophobicContact CG2-CD2 4.28Å; L544-R546 HydrophobicContact CB-CG 4.26Å; L544-R546 PolarHBondContact O-N 3.3Å; L544-L567 HydrophobicContact CD1-CD2 3.89Å; L544-L567 HydrophobicContact CD2-CD2 3.71Å; L544-L567 HydrophobicContact CG-CD2 4.43Å; L544-P793 HydrophobicContact CD1-CB 4.08Å; L544-Y794 PolarHBondContact N-O 3.23Å; L544-L796 HydrophobicContact CD1-CD1 4.35Å; L544-L796 HydrophobicContact CD2-CD1 4.1Å; L544-L796 HydrophobicContact CG-CD1 4.37Å; L544-L796 HydrophobicContact CG-CG 4.46Å
545	K	94.2	Very high	81.4	Confident	77 Å²	77	46.8 Å²	46.8	34%	0.335	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	78.7	178.9	-71.2	168.5	165.3	148.1	0	111.4	S469 V470	S469-K545 VanDerWaalsContact O-CE 3.24Å; S469-K545 WeakPolarHBondContact O-CE 3.41Å; S469-K545 PolarHBondContact O-NZ 3.15Å; V470-K545 VanDerWaalsContact O-CB 3.27Å; V470-K545 WeakPolarHBondContact O-CB 3.38Å; V470-K545 WeakPolarHBondContact O-CG 3.33Å; V470-K545 PolarHBondContact O-N 2.91Å
546	R	92.1	Very high	79.3	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	28%	0.279	C	S	.	.			trans	-91.8	-13.5	-179.7	-71	-173.1	176.6	-78.5	-2	113.9	V472 L544 K562 V563 T565 T792 P793	V472-R546 HydrophobicContact CB-CG 4.31Å; V472-R546 HydrophobicContact CG2-CG 3.91Å; L544-R546 HydrophobicContact CB-CG 4.26Å; L544-R546 PolarHBondContact O-N 3.3Å; R546-K562 HydrophobicContact CB-CG 4.5Å; R546-K562 CarbonylContact O-C 3.54Å; R546-K562 WeakPolarHBondContact O-CA 3.24Å; R546-V563 PolarHBondContact NH1-O 3.33Å; R546-V563 WeakPolarHBondContact O-CB 3.46Å; R546-V563 PolarHBondContact O-N 2.92Å; R546-T565 PolarHBondContact NH1-O 3.49Å; R546-T565 PolarHBondContact NH2-O 2.86Å; R546-T792 VanDerWaalsContact CD-OG1 3.32Å; R546-T792 WeakPolarHBondContact CD-OG1 3.3Å; R546-P793 WeakPolarHBondContact CD-O 3.33Å; R546-P793 PolarHBondContact NE-O 3.32Å
547	F	89.4	Confident	77.4	Confident	31 Å²	31	58.2 Å²	58.2	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.3	176.5	-61.4	-73.1	0	0	0	110.5	S561 K562 H598 I603 Y794	F547-S561 WeakPolarHBondContact CA-O 3.08Å; F547-K562 HydrophobicContact CD1-CB 4.01Å; F547-K562 HydrophobicContact CD1-CG 4.2Å; F547-K562 HydrophobicContact CE1-CB 3.81Å; F547-K562 HydrophobicContact CE1-CD 4.07Å; F547-K562 HydrophobicContact CE1-CG 3.78Å; F547-K562 HydrophobicContact CZ-CD 4.36Å; F547-K562 HydrophobicContact CZ-CG 4.34Å; F547-H598 AromaticContact CZ-CE1 3.82Å; F547-H598 AromaticContact CZ-ND1 3.61Å; F547-I603 HydrophobicContact CD1-CB 4.09Å; F547-I603 HydrophobicContact CD2-CB 3.92Å; F547-I603 HydrophobicContact CD2-CD1 3.51Å; F547-I603 HydrophobicContact CD2-CG1 3.8Å; F547-I603 HydrophobicContact CE1-CB 3.98Å; F547-I603 VanDerWaalsContact CE1-N 3.34Å; F547-I603 HydrophobicContact CE2-CB 3.8Å; F547-I603 HydrophobicContact CE2-CD1 3.81Å; F547-I603 HydrophobicContact CE2-CG1 3.59Å; F547-I603 HydrophobicContact CG-CB 4.04Å; F547-I603 HydrophobicContact CG-CD1 4.16Å; F547-I603 HydrophobicContact CG-CG1 4.4Å; F547-I603 HydrophobicContact CZ-CB 3.82Å; F547-I603 HydrophobicContact CZ-CG1 4.05Å; F547-Y794 AromaticContact CD2-CE2 3.91Å; F547-Y794 HydrophobicContact CD2-CE2 3.91Å; F547-Y794 HydrophobicContact CE2-CD2 4.22Å; F547-Y794 AromaticContact CE2-CE2 3.79Å; F547-Y794 HydrophobicContact CE2-CE2 3.79Å
548	S	81.4	Confident	75.5	Confident	42 Å²	42	60.2 Å²	60.2	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.3	-179.2	-170.2	0	0	0	0	110.3	S550 S561	S548-S550 PolarHBondContact O-N 3.13Å; S548-S561 PolarHBondContact N-O 3.21Å; S548-S561 PolarHBondContact O-N 3.41Å; S548-S561 PolarHBondContact O-OG 3Å
549	A	72.9	Confident	74	Confident	53 Å²	53	60 Å²	60	44%	0.438	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.6	171.7	0	0	0	0	0	109	S551 L560	A549-S551 PolarHBondContact O-N 3.19Å; A549-L560 HydrophobicContact CB-CD2 4.24Å
550	S	61.2	Low	73	Confident	57 Å²	57	63.7 Å²	63.7	40%	0.399	36%	0.362	S	S	.	.			trans	-68.2	121.5	175.1	-177.1	0	0	0	0	109.9	S548	S548-S550 PolarHBondContact O-N 3.13Å
551	S	51.9	Low	72.2	Confident	38 Å²	38	66.2 Å²	66.2	27%	0.266	38%	0.379	S	S	.	.			trans	-100.3	32.8	-179.2	-167.2	0	0	0	0	113.3	S372 S373 A549 E553	S372-S551 WeakPolarHBondContact CA-OG 3.14Å; S372-S551 WeakPolarHBondContact CB-OG 3.5Å; S373-S551 VanDerWaalsContact CB-CB 3.44Å; S373-S551 PolarHBondContact N-OG 3.12Å; S373-S551 WeakPolarHBondContact OG-CB 3.31Å; A549-S551 PolarHBondContact O-N 3.19Å; S551-E553 WeakPolarHBondContact O-CG 3.33Å; S551-E553 PolarHBondContact O-N 2.96Å
552	L	55.3	Low	71.8	Confident	133 Å²	133	67 Å²	67	70%	0.696	38%	0.383	S	S	*	.			trans	-65.2	102.6	157.4	-75.4	169.4	0	0	0	107.1	V554	L552-V554 PolarHBondContact O-N 3.16Å
553	E	52.8	Low	71.3	Confident	154 Å²	154	67.2 Å²	67.2	72%	0.72	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	18	-168	-53.1	-169.9	144.3	0	0	114.6	S372 S551	S372-E553 WeakPolarHBondContact CB-OE1 3.43Å; S372-E553 PolarHBondContact OG-OE1 2.79Å; S551-E553 WeakPolarHBondContact O-CG 3.33Å; S551-E553 PolarHBondContact O-N 2.96Å
554	V	53.7	Low	70.9	Confident	134 Å²	134	68.5 Å²	68.5	81%	0.812	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-21.8	-169.5	-169.6	0	0	0	0	112.6	L552	L552-V554 PolarHBondContact O-N 3.16Å
555	D	48	Very low	70.5	Confident	88 Å²	88	68.8 Å²	68.8	47%	0.471	39%	0.393	S	S	.	.			trans	-117.4	103.9	179.7	-177.3	11.7	0	0	0	112.8	Y557 A558	D555-Y557 PolarHBondContact O-N 3.03Å; D555-Y557 VanDerWaalsContact O-N 3.1Å; D555-Y557 WeakPolarHBondContact OD1-CA 3.43Å; D555-Y557 WeakPolarHBondContact OD1-CB 3.49Å; D555-Y557 PolarHBondContact OD1-N 3.26Å; D555-A558 HydrophobicContact CB-CB 4.05Å; D555-A558 WeakPolarHBondContact O-CB 3.3Å; D555-A558 PolarHBondContact O-N 2.97Å; D555-A558 VanDerWaalsContact O-N 3.16Å; D555-A558 PolarHBondContact OD2-N 3.04Å
556	P	50.3	Low	70.1	Confident	126 Å²	126	66 Å²	66	82%	0.818	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.6	173	-23.2	35.1	0	0	0	115.6
557	Y	50.7	Low	70	Confident	214 Å²	214	66 Å²	66	84%	0.839	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	3.1	176.9	-65.3	-88.6	0	0	0	113.5	D555 G559	D555-Y557 PolarHBondContact O-N 3.03Å; D555-Y557 VanDerWaalsContact O-N 3.1Å; D555-Y557 WeakPolarHBondContact OD1-CA 3.43Å; D555-Y557 WeakPolarHBondContact OD1-CB 3.49Å; D555-Y557 PolarHBondContact OD1-N 3.26Å; Y557-G559 PolarHBondContact O-N 3.35Å
558	A	54.9	Low	70	Confident	44 Å²	44	68.9 Å²	68.9	36%	0.364	40%	0.396	S	S	.	.			trans	-63.3	102.4	177.8	0	0	0	0	0	111.5	D555	D555-A558 HydrophobicContact CB-CB 4.05Å; D555-A558 WeakPolarHBondContact O-CB 3.3Å; D555-A558 PolarHBondContact O-N 2.97Å; D555-A558 VanDerWaalsContact O-N 3.16Å; D555-A558 PolarHBondContact OD2-N 3.04Å
559	G	62.1	Low	70.5	Confident	49 Å²	49	67.1 Å²	67.1	51%	0.505	38%	0.384	S	S	.	.			trans	-75.4	-174.5	177.4	0	0	0	0	0	113.9	Y557 S561	Y557-G559 PolarHBondContact O-N 3.35Å; G559-S561 PolarHBondContact O-N 3.18Å; G559-S561 VanDerWaalsContact O-N 3.16Å
560	L	74.7	Confident	71.4	Confident	81 Å²	81	66.5 Å²	66.5	42%	0.424	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	113.7	170.3	-71	167.6	0	0	0	110.3	A549 I603	A549-L560 HydrophobicContact CB-CD2 4.24Å; L560-I603 HydrophobicContact CD1-CG2 4.05Å
561	S	80.1	Confident	72.9	Confident	52 Å²	52	65.7 Å²	65.7	36%	0.364	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	148.1	173.4	49.5	0	0	0	0	111.8	F547 S548 G559	F547-S561 WeakPolarHBondContact CA-O 3.08Å; S548-S561 PolarHBondContact N-O 3.21Å; S548-S561 PolarHBondContact O-N 3.41Å; S548-S561 PolarHBondContact O-OG 3Å; G559-S561 PolarHBondContact O-N 3.18Å; G559-S561 VanDerWaalsContact O-N 3.16Å
562	K	89.3	Confident	75	Confident	19 Å²	19	68.1 Å²	68.1	8%	0.083	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.4	-179.9	-171.3	-172.4	175.4	-132	0	112.6	R546 F547 N564 H598 G600 V601 S790 T792	R546-K562 HydrophobicContact CB-CG 4.5Å; R546-K562 CarbonylContact O-C 3.54Å; R546-K562 WeakPolarHBondContact O-CA 3.24Å; F547-K562 HydrophobicContact CD1-CB 4.01Å; F547-K562 HydrophobicContact CD1-CG 4.2Å; F547-K562 HydrophobicContact CE1-CB 3.81Å; F547-K562 HydrophobicContact CE1-CD 4.07Å; F547-K562 HydrophobicContact CE1-CG 3.78Å; F547-K562 HydrophobicContact CZ-CD 4.36Å; F547-K562 HydrophobicContact CZ-CG 4.34Å; K562-N564 VanDerWaalsContact CD-OD1 3.28Å; K562-N564 WeakPolarHBondContact CD-OD1 3.29Å; K562-N564 VanDerWaalsContact CE-OD1 3.25Å; K562-N564 WeakPolarHBondContact CE-OD1 3.31Å; K562-N564 PolarHBondContact NZ-OD1 2.87Å; K562-N564 PolarHBondContact O-N 2.72Å; K562-N564 PolarHBondContact O-ND2 3.4Å; K562-H598 PolarHBondContact NZ-O 3.39Å; K562-H598 VanDerWaalsContact NZ-O 3.15Å; K562-G600 WeakPolarHBondContact CD-O 3.32Å; K562-V601 WeakPolarHBondContact CB-O 3.24Å; K562-S790 PolarHBondContact NZ-O 2.88Å; K562-T792 WeakPolarHBondContact CE-OG1 3.33Å; K562-T792 PolarHBondContact NZ-OG1 3.21Å
563	V	88.8	Confident	76.8	Confident	4 Å²	4	62 Å²	62	2%	0.024	35%	0.348	C	S	.	.			trans	-69.6	105.2	169.6	178.8	0	0	0	0	109.4	V472 D474 R546	V472-V563 HydrophobicContact CB-CG1 4.01Å; V472-V563 HydrophobicContact CG1-CG1 3.6Å; D474-V563 WeakPolarHBondContact OD1-CG1 3.14Å; R546-V563 PolarHBondContact NH1-O 3.33Å; R546-V563 WeakPolarHBondContact O-CB 3.46Å; R546-V563 PolarHBondContact O-N 2.92Å
564	N	88.6	Confident	78.7	Confident	41 Å²	41	57 Å²	57	22%	0.219	33%	0.33	C	S	.	.			trans	-97.2	4.5	-179	-67.2	-52.3	0	0	0	113.8	K562 C788 S789	K562-N564 VanDerWaalsContact CD-OD1 3.28Å; K562-N564 WeakPolarHBondContact CD-OD1 3.29Å; K562-N564 VanDerWaalsContact CE-OD1 3.25Å; K562-N564 WeakPolarHBondContact CE-OD1 3.31Å; K562-N564 PolarHBondContact NZ-OD1 2.87Å; K562-N564 PolarHBondContact O-N 2.72Å; K562-N564 PolarHBondContact O-ND2 3.4Å; N564-C788 HydrophobicContact CB-CB 4.27Å; N564-S789 WeakPolarHBondContact CB-O 3.49Å; N564-S789 PolarHBondContact OD1-O 2.95Å; N564-S789 VanDerWaalsContact OD1-O 3.14Å
565	T	87.3	Confident	80.5	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.037	29%	0.291	C	S	.	.			trans	-50	129.4	173.1	-89.5	0	0	0	0	111.4	V472 D475 K495 R546	V472-T565 HydrophobicContact CG1-CG2 4.33Å; D475-T565 PolarHBondContact N-OG1 2.95Å; D475-T565 WeakPolarHBondContact OD2-CB 3.43Å; D475-T565 WeakPolarHBondContact OD2-CG2 3.46Å; D475-T565 PolarHBondContact OD2-OG1 3.16Å; K495-T565 HydrophobicContact CD-CG2 4.35Å; R546-T565 PolarHBondContact NH1-O 3.49Å; R546-T565 PolarHBondContact NH2-O 2.86Å
566	P	86.8	Confident	82.4	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.123	28%	0.276	C	S	.	.			trans	-56.9	143.7	171	-25.2	35.5	0	0	0	111.9	P785	P566-P785 VanDerWaalsContact CB-O 3.31Å; P566-P785 WeakPolarHBondContact CB-O 3.14Å; P566-P785 WeakPolarHBondContact CG-O 3.13Å
567	L	89.1	Confident	84.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.			trans	-133.7	113.2	174.4	-171.9	79.2	0	0	0	108.4	V472 K495 L497 W499 A500 L544 T569	V472-L567 HydrophobicContact CG2-CD2 4.47Å; K495-L567 HydrophobicContact CB-CD1 3.85Å; K495-L567 WeakPolarHBondContact O-CA 3.48Å; L497-L567 HydrophobicContact CD1-CD2 4.1Å; W499-L567 HydrophobicContact CE3-CD1 4.46Å; A500-L567 HydrophobicContact CB-CD1 4.33Å; A500-L567 HydrophobicContact CB-CD2 4.22Å; L544-L567 HydrophobicContact CD1-CD2 3.89Å; L544-L567 HydrophobicContact CD2-CD2 3.71Å; L544-L567 HydrophobicContact CG-CD2 4.43Å; L567-T569 PolarHBondContact O-N 3.04Å; L567-T569 PolarHBondContact O-OG1 2.86Å
568	Q	89.5	Confident	86.2	Confident	92 Å²	92	39.6 Å²	39.6	43%	0.43	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-65.9	113.7	-174.2	-164.9	-175.3	13.6	0	0	110.4	M494 K495 T496 L497	M494-Q568 HydrophobicContact CE-CB 3.96Å; M494-Q568 HydrophobicContact CE-CG 4Å; M494-Q568 HydrophobicContact CG-CB 4.46Å; M494-Q568 HydrophobicContact SD-CB 4.26Å; K495-Q568 PolarHBondContact O-N 3.27Å; T496-Q568 HydrophobicContact CG2-CB 4.21Å; L497-Q568 PolarHBondContact N-O 3.34Å
569	T	92.1	Very high	87.9	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.037	22%	0.22	C	C	.	.			trans	-106.4	110.3	-172.7	-62.7	0	0	0	0	109.3	L567 L592 C784 L796	L567-T569 PolarHBondContact O-N 3.04Å; L567-T569 PolarHBondContact O-OG1 2.86Å; T569-L592 HydrophobicContact CG2-CD2 4.11Å; T569-C784 PolarHBondContact N-SG 3.35Å; T569-L796 HydrophobicContact CG2-CD1 3.75Å; T569-L796 HydrophobicContact CG2-CD2 3.92Å; T569-L796 HydrophobicContact CG2-CG 4.46Å
570	P	92.6	Very high	89	Confident	40 Å²	40	37.4 Å²	37.4	26%	0.26	21%	0.206	S	C	.	.			trans	-80.5	147.9	-176.2	33.6	-36	0	0	0	111.9	T572 Y798	P570-T572 WeakPolarHBondContact CB-O 3.46Å; P570-T572 WeakPolarHBondContact CG-O 3.34Å; P570-T572 PolarHBondContact O-N 2.97Å; P570-Y798 WeakPolarHBondContact O-CE1 3.43Å; P570-Y798 PolarHBondContact O-OH 3.23Å
571	L	93.1	Very high	89.3	Confident	40 Å²	40	40.8 Å²	40.8	21%	0.209	22%	0.217	C	C	.	.	S	Bend	trans	-65.4	-27.7	173.8	-65.8	179.7	0	0	0	112.8	E591 L592 W763 E776 F779 L780	L571-E591 WeakPolarHBondContact O-CA 3.36Å; L571-L592 HydrophobicContact CD2-CD2 4.34Å; L571-L592 PolarHBondContact O-N 2.82Å; L571-W763 HydrophobicContact CD2-CZ2 4Å; L571-E776 HydrophobicContact CD1-CG 4.47Å; L571-F779 HydrophobicContact CD2-CD1 4.48Å; L571-F779 HydrophobicContact CD2-CE1 3.83Å; L571-L780 HydrophobicContact CD1-CD2 4.34Å; L571-L780 HydrophobicContact CD2-CD2 3.95Å; L571-L780 HydrophobicContact CG-CD2 3.99Å
572	T	94.6	Very high	88.4	Confident	88 Å²	88	42.5 Å²	42.5	54%	0.54	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.4	175.7	36	0	0	0	0	111.4	P570 Y590 I801	P570-T572 WeakPolarHBondContact CB-O 3.46Å; P570-T572 WeakPolarHBondContact CG-O 3.34Å; P570-T572 PolarHBondContact O-N 2.97Å; T572-Y590 CarbonylContact C-O 3.51Å; T572-Y590 VanDerWaalsContact CA-O 3.26Å; T572-Y590 WeakPolarHBondContact CA-O 3.46Å; T572-I801 HydrophobicContact CG2-CD1 4.21Å
573	L	93.9	Very high	86.7	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.9	-176.9	179.3	62.9	0	0	0	110.5	L497 I501 I542 L575 Y590 Y798	L497-L573 HydrophobicContact CD2-CD2 4.42Å; I501-L573 HydrophobicContact CD1-CD1 3.75Å; I501-L573 HydrophobicContact CD1-CD2 3.96Å; I501-L573 HydrophobicContact CD1-CG 4.47Å; I542-L573 HydrophobicContact CD1-CD2 3.59Å; L573-L575 HydrophobicContact CD2-CD2 4.05Å; L573-L575 HydrophobicContact CG-CD2 4.18Å; L573-Y590 PolarHBondContact N-O 3.1Å; L573-Y590 PolarHBondContact O-N 3.43Å; L573-Y798 HydrophobicContact CB-CD1 3.81Å; L573-Y798 HydrophobicContact CB-CE1 3.6Å; L573-Y798 HydrophobicContact CD2-CD1 4.33Å; L573-Y798 HydrophobicContact CD2-CD2 4.1Å; L573-Y798 HydrophobicContact CD2-CE1 4.33Å; L573-Y798 HydrophobicContact CD2-CE2 4.08Å; L573-Y798 HydrophobicContact CD2-CG 4.23Å
574	S	92.9	Very high	85	Confident	48 Å²	48	50.1 Å²	50.1	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.2	172.5	168.4	0	0	0	0	108.4	N576	S574-N576 PolarHBondContact OG-ND2 3.13Å
575	L	91.3	Very high	83.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.302	C	S	.	.			trans	-100.2	-5.1	176.9	-61.7	176.1	0	0	0	113.2	I501 T536 I540 L573 E577 W578 C579 Q588 Y590	I501-L575 HydrophobicContact CD1-CD2 4.38Å; T536-L575 HydrophobicContact CG2-CD1 3.84Å; I540-L575 HydrophobicContact CD1-CD1 3.62Å; I540-L575 HydrophobicContact CG2-CD1 4.48Å; L573-L575 HydrophobicContact CD2-CD2 4.05Å; L573-L575 HydrophobicContact CG-CD2 4.18Å; L575-E577 PolarHBondContact O-N 3.36Å; L575-W578 HydrophobicContact CD2-CE3 4.3Å; L575-W578 HydrophobicContact CD2-CZ3 4.26Å; L575-W578 PolarHBondContact O-N 3.14Å; L575-C579 PolarHBondContact O-SG 2.76Å; L575-Q588 PolarHBondContact N-O 2.9Å; L575-Y590 HydrophobicContact CD1-CD2 4.24Å; L575-Y590 HydrophobicContact CD1-CE2 3.85Å; L575-Y590 HydrophobicContact CG-CD2 4.46Å; L575-Y590 HydrophobicContact CG-CE2 4.41Å
576	N	88.3	Confident	81.7	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.144	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-50.1	-34.7	-170.7	-69.9	-82.4	0	0	0	114.6	S574 W578 C579 Q588	S574-N576 PolarHBondContact OG-ND2 3.13Å; N576-W578 PolarHBondContact O-N 3.18Å; N576-C579 PolarHBondContact O-N 3.17Å; N576-Q588 WeakPolarHBondContact OD1-CB 3.41Å; N576-Q588 VanDerWaalsContact OD1-CD 3.25Å; N576-Q588 PolarHBondContact OD1-NE2 2.64Å; N576-Q588 PolarHBondContact OD1-OE1 3.38Å
577	E	89.3	Confident	80.6	Confident	146 Å²	146	55.9 Å²	55.9	68%	0.682	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.3	-26.3	-177.3	-63.2	-176.9	-175.2	0	0	113.4	L575	L575-E577 PolarHBondContact O-N 3.36Å
578	W	90.9	Very high	80.1	Confident	24 Å²	24	56.8 Å²	56.8	9%	0.091	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-110.4	11.7	-176.3	-50.4	-66.4	0	0	0	112.9	T498 I501 A505 L532 F533 L575 N576	T498-W578 HydrophobicContact CG2-CH2 3.85Å; T498-W578 HydrophobicContact CG2-CZ2 4.3Å; I501-W578 HydrophobicContact CB-CE3 4.46Å; I501-W578 HydrophobicContact CB-CH2 3.86Å; I501-W578 HydrophobicContact CB-CZ2 4.26Å; I501-W578 HydrophobicContact CB-CZ3 3.98Å; I501-W578 HydrophobicContact CD1-CZ3 4.4Å; I501-W578 HydrophobicContact CG2-CD2 3.83Å; I501-W578 HydrophobicContact CG2-CE3 3.46Å; I501-W578 VanDerWaalsContact CG2-CE3 3.46Å; I501-W578 HydrophobicContact CG2-CH2 3.75Å; I501-W578 HydrophobicContact CG2-CZ2 4.1Å; I501-W578 HydrophobicContact CG2-CZ3 3.42Å; I501-W578 VanDerWaalsContact CG2-CZ3 3.42Å; A505-W578 HydrophobicContact CB-CB 3.91Å; A505-W578 VanDerWaalsContact CB-CD1 3.41Å; A505-W578 HydrophobicContact CB-CD2 4.49Å; A505-W578 HydrophobicContact CB-CG 3.65Å; L532-W578 CarbonylContact C-O 3.51Å; L532-W578 VanDerWaalsContact CA-O 3.27Å; L532-W578 WeakPolarHBondContact CA-O 3.08Å; F533-W578 HydrophobicContact CD2-CB 3.82Å; F533-W578 HydrophobicContact CE2-CB 3.98Å; F533-W578 PolarHBondContact N-O 3.1Å; L575-W578 HydrophobicContact CD2-CE3 4.3Å; L575-W578 HydrophobicContact CD2-CZ3 4.26Å; L575-W578 PolarHBondContact O-N 3.14Å; N576-W578 PolarHBondContact O-N 3.18Å
579	C	90	Very high	80.1	Confident	13 Å²	13	57.5 Å²	57.5	9%	0.088	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-91.7	147.5	-177.7	-70.8	0	0	0	0	112.8	F533 L575 N576 K581 Q588	F533-C579 CarbonylContact O-C 3.59Å; F533-C579 VanDerWaalsContact O-CA 3.26Å; F533-C579 WeakPolarHBondContact O-CA 3.15Å; L575-C579 PolarHBondContact O-SG 2.76Å; N576-C579 PolarHBondContact O-N 3.17Å; C579-K581 PolarHBondContact O-N 2.96Å; C579-K581 VanDerWaalsContact O-N 3.09Å; C579-Q588 PolarHBondContact SG-OE1 2.84Å
580	T	86.9	Confident	80.3	Confident	33 Å²	33	57.2 Å²	57.2	20%	0.202	34%	0.34	C	S	.	.	S	Bend	trans	-64.2	-16.7	-178.6	61.8	0	0	0	0	113.9	V447 L532 F533 D534	V447-T580 HydrophobicContact CB-CG2 4.03Å; V447-T580 HydrophobicContact CG2-CG2 4.08Å; L532-T580 HydrophobicContact CB-CG2 3.73Å; L532-T580 HydrophobicContact CD1-CG2 4.27Å; F533-T580 PolarHBondContact O-N 3.33Å; D534-T580 HydrophobicContact CB-CG2 4.05Å; D534-T580 PolarHBondContact OD1-OG1 3.14Å
581	K	79.9	Confident	80.4	Confident	153 Å²	153	57.8 Å²	57.8	67%	0.665	34%	0.339	S	S	*	.			trans	-140.1	82.1	-178.9	-63.4	173.6	-172.4	165.4	0	111.3	C579 S583	C579-K581 PolarHBondContact O-N 2.96Å; C579-K581 VanDerWaalsContact O-N 3.09Å; K581-S583 PolarHBondContact O-N 3.36Å
582	P	62.3	Low	80.6	Confident	88 Å²	88	56 Å²	56	57%	0.571	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.2	-176.6	-25.7	35.9	0	0	0	115.8	A584	P582-A584 PolarHBondContact O-N 2.94Å
583	S	52	Low	80.7	Confident	123 Å²	123	51.8 Å²	51.8	86%	0.86	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	2.8	-172.5	-166.1	0	0	0	0	115.4	K581	K581-S583 PolarHBondContact O-N 3.36Å
584	A	53.8	Low	80.9	Confident	59 Å²	59	51.5 Å²	51.5	49%	0.488	30%	0.302	S	S	.	.			trans	-102.3	60.4	176.8	0	0	0	0	0	110.7	P582 T586 Q588	P582-A584 PolarHBondContact O-N 2.94Å; A584-T586 PolarHBondContact O-N 3.04Å; A584-Q588 PolarHBondContact O-NE2 3.17Å
585	A	49.8	Very low	81.2	Confident	65 Å²	65	49.2 Å²	49.2	54%	0.537	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	2	-156.6	0	0	0	0	0	117.2
586	T	56.8	Low	81.5	Confident	100 Å²	100	49.2 Å²	49.2	61%	0.613	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-38	-168.4	55.6	0	0	0	0	114.2	A584 E803	A584-T586 PolarHBondContact O-N 3.04Å; T586-E803 WeakPolarHBondContact CB-OE1 3.49Å; T586-E803 PolarHBondContact OG1-OE1 2.7Å
587	G	63.4	Low	81.9	Confident	22 Å²	22	48.1 Å²	48.1	23%	0.227	28%	0.281	C	S	.	.	S	Bend	trans	-98.8	23	-169.9	0	0	0	0	0	117	R800 E803	G587-R800 VanDerWaalsContact O-CD 3.31Å; G587-R800 WeakPolarHBondContact O-CD 3.41Å; G587-E803 PolarHBondContact N-OE1 2.69Å
588	Q	78.1	Confident	82.2	Confident	20 Å²	20	41.2 Å²	41.2	9%	0.093	25%	0.248	C	C	.	.			trans	-129.3	14	-166.1	-64	175.1	69	0	0	114.6	L575 N576 C579 A584	L575-Q588 PolarHBondContact N-O 2.9Å; N576-Q588 WeakPolarHBondContact OD1-CB 3.41Å; N576-Q588 VanDerWaalsContact OD1-CD 3.25Å; N576-Q588 PolarHBondContact OD1-NE2 2.64Å; N576-Q588 PolarHBondContact OD1-OE1 3.38Å; C579-Q588 PolarHBondContact SG-OE1 2.84Å; A584-Q588 PolarHBondContact O-NE2 3.17Å
589	Q	91.2	Very high	82.4	Confident	107 Å²	107	41.8 Å²	41.8	50%	0.5	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.7	169.6	-64.2	-170.5	1.9	0	0	110.8	I801	Q589-I801 HydrophobicContact CB-CD1 4.13Å; Q589-I801 PolarHBondContact O-N 3.23Å
590	Y	94.8	Very high	82.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147	-176.8	-68.1	-101.7	0	0	0	111.6	T536 P537 I540 T572 L573 L575 Y798 K799 R800	T536-Y590 WeakPolarHBondContact CB-OH 3.31Å; T536-Y590 PolarHBondContact OG1-OH 2.85Å; P537-Y590 WeakPolarHBondContact O-CE1 3.42Å; P537-Y590 PolarHBondContact O-OH 3.46Å; I540-Y590 HydrophobicContact CB-CE1 4.4Å; I540-Y590 HydrophobicContact CG2-CD1 3.8Å; I540-Y590 HydrophobicContact CG2-CE1 3.96Å; I540-Y590 HydrophobicContact CG2-CG 4.26Å; T572-Y590 CarbonylContact C-O 3.51Å; T572-Y590 VanDerWaalsContact CA-O 3.26Å; T572-Y590 WeakPolarHBondContact CA-O 3.46Å; L573-Y590 PolarHBondContact N-O 3.1Å; L573-Y590 PolarHBondContact O-N 3.43Å; L575-Y590 HydrophobicContact CD1-CD2 4.24Å; L575-Y590 HydrophobicContact CD1-CE2 3.85Å; L575-Y590 HydrophobicContact CG-CD2 4.46Å; L575-Y590 HydrophobicContact CG-CE2 4.41Å; Y590-Y798 WeakPolarHBondContact CD1-O 3.28Å; Y590-K799 CarbonylContact C-O 3.46Å; Y590-K799 VanDerWaalsContact CA-O 3.23Å; Y590-K799 WeakPolarHBondContact CA-O 3.25Å; Y590-K799 VanDerWaalsContact CD1-C 3.49Å; Y590-R800 HydrophobicContact CD1-CB 4.06Å; Y590-R800 HydrophobicContact CE1-CB 3.67Å; Y590-R800 HydrophobicContact CE1-CG 4.34Å
591	E	95.4	Very high	82.2	Confident	52 Å²	52	45.3 Å²	45.3	24%	0.243	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.2	173.3	-179.8	178.9	-116.7	0	0	109.9	L571 F593 R613 Y798 K799 I801	L571-E591 WeakPolarHBondContact O-CA 3.36Å; E591-F593 PolarHBondContact O-N 3.04Å; E591-R613 IonicContact OE1-NH1 3.89Å; E591-R613 PolarHBondContact OE1-NH1 2.67Å; E591-R613 IonicContact OE2-NH1 3.99Å; E591-Y798 CarbonylContact O-C 3.56Å; E591-Y798 WeakPolarHBondContact O-CA 3.38Å; E591-K799 HydrophobicContact CB-CG 4.39Å; E591-K799 PolarHBondContact N-O 2.91Å; E591-K799 WeakPolarHBondContact O-CG 3.41Å; E591-K799 PolarHBondContact O-N 3.46Å; E591-K799 WeakPolarHBondContact OE2-CE 3.41Å; E591-K799 IonicContact OE2-NZ 3.84Å; E591-K799 PolarHBondContact OE2-NZ 2.91Å; E591-I801 HydrophobicContact CB-CD1 4.27Å; E591-I801 HydrophobicContact CB-CG1 4.04Å
592	L	96.8	Very high	82.6	Confident	1 Å²	1	40 Å²	40	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	121.2	173.6	-173.5	69.7	0	0	0	109.4	T569 L571 V595 W763 F779 L796 Y798	T569-L592 HydrophobicContact CG2-CD2 4.11Å; L571-L592 HydrophobicContact CD2-CD2 4.34Å; L571-L592 PolarHBondContact O-N 2.82Å; L592-V595 HydrophobicContact CD1-CG2 3.96Å; L592-V595 HydrophobicContact CD2-CG2 3.83Å; L592-V595 HydrophobicContact CG-CG2 4.15Å; L592-W763 HydrophobicContact CD2-CH2 4.28Å; L592-W763 HydrophobicContact CG-CH2 4.15Å; L592-F779 HydrophobicContact CD2-CE1 4.22Å; L592-F779 HydrophobicContact CD2-CZ 3.88Å; L592-L796 HydrophobicContact CD1-CB 4.15Å; L592-Y798 HydrophobicContact CB-CD1 3.95Å; L592-Y798 HydrophobicContact CB-CE1 3.6Å; L592-Y798 HydrophobicContact CD1-CD1 4.28Å; L592-Y798 HydrophobicContact CD1-CD2 3.97Å; L592-Y798 HydrophobicContact CD1-CE1 3.98Å; L592-Y798 HydrophobicContact CD1-CE2 3.66Å; L592-Y798 HydrophobicContact CD1-CG 4.26Å; L592-Y798 HydrophobicContact CG-CE1 4.34Å
593	F	97.1	Very high	83.6	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-20.1	178.1	81.3	-85.1	0	0	0	113.9	C109 V539 E591 I612 R613 F797 K799	C109-F593 HydrophobicContact CB-CE2 4.46Å; C109-F593 HydrophobicContact CB-CZ 4.33Å; V539-F593 HydrophobicContact CG1-CE1 3.81Å; V539-F593 HydrophobicContact CG1-CZ 4.15Å; V539-F593 HydrophobicContact CG2-CE1 4.1Å; V539-F593 HydrophobicContact CG2-CZ 4.43Å; E591-F593 PolarHBondContact O-N 3.04Å; F593-I612 CarbonylContact O-C 3.56Å; F593-I612 WeakPolarHBondContact O-CA 3.45Å; F593-R613 PolarHBondContact O-N 2.67Å; F593-F797 HydrophobicContact CD1-CB 4.28Å; F593-F797 VanDerWaalsContact CD1-O 3.22Å; F593-F797 WeakPolarHBondContact CD1-O 3.23Å; F593-F797 HydrophobicContact CE1-CB 3.68Å; F593-F797 HydrophobicContact CZ-CB 3.86Å; F593-F797 PolarHBondContact N-O 3.04Å; F593-K799 HydrophobicContact CB-CD 4.01Å; F593-K799 HydrophobicContact CB-CG 4.19Å; F593-K799 HydrophobicContact CD1-CB 3.7Å; F593-K799 HydrophobicContact CD1-CD 4.27Å; F593-K799 HydrophobicContact CD1-CG 3.84Å; F593-K799 HydrophobicContact CE1-CB 4.06Å; F593-K799 HydrophobicContact CG-CD 4.27Å; F593-K799 HydrophobicContact CG-CG 4.29Å
594	A	98.1	Very high	85.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151	170.8	0	0	0	0	0	113.3	V105 Y611 I612 F797	V105-A594 HydrophobicContact CG1-CB 4.26Å; V105-A594 HydrophobicContact CG2-CB 4.08Å; A594-Y611 CarbonylContact C-O 3.52Å; A594-Y611 WeakPolarHBondContact CA-O 3.45Å; A594-I612 HydrophobicContact CB-CG1 4.1Å; A594-I612 HydrophobicContact CB-CG2 4.42Å; A594-F797 HydrophobicContact CB-CB 4.1Å; A594-F797 HydrophobicContact CB-CD2 4.23Å; A594-F797 HydrophobicContact CB-CG 4.49Å; A594-F797 PolarHBondContact N-O 3.13Å; A594-F797 PolarHBondContact O-N 2.93Å
595	V	98.4	Very high	86.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.6	175.2	176	0	0	0	0	108.6	L592 M597 T610 Y611 F779 P793 L795 L796	L592-V595 HydrophobicContact CD1-CG2 3.96Å; L592-V595 HydrophobicContact CD2-CG2 3.83Å; L592-V595 HydrophobicContact CG-CG2 4.15Å; V595-M597 HydrophobicContact CG1-CG 4.39Å; V595-M597 HydrophobicContact CG1-SD 3.78Å; V595-T610 CarbonylContact O-C 3.52Å; V595-T610 WeakPolarHBondContact O-CA 3.28Å; V595-Y611 PolarHBondContact N-O 2.91Å; V595-Y611 PolarHBondContact O-N 3.29Å; V595-F779 HydrophobicContact CB-CE2 4.35Å; V595-F779 HydrophobicContact CG2-CE2 4.04Å; V595-F779 HydrophobicContact CG2-CZ 3.87Å; V595-P793 HydrophobicContact CG1-CB 3.86Å; V595-P793 HydrophobicContact CG1-CG 4.32Å; V595-L795 WeakPolarHBondContact CA-O 3.38Å; V595-L796 HydrophobicContact CB-CD2 4.48Å; V595-L796 HydrophobicContact CG1-CD2 3.99Å; V595-L796 HydrophobicContact CG2-CD2 3.9Å
596	V	98.4	Very high	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.8	166	175.3	0	0	0	0	108.1	I102 V105 Y608 T609 T610 Y794 L795 F797	I102-V596 HydrophobicContact CD1-CG2 4.38Å; V105-V596 HydrophobicContact CG2-CG2 3.7Å; V596-Y608 HydrophobicContact CG1-CD1 3.86Å; V596-T609 WeakPolarHBondContact CA-O 3.23Å; V596-T610 HydrophobicContact CG2-CG2 4.19Å; V596-Y794 PolarHBondContact O-N 2.87Å; V596-L795 HydrophobicContact CB-CB 4.14Å; V596-L795 PolarHBondContact N-O 3.48Å; V596-L795 PolarHBondContact O-N 3.26Å; V596-F797 HydrophobicContact CG2-CE2 3.89Å
597	M	96.8	Very high	90.3	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.9	174.2	-59.6	-67.2	-74.5	0	0	110	V595 Y608 T609 Y611 A782 T792 P793	V595-M597 HydrophobicContact CG1-CG 4.39Å; V595-M597 HydrophobicContact CG1-SD 3.78Å; M597-Y608 WeakPolarHBondContact O-CA 3.46Å; M597-T609 PolarHBondContact N-O 3.04Å; M597-T609 PolarHBondContact O-N 2.85Å; M597-Y611 HydrophobicContact CG-CD2 3.75Å; M597-Y611 HydrophobicContact CG-CE2 3.67Å; M597-Y611 HydrophobicContact SD-CD2 4.29Å; M597-Y611 HydrophobicContact SD-CE2 4.2Å; M597-A782 WeakPolarHBondContact CE-O 3.37Å; M597-T792 WeakPolarHBondContact CA-O 3.37Å; M597-P793 HydrophobicContact CE-CG 4.36Å; M597-P793 HydrophobicContact SD-CB 4.18Å; M597-P793 HydrophobicContact SD-CG 3.8Å
598	H	95.9	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	165.3	-179	-96.8	0	0	0	111.5	F547 K562 T602 Y608 S791 T792 Y794	F547-H598 AromaticContact CZ-CE1 3.82Å; F547-H598 AromaticContact CZ-ND1 3.61Å; K562-H598 PolarHBondContact NZ-O 3.39Å; K562-H598 VanDerWaalsContact NZ-O 3.15Å; H598-T602 PolarHBondContact CE1-O 2.88Å; H598-T602 VanDerWaalsContact CE1-O 3.25Å; H598-Y608 HydrophobicContact CB-CD1 4.08Å; H598-Y608 HydrophobicContact CB-CE1 3.89Å; H598-Y608 AromaticContact CD2-CD1 3.85Å; H598-Y608 AromaticContact CD2-CE1 3.52Å; H598-Y608 AromaticContact CD2-CE2 3.73Å; H598-Y608 AromaticContact CD2-CZ 3.47Å; H598-Y608 VanDerWaalsContact CD2-CZ 3.47Å; H598-Y608 AromaticContact CG-CE1 4Å; H598-S791 WeakPolarHBondContact O-CA 3.5Å; H598-T792 PolarHBondContact N-O 3.39Å; H598-T792 PolarHBondContact O-N 3.48Å; H598-T792 VanDerWaalsContact O-N 3.13Å; H598-Y794 HydrophobicContact CB-CG 4.36Å
599	S	93.9	Very high	92.9	Very high	36 Å²	36	30.1 Å²	30.1	25%	0.252	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	100.6	179.1	-52.9	0	0	0	0	110	G606 H607 S790 S791	S599-G606 CarbonylContact O-C 3.51Å; S599-G606 WeakPolarHBondContact O-CA 3.31Å; S599-H607 PolarHBondContact N-O 3.5Å; S599-H607 PolarHBondContact O-N 2.94Å; S599-S790 WeakPolarHBondContact CA-O 3.42Å; S599-S791 VanDerWaalsContact OG-CB 3.27Å; S599-S791 WeakPolarHBondContact OG-CB 3.04Å; S599-S791 PolarHBondContact OG-OG 3.18Å
600	G	90.1	Very high	93.3	Very high	15 Å²	15	25 Å²	25	16%	0.155	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	179.6	-175.2	0	0	0	0	0	113.7	K562 S790	K562-G600 WeakPolarHBondContact CD-O 3.32Å; G600-S790 PolarHBondContact N-O 2.99Å; G600-S790 VanDerWaalsContact N-O 3.09Å
601	V	84	Confident	93.4	Very high	106 Å²	106	26 Å²	26	64%	0.642	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	-28.2	-175	-69	0	0	0	0	113.9	K562	K562-V601 WeakPolarHBondContact CB-O 3.24Å
602	T	86.8	Confident	93.5	Very high	41 Å²	41	23.5 Å²	23.5	25%	0.252	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.6	173.9	66.3	0	0	0	0	110.1	H598 S604 S605	H598-T602 PolarHBondContact CE1-O 2.88Å; H598-T602 VanDerWaalsContact CE1-O 3.25Å; T602-S604 PolarHBondContact O-N 2.91Å; T602-S604 PolarHBondContact OG1-OG 2.94Å; T602-S605 CarbonylContact O-C 3.34Å; T602-S605 PolarHBondContact O-N 2.89Å; T602-S605 WeakPolarHBondContact OG1-CB 3.26Å; T602-S605 PolarHBondContact OG1-N 2.91Å
603	I	85	Confident	93.5	Very high	32 Å²	32	25.6 Å²	25.6	16%	0.164	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.5	177.8	-158	166.4	0	0	0	113.5	D212 F547 L560	D212-I603 HydrophobicContact CB-CD1 3.74Å; D212-I603 HydrophobicContact CB-CG1 4.09Å; D212-I603 VanDerWaalsContact CG-CD1 3.46Å; D212-I603 VanDerWaalsContact OD2-CD1 3.24Å; D212-I603 WeakPolarHBondContact OD2-CD1 3.49Å; F547-I603 HydrophobicContact CD1-CB 4.09Å; F547-I603 HydrophobicContact CD2-CB 3.92Å; F547-I603 HydrophobicContact CD2-CD1 3.51Å; F547-I603 HydrophobicContact CD2-CG1 3.8Å; F547-I603 HydrophobicContact CE1-CB 3.98Å; F547-I603 VanDerWaalsContact CE1-N 3.34Å; F547-I603 HydrophobicContact CE2-CB 3.8Å; F547-I603 HydrophobicContact CE2-CD1 3.81Å; F547-I603 HydrophobicContact CE2-CG1 3.59Å; F547-I603 HydrophobicContact CG-CB 4.04Å; F547-I603 HydrophobicContact CG-CD1 4.16Å; F547-I603 HydrophobicContact CG-CG1 4.4Å; F547-I603 HydrophobicContact CZ-CB 3.82Å; F547-I603 HydrophobicContact CZ-CG1 4.05Å; L560-I603 HydrophobicContact CD1-CG2 4.05Å
604	S	82	Confident	93.3	Very high	79 Å²	79	25.6 Å²	25.6	55%	0.552	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	1.2	179.8	55.9	0	0	0	0	113.9	T602	T602-S604 PolarHBondContact O-N 2.91Å; T602-S604 PolarHBondContact OG1-OG 2.94Å
605	S	84.7	Confident	92.9	Very high	70 Å²	70	27.2 Å²	27.2	49%	0.49	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	94.1	-180	-167.6	0	0	0	0	110.8	T602	T602-S605 CarbonylContact O-C 3.34Å; T602-S605 PolarHBondContact O-N 2.89Å; T602-S605 WeakPolarHBondContact OG1-CB 3.26Å; T602-S605 PolarHBondContact OG1-N 2.91Å
606	G	90.5	Very high	92	Very high	21 Å²	21	31.6 Å²	31.6	22%	0.216	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-150.3	176.3	0	0	0	0	0	111.5	Q210 S599	Q210-G606 PolarHBondContact NE2-O 3.41Å; Q210-G606 PolarHBondContact OE1-O 3.36Å; S599-G606 CarbonylContact O-C 3.51Å; S599-G606 WeakPolarHBondContact O-CA 3.31Å
607	H	95.8	Very high	91.3	Very high	54 Å²	54	32.5 Å²	32.5	25%	0.25	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.2	178.2	-174.4	41.4	0	0	0	109.9	C97 S599 T609 D767 D768	C97-H607 VanDerWaalsContact CB-ND1 3.32Å; C97-H607 WeakPolarHBondContact CB-ND1 3.45Å; C97-H607 PolarHBondContact SG-ND1 3.2Å; S599-H607 PolarHBondContact N-O 3.5Å; S599-H607 PolarHBondContact O-N 2.94Å; H607-T609 WeakPolarHBondContact NE2-CG2 3.04Å; H607-D767 IonicContact CD2-OD1 3.8Å; H607-D767 IonicContact CE1-OD1 3.04Å; H607-D767 IonicContact NE2-OD1 3.27Å; H607-D767 PolarHBondContact NE2-OD1 3.15Å; H607-D768 IonicContact CE1-OD2 2.67Å; H607-D768 PolarHBondContact CE1-OD2 3.1Å
608	Y	97.9	Very high	90.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.3	179	-68.5	-87.8	0	0	0	110.3	S101 H211 A213 V596 M597 H598 Y794	S101-Y608 WeakPolarHBondContact OG-CB 3.42Å; H211-Y608 WeakPolarHBondContact O-CE2 3.46Å; A213-Y608 HydrophobicContact CB-CD1 3.92Å; A213-Y608 HydrophobicContact CB-CE1 3.64Å; V596-Y608 HydrophobicContact CG1-CD1 3.86Å; M597-Y608 WeakPolarHBondContact O-CA 3.46Å; H598-Y608 HydrophobicContact CB-CD1 4.08Å; H598-Y608 HydrophobicContact CB-CE1 3.89Å; H598-Y608 AromaticContact CD2-CD1 3.85Å; H598-Y608 AromaticContact CD2-CE1 3.52Å; H598-Y608 AromaticContact CD2-CE2 3.73Å; H598-Y608 AromaticContact CD2-CZ 3.47Å; H598-Y608 VanDerWaalsContact CD2-CZ 3.47Å; H598-Y608 AromaticContact CG-CE1 4Å; Y608-Y794 AromaticContact CE1-CD1 3.76Å; Y608-Y794 HydrophobicContact CE1-CD1 3.76Å; Y608-Y794 HydrophobicContact CE1-CE1 4.17Å
609	T	97.8	Very high	88.8	Confident	11 Å²	11	46 Å²	46	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.2	175.7	61.1	0	0	0	0	109.8	V596 M597 H607 D767	V596-T609 WeakPolarHBondContact CA-O 3.23Å; M597-T609 PolarHBondContact N-O 3.04Å; M597-T609 PolarHBondContact O-N 2.85Å; H607-T609 WeakPolarHBondContact NE2-CG2 3.04Å; T609-D767 HydrophobicContact CG2-CB 4.18Å; T609-D767 VanDerWaalsContact CG2-OD1 3.25Å; T609-D767 WeakPolarHBondContact CG2-OD1 3.06Å
610	T	98.3	Very high	87.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.8	-175.6	-51.4	0	0	0	0	111.3	S101 V105 V595 V596 I612 F766	S101-T610 WeakPolarHBondContact CA-OG1 3.37Å; S101-T610 WeakPolarHBondContact CB-OG1 3.35Å; S101-T610 PolarHBondContact O-OG1 2.76Å; V105-T610 HydrophobicContact CG2-CG2 3.42Å; V105-T610 VanDerWaalsContact CG2-CG2 3.42Å; V595-T610 CarbonylContact O-C 3.52Å; V595-T610 WeakPolarHBondContact O-CA 3.28Å; V596-T610 HydrophobicContact CG2-CG2 4.19Å; T610-I612 HydrophobicContact CG2-CD1 3.87Å; T610-I612 HydrophobicContact CG2-CG1 3.49Å; T610-I612 VanDerWaalsContact CG2-CG1 3.49Å; T610-F766 PolarHBondContact N-O 2.71Å; T610-F766 PolarHBondContact O-N 3.29Å
611	Y	98.1	Very high	86.8	Confident	20 Å²	20	52.6 Å²	52.6	8%	0.078	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.3	161.5	-67.2	-75.3	0	0	0	109.6	A594 V595 M597 L764 L765 F774 F779 A782	A594-Y611 CarbonylContact C-O 3.52Å; A594-Y611 WeakPolarHBondContact CA-O 3.45Å; V595-Y611 PolarHBondContact N-O 2.91Å; V595-Y611 PolarHBondContact O-N 3.29Å; M597-Y611 HydrophobicContact CG-CD2 3.75Å; M597-Y611 HydrophobicContact CG-CE2 3.67Å; M597-Y611 HydrophobicContact SD-CD2 4.29Å; M597-Y611 HydrophobicContact SD-CE2 4.2Å; Y611-L764 CarbonylContact C-O 3.55Å; Y611-L764 VanDerWaalsContact CA-O 3.32Å; Y611-L764 WeakPolarHBondContact CA-O 3.46Å; Y611-L765 HydrophobicContact CD1-CB 3.92Å; Y611-L765 HydrophobicContact CD1-CD1 4.03Å; Y611-L765 HydrophobicContact CD1-CG 4.49Å; Y611-L765 HydrophobicContact CE1-CB 3.75Å; Y611-L765 HydrophobicContact CE1-CD1 3.79Å; Y611-L765 HydrophobicContact CE1-CD2 4.1Å; Y611-L765 HydrophobicContact CE1-CG 4.08Å; Y611-L765 HydrophobicContact CE2-CD1 4.4Å; Y611-L765 HydrophobicContact CG-CD1 4.43Å; Y611-F774 HydrophobicContact CD1-CD1 4.18Å; Y611-F774 HydrophobicContact CD1-CG 4.36Å; Y611-F774 HydrophobicContact CE1-CB 4.41Å; Y611-F774 AromaticContact CE1-CD1 3.5Å; Y611-F774 HydrophobicContact CE1-CD1 3.5Å; Y611-F774 HydrophobicContact CE1-CD2 4.11Å; Y611-F774 AromaticContact CE1-CE1 3.59Å; Y611-F774 HydrophobicContact CE1-CE1 3.59Å; Y611-F774 HydrophobicContact CE1-CE2 4.21Å; Y611-F774 AromaticContact CE1-CG 3.76Å; Y611-F774 HydrophobicContact CE1-CG 3.76Å; Y611-F774 AromaticContact CE1-CZ 3.96Å; Y611-F774 HydrophobicContact CE1-CZ 3.96Å; Y611-F774 AromaticContact CZ-CE1 3.91Å; Y611-F774 WeakPolarHBondContact OH-CZ 3.36Å; Y611-F779 AromaticContact CD1-CD2 3.98Å; Y611-F779 HydrophobicContact CD1-CD2 3.98Å; Y611-F779 HydrophobicContact CD2-CD2 4.06Å; Y611-F779 HydrophobicContact CD2-CE2 4.16Å; Y611-F779 AromaticContact CG-CD2 3.66Å; Y611-F779 HydrophobicContact CG-CD2 3.66Å; Y611-F779 AromaticContact CG-CE2 3.91Å; Y611-F779 HydrophobicContact CG-CE2 3.91Å; Y611-A782 HydrophobicContact CE2-CB 4.17Å
612	I	97.8	Very high	86.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.6	177.5	-50.1	-177.4	0	0	0	109.6	Q104 Y108 F593 A594 T610 M614 W763 L764 F766	Q104-I612 HydrophobicContact CB-CD1 4.01Å; Q104-I612 WeakPolarHBondContact O-CD1 3.21Å; Y108-I612 HydrophobicContact CD2-CD1 3.5Å; Y108-I612 HydrophobicContact CD2-CG2 4.35Å; Y108-I612 HydrophobicContact CE2-CD1 4.26Å; Y108-I612 HydrophobicContact CG-CD1 4.21Å; Y108-I612 HydrophobicContact CG-CG2 4.09Å; F593-I612 CarbonylContact O-C 3.56Å; F593-I612 WeakPolarHBondContact O-CA 3.45Å; A594-I612 HydrophobicContact CB-CG1 4.1Å; A594-I612 HydrophobicContact CB-CG2 4.42Å; T610-I612 HydrophobicContact CG2-CD1 3.87Å; T610-I612 HydrophobicContact CG2-CG1 3.49Å; T610-I612 VanDerWaalsContact CG2-CG1 3.49Å; I612-M614 HydrophobicContact CB-CE 3.73Å; I612-M614 HydrophobicContact CG2-CE 3.57Å; I612-M614 WeakPolarHBondContact O-CE 3.43Å; I612-W763 WeakPolarHBondContact O-CA 3.32Å; I612-L764 PolarHBondContact N-O 3.15Å; I612-L764 PolarHBondContact O-N 3.35Å; I612-F766 HydrophobicContact CB-CD2 4.36Å; I612-F766 HydrophobicContact CB-CE2 4.06Å; I612-F766 HydrophobicContact CD1-CD2 3.81Å; I612-F766 HydrophobicContact CD1-CE2 3.84Å; I612-F766 HydrophobicContact CG1-CD2 3.95Å; I612-F766 HydrophobicContact CG1-CE2 4.07Å
613	R	96	Very high	85.3	Confident	45 Å²	45	52.3 Å²	52.3	17%	0.17	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.4	173.1	-156.3	-176.3	-163.7	-165.8	13.4	109.4	E591 F593 S615 G761 K762 W763 E776	E591-R613 IonicContact OE1-NH1 3.89Å; E591-R613 PolarHBondContact OE1-NH1 2.67Å; E591-R613 IonicContact OE2-NH1 3.99Å; F593-R613 PolarHBondContact O-N 2.67Å; R613-S615 PolarHBondContact O-N 2.95Å; R613-G761 WeakPolarHBondContact CG-O 3.21Å; R613-G761 PolarHBondContact NE-O 2.67Å; R613-G761 VanDerWaalsContact NE-O 3.09Å; R613-K762 WeakPolarHBondContact CA-O 3.14Å; R613-W763 HydrophobicContact CB-CD2 3.83Å; R613-W763 HydrophobicContact CB-CE3 3.82Å; R613-W763 HydrophobicContact CB-CH2 3.76Å; R613-W763 HydrophobicContact CB-CZ2 3.76Å; R613-W763 HydrophobicContact CB-CZ3 3.79Å; R613-W763 HydrophobicContact CG-CD2 4.03Å; R613-W763 HydrophobicContact CG-CG 4.4Å; R613-W763 HydrophobicContact CG-CH2 4.46Å; R613-W763 HydrophobicContact CG-CZ2 3.96Å; R613-E776 IonicContact CZ-OE2 3.9Å; R613-E776 IonicContact NE-OE2 2.76Å; R613-E776 PolarHBondContact NE-OE2 2.82Å; R613-E776 IonicContact NH2-OE1 3.62Å; R613-E776 IonicContact NH2-OE2 2.66Å; R613-E776 PolarHBondContact NH2-OE2 2.8Å
614	M	93.7	Very high	83.8	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	28%	0.281	C	S	.	.			trans	-66	133.5	-179.5	-62.4	-60.5	100.8	0	0	110.3	F87 Y108 I612 L617 Y759 G761 K762 L764 F766	F87-M614 HydrophobicContact CD1-SD 3.95Å; F87-M614 HydrophobicContact CE1-CG 4.22Å; F87-M614 HydrophobicContact CE1-SD 3.53Å; F87-M614 VanDerWaalsContact CE1-SD 3.53Å; F87-M614 HydrophobicContact CZ-CG 4.18Å; F87-M614 HydrophobicContact CZ-SD 4.1Å; Y108-M614 HydrophobicContact CD1-CE 4.03Å; Y108-M614 HydrophobicContact CD1-SD 4.06Å; Y108-M614 HydrophobicContact CE1-CE 4.11Å; Y108-M614 HydrophobicContact CE1-SD 3.8Å; Y108-M614 HydrophobicContact CG-CE 4.31Å; I612-M614 HydrophobicContact CB-CE 3.73Å; I612-M614 HydrophobicContact CG2-CE 3.57Å; I612-M614 WeakPolarHBondContact O-CE 3.43Å; M614-L617 HydrophobicContact CB-CD1 3.99Å; M614-L617 HydrophobicContact CB-CG 4.37Å; M614-Y759 WeakPolarHBondContact CB-O 3.44Å; M614-G761 WeakPolarHBondContact O-CA 3.18Å; M614-G761 PolarHBondContact O-N 2.57Å; M614-K762 PolarHBondContact N-O 3.09Å; M614-L764 HydrophobicContact CE-CB 4.27Å; M614-L764 HydrophobicContact CE-CD1 3.8Å; M614-L764 HydrophobicContact CE-CG 4.08Å; M614-L764 HydrophobicContact CG-CD1 3.86Å; M614-L764 HydrophobicContact CG-CG 3.98Å; M614-L764 HydrophobicContact SD-CD1 3.6Å; M614-L764 HydrophobicContact SD-CG 4.25Å; M614-F766 HydrophobicContact CE-CE2 4.1Å; M614-F766 HydrophobicContact CE-CZ 4.44Å
615	S	88.4	Confident	82.1	Confident	34 Å²	34	59.4 Å²	59.4	24%	0.238	30%	0.297	C	S	.	.			trans	-152.8	158.5	170.9	46.6	0	0	0	0	111.2	R613 L617 E760 K799	R613-S615 PolarHBondContact O-N 2.95Å; S615-L617 VanDerWaalsContact C-N 3.3Å; S615-L617 PolarHBondContact O-N 3.31Å; S615-E760 WeakPolarHBondContact CA-OE1 3.35Å; S615-K799 PolarHBondContact OG-NZ 3.33Å
616	N	80.8	Confident	80	Confident	92 Å²	92	61.9 Å²	61.9	49%	0.492	31%	0.305	S	S	.	.			trans	63.9	26.6	-176.6	-51.7	-24.6	0	0	0	114.1	K618 D619 E760	N616-K618 PolarHBondContact O-N 3Å; N616-D619 PolarHBondContact O-N 3.24Å; N616-D619 VanDerWaalsContact O-N 3.1Å; N616-E760 PolarHBondContact N-OE1 2.65Å; N616-E760 PolarHBondContact N-OE2 3.36Å
617	L	82.3	Confident	77.4	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.099	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-64.5	-11.5	178.1	-61.4	-176.9	0	0	0	113.3	F87 M614 S615 D619 A620 L756 L757 E760	F87-L617 HydrophobicContact CE1-CD2 4.26Å; F87-L617 HydrophobicContact CZ-CD1 4.14Å; M614-L617 HydrophobicContact CB-CD1 3.99Å; M614-L617 HydrophobicContact CB-CG 4.37Å; S615-L617 VanDerWaalsContact C-N 3.3Å; S615-L617 PolarHBondContact O-N 3.31Å; L617-D619 PolarHBondContact O-N 3.06Å; L617-A620 WeakPolarHBondContact O-CB 3.46Å; L617-A620 PolarHBondContact O-N 2.89Å; L617-L756 WeakPolarHBondContact CD1-O 3.48Å; L617-L757 HydrophobicContact CB-CD2 4.2Å; L617-E760 VanDerWaalsContact CB-OE2 3.31Å; L617-E760 WeakPolarHBondContact CB-OE2 3.41Å; L617-E760 WeakPolarHBondContact CG-OE2 3.41Å; L617-E760 PolarHBondContact N-OE2 3.48Å
618	K	71.6	Confident	74.8	Confident	163 Å²	163	75.3 Å²	75.3	71%	0.709	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.9	171.7	-64	171	-174.8	165.3	0	113.8	N616 L757	N616-K618 PolarHBondContact O-N 3Å; K618-L757 HydrophobicContact CB-CD2 4.41Å; K618-L757 HydrophobicContact CG-CD2 3.61Å
619	D	68.8	Low	71.7	Confident	123 Å²	123	82.5 Å²	82.5	66%	0.658	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-93.3	4.2	178.4	-62	-46.8	0	0	0	112.6	N616 L617	N616-D619 PolarHBondContact O-N 3.24Å; N616-D619 VanDerWaalsContact O-N 3.1Å; L617-D619 PolarHBondContact O-N 3.06Å
620	A	70.8	Confident	68.6	Low	28 Å²	28	91.6 Å²	91.6	23%	0.231	43%	0.432	C	S	.	.			trans	-65	154.2	175.4	0	0	0	0	0	111.9	L617 L753 L756	L617-A620 WeakPolarHBondContact O-CB 3.46Å; L617-A620 PolarHBondContact O-N 2.89Å; A620-L753 HydrophobicContact CB-CD2 4.11Å; A620-L753 WeakPolarHBondContact O-CD2 3.27Å; A620-L756 HydrophobicContact CB-CD1 3.82Å
621	K	72.6	Confident	65.4	Low	163 Å²	163	96.4 Å²	96.4	71%	0.709	46%	0.461	S	S	*	.			trans	-135.3	137.9	179.3	-61.6	-177.7	-177.7	-179.7	0	109.5
622	V	71.8	Confident	62.2	Low	11 Å²	11	98.5 Å²	98.5	7%	0.067	48%	0.478	C	S	.	.			trans	-90.2	127.1	170.4	178.8	0	0	0	0	107.9	L176 L177 L624 E749 A752 L753	L176-V622 HydrophobicContact CD1-CG2 4.41Å; L177-V622 HydrophobicContact CD1-CG1 3.75Å; L177-V622 HydrophobicContact CD2-CG1 4.13Å; L177-V622 HydrophobicContact CG-CG1 3.9Å; V622-L624 PolarHBondContact O-N 3.31Å; V622-E749 HydrophobicContact CB-CG 4.07Å; V622-E749 HydrophobicContact CG2-CG 4.28Å; V622-A752 HydrophobicContact CG2-CB 4.16Å; V622-L753 HydrophobicContact CG2-CD2 3.9Å; V622-L753 HydrophobicContact CG2-CG 3.97Å
623	W	66.5	Low	59.1	Low	130 Å²	130	106.5 Å²	106.5	49%	0.492	52%	0.516	S	S	.	.			trans	-90.7	99.5	174.5	-66	91	0	0	0	109.8	E169 S173	E169-W623 PolarHBondContact OE2-NE1 3.07Å; S173-W623 PolarHBondContact OG-N 2.92Å
624	L	54	Low	56.2	Low	69 Å²	69	111.5 Å²	111.5	36%	0.361	54%	0.541	S	S	.	.			trans	-68.1	142	165.4	-68.1	168.1	0	0	0	109.8	L177 V622 D626	L177-L624 HydrophobicContact CD1-CD2 3.76Å; L177-L624 HydrophobicContact CD2-CD2 4.4Å; V622-L624 PolarHBondContact O-N 3.31Å; L624-D626 PolarHBondContact O-N 3.41Å
625	Q	47.1	Very low	53.5	Low	191 Å²	191	116.2 Å²	116.2	89%	0.893	57%	0.566	S	S	*	*	S	Bend	trans	-76.2	-6.8	178.3	-77.2	-175.7	-33.5	0	0	113.9	K627	Q625-K627 PolarHBondContact O-N 3.38Å
626	D	39.7	Very low	51.1	Low	121 Å²	121	119.2 Å²	119.2	65%	0.647	58%	0.583	S	S	*	*			trans	-78.9	59.4	-177.6	-71.6	-38.5	0	0	0	113.4	L624	L624-D626 PolarHBondContact O-N 3.41Å
627	K	35.9	Very low	48.8	Very low	169 Å²	169	121 Å²	121	74%	0.735	59%	0.586	S	S	*	*			trans	-160.3	91.1	155.9	-113.1	170.6	-170.3	-179.1	0	111.8	Q625 E629	Q625-K627 PolarHBondContact O-N 3.38Å; K627-E629 PolarHBondContact O-N 2.91Å
628	E	40.2	Very low	46.4	Very low	188 Å²	188	126.6 Å²	126.6	88%	0.879	61%	0.612	S	S	*	*			trans	-68	76.7	151.5	-67.9	-174.8	155.5	0	0	109.2	K630	E628-K630 PolarHBondContact O-N 3.23Å
629	E	34.2	Very low	44.7	Very low	153 Å²	153	123 Å²	123	72%	0.715	61%	0.607	S	S	*	*			trans	-62.7	122.5	147.6	-72.6	-168.5	172.7	0	0	106.3	K627 V631	K627-E629 PolarHBondContact O-N 2.91Å; E629-V631 PolarHBondContact O-N 3.2Å
630	K	31.5	Very low	42.9	Very low	203 Å²	203	124.6 Å²	124.6	88%	0.883	61%	0.608	S	S	*	*			trans	-67.2	91.2	-171.2	-72.6	-171.8	173.4	-168.4	0	111.3	E628 S632	E628-K630 PolarHBondContact O-N 3.23Å; K630-S632 PolarHBondContact O-N 3.2Å
631	V	32.1	Very low	41	Very low	101 Å²	101	129.7 Å²	129.7	61%	0.612	63%	0.627	S	S	*	*			trans	-57.2	127.9	149.5	-177.7	0	0	0	0	106.8	E629 D635	E629-V631 PolarHBondContact O-N 3.2Å; V631-D635 HydrophobicContact CG1-CB 4.37Å; V631-D635 WeakPolarHBondContact CG1-OD2 3.02Å
632	S	30.4	Very low	39.1	Very low	64 Å²	64	129 Å²	129	45%	0.448	63%	0.627	S	S	.	*			trans	-57.6	142.6	177	13.9	0	0	0	0	110.7	K630 E634	K630-S632 PolarHBondContact O-N 3.2Å; S632-E634 PolarHBondContact O-N 2.98Å
633	E	32.5	Very low	37.2	Very low	167 Å²	167	132.5 Å²	132.5	78%	0.78	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	23.8	-179.9	-59.8	-173.6	129	0	0	114
634	E	36.4	Very low	35.7	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-46.9	-172.8	-55	-166.5	138.5	0	0	109.7	S632 V636 K637	S632-E634 PolarHBondContact O-N 2.98Å; E634-V636 PolarHBondContact O-N 3.23Å; E634-K637 PolarHBondContact O-N 3.13Å
635	D	36.6	Very low	34.6	Very low	101 Å²	101	136.7 Å²	136.7	54%	0.54	69%	0.688	S	S	.	*	H	α-helix	trans	-58.3	-24	174.5	-59.5	-51.9	0	0	0	113.7	V631	V631-D635 HydrophobicContact CG1-CB 4.37Å; V631-D635 WeakPolarHBondContact CG1-OD2 3.02Å
636	V	38.1	Very low	33.7	Very low	96 Å²	96	134.4 Å²	134.4	58%	0.582	68%	0.682	S	S	*	*	H	α-helix	trans	-90.3	-4.8	-177.3	-173.3	0	0	0	0	112.4	E634	E634-V636 PolarHBondContact O-N 3.23Å
637	K	31.1	Very low	33.3	Very low	130 Å²	130	138.2 Å²	138.2	57%	0.565	70%	0.696	S	S	*	*	H	α-helix	trans	-94.2	-41.8	174.6	-78.2	176.1	-178.3	156.9	0	113.4	E634 S639 K640 E641	E634-K637 PolarHBondContact O-N 3.13Å; K637-S639 VanDerWaalsContact C-N 3.3Å; K637-S639 PolarHBondContact O-N 3.36Å; K637-K640 WeakPolarHBondContact O-CA 3.41Å; K637-K640 WeakPolarHBondContact O-CB 3.42Å; K637-K640 PolarHBondContact O-N 2.75Å; K637-E641 PolarHBondContact O-N 2.98Å; K637-E641 VanDerWaalsContact O-N 3.15Å
638	E	32.7	Very low	33.1	Very low	137 Å²	137	137 Å²	137	64%	0.64	70%	0.697	S	S	*	*	H	α-helix	trans	-58.3	-45.2	-176.3	-159.4	162.1	-123.1	0	0	111	K640 E641 E642	E638-K640 PolarHBondContact O-N 3.37Å; E638-E641 PolarHBondContact O-N 3.34Å; E638-E641 VanDerWaalsContact O-N 3.12Å; E638-E642 PolarHBondContact O-N 2.95Å
639	S	35.2	Very low	32.5	Very low	88 Å²	88	134 Å²	134	62%	0.615	69%	0.692	S	S	*	*	H	α-helix	trans	-64.3	5.1	171.8	57.5	0	0	0	0	116.3	K637	K637-S639 VanDerWaalsContact C-N 3.3Å; K637-S639 PolarHBondContact O-N 3.36Å
640	K	31.8	Very low	32.3	Very low	155 Å²	155	132.8 Å²	132.8	67%	0.674	70%	0.696	S	S	*	*	H	α-helix	trans	-121.4	-21.3	172.6	-107.4	177.6	-179	169	0	114.4	K637 E638	K637-K640 WeakPolarHBondContact O-CA 3.41Å; K637-K640 WeakPolarHBondContact O-CB 3.42Å; K637-K640 PolarHBondContact O-N 2.75Å; E638-K640 PolarHBondContact O-N 3.37Å
641	E	31.4	Very low	32.3	Very low	136 Å²	136	133.1 Å²	133.1	64%	0.636	70%	0.697	S	S	*	*	H	α-helix	trans	-93.6	-33.7	179.7	-66.3	-170	143.7	0	0	112.1	K637 E638 A643 Q644	K637-E641 PolarHBondContact O-N 2.98Å; K637-E641 VanDerWaalsContact O-N 3.15Å; E638-E641 PolarHBondContact O-N 3.34Å; E638-E641 VanDerWaalsContact O-N 3.12Å; E641-A643 PolarHBondContact O-N 3.13Å; E641-Q644 PolarHBondContact O-N 3.16Å
642	E	30.8	Very low	32	Very low	148 Å²	148	137.8 Å²	137.8	69%	0.692	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-60	-27.3	169.7	-68.2	-164.5	127.3	0	0	112.7	E638 Q644	E638-E642 PolarHBondContact O-N 2.95Å; E642-Q644 PolarHBondContact O-N 2.83Å
643	A	33.7	Very low	32	Very low	84 Å²	84	142.4 Å²	142.4	69%	0.694	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-74.4	3.1	175.7	0	0	0	0	0	114.3	E641	E641-A643 PolarHBondContact O-N 3.13Å
644	Q	33.8	Very low	31.9	Very low	167 Å²	167	138.1 Å²	138.1	78%	0.78	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-129.8	1.8	-177.4	-64	-157	-37.2	0	0	115.5	E641 E642	E641-Q644 PolarHBondContact O-N 3.16Å; E642-Q644 PolarHBondContact O-N 2.83Å
645	T	30.7	Very low	31.7	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	74%	0.736	S	S	*	*	S	Bend	trans	-107.2	-10.6	-175.5	43.4	0	0	0	0	116.5
646	D	29.8	Very low	31.3	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	75%	0.751	S	S	*	*			trans	-111.7	9.9	-173.9	-122.3	-8.9	0	0	0	115.8	N648	D646-N648 PolarHBondContact O-N 3.08Å
647	E	31.1	Very low	30.9	Very low	202 Å²	202	140.5 Å²	140.5	94%	0.944	75%	0.754	S	S	*	*			trans	-78.3	59.9	166	-83.4	-137.7	116.1	0	0	112.4
648	N	30.8	Very low	30.6	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	77%	0.769	S	S	*	*			trans	-153.5	47.8	160.6	-161.3	26.3	0	0	0	115.9	D646	D646-N648 PolarHBondContact O-N 3.08Å
649	T	28.2	Very low	30.4	Very low	125 Å²	125	139.9 Å²	139.9	77%	0.767	78%	0.775	S	S	*	*	S	Bend	trans	-122.1	114.6	151.9	55.1	0	0	0	0	110.5	F651	T649-F651 PolarHBondContact O-N 3.28Å
650	T	30	Very low	30	Very low	129 Å²	129	144.1 Å²	144.1	79%	0.791	79%	0.79	S	S	*	*			trans	-76.6	120	-172.4	29.3	0	0	0	0	113.3
651	F	30.1	Very low	29.7	Very low	209 Å²	209	142 Å²	142	92%	0.917	80%	0.795	S	S	*	*			trans	-115.7	127.9	149.2	-94	-95.4	0	0	0	108.3	T649 D653	T649-F651 PolarHBondContact O-N 3.28Å; F651-D653 PolarHBondContact O-N 3.38Å
652	E	27.1	Very low	29.5	Very low	200 Å²	200	141.9 Å²	141.9	94%	0.935	80%	0.804	S	S	*	*			trans	-78.2	111.1	176.2	-71.7	-169.7	146.9	0	0	110.2
653	D	29.6	Very low	29.5	Very low	160 Å²	160	146.4 Å²	146.4	86%	0.856	81%	0.814	S	S	*	*			trans	-92.5	132.2	158.5	-115	-36.3	0	0	0	109.9	F651 E655	F651-D653 PolarHBondContact O-N 3.38Å; D653-E655 PolarHBondContact O-N 3.1Å; D653-E655 VanDerWaalsContact O-N 3.13Å
654	G	30.5	Very low	29.3	Very low	78 Å²	78	145.7 Å²	145.7	80%	0.804	82%	0.815	S	S	*	*			trans	-79.5	95.1	-175.4	0	0	0	0	0	112.2
655	E	32.9	Very low	29.2	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	82%	0.815	S	S	*	*			trans	-52	139.6	-180	-67.6	-173.2	-140.1	0	0	114.8	D653	D653-E655 PolarHBondContact O-N 3.1Å; D653-E655 VanDerWaalsContact O-N 3.13Å
656	V	29	Very low	29.2	Very low	142 Å²	142	150.3 Å²	150.3	86%	0.861	82%	0.819	S	S	*	*				-138.9	92.9	127.5	-174.1	0	0	0	0	109.1
657	S	29.1	Very low	29.3	Very low	93 Å²	93	154.8 Å²	154.8	65%	0.65	83%	0.825	S	S	*	*			trans	-82.4	136.9	173.6	-68.9	0	0	0	0	112
658	V	24.8	Very low	29.2	Very low	144 Å²	144	150.1 Å²	150.1	87%	0.873	82%	0.821	S	S	*	*			trans	-105.3	105.7	164.5	-76.6	0	0	0	0	109.7
659	S	28.8	Very low	29	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	82%	0.82	S	S	*	*			trans	-86.7	136.1	-173.8	48.6	0	0	0	0	113
660	L	25.5	Very low	29.1	Very low	177 Å²	177	148.8 Å²	148.8	93%	0.927	83%	0.825	S	S	*	*			trans	-124.2	115.6	168.5	-90.5	169.7	0	0	0	109.2
661	S	26.9	Very low	29	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	83%	0.826	S	S	*	*			trans	-124.8	115.1	178.4	-53.9	0	0	0	0	110.7
662	T	26.8	Very low	29	Very low	133 Å²	133	142.3 Å²	142.3	82%	0.816	82%	0.817	S	S	*	*			trans	-72.5	160.8	150.8	68	0	0	0	0	107.6
663	R	30.3	Very low	29.1	Very low	242 Å²	242	139.2 Å²	139.2	91%	0.913	81%	0.812	S	S	*	*			cis	-164.9	151.6	22.5	-159.2	175.3	-176.1	178.3	1.9	108.8
664	G	29.1	Very low	29.2	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	81%	0.811	S	S	*	*			trans	87.2	84	144.6	0	0	0	0	0	122.4
665	Q	32	Very low	29.1	Very low	166 Å²	166	142.3 Å²	142.3	78%	0.776	81%	0.809	S	S	*	*				78.1	116.8	114.4	-163.9	163.3	-61.6	0	0	123.4
666	R	31.5	Very low	28.8	Very low	219 Å²	219	137.9 Å²	137.9	83%	0.826	81%	0.808	S	S	*	*			trans	90.8	98.9	147	-80.5	172.4	-168.8	-163.3	3.1	123.1
667	R	30.6	Very low	28.9	Very low	236 Å²	236	136.5 Å²	136.5	89%	0.891	80%	0.804	S	S	*	*				112.5	110.8	105.5	-147.5	-178.6	-159.4	-154.3	4.3	120.7
668	A	29.6	Very low	29	Very low	105 Å²	105	141.8 Å²	141.8	87%	0.868	82%	0.815	S	S	*	*			trans	72.8	137	146	0	0	0	0	0	121.7
669	G	27.6	Very low	29.3	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	81%	0.813	S	S	*	*			trans	173.7	15.4	174	0	0	0	0	0	123.6
670	L	29.1	Very low	29.3	Very low	169 Å²	169	145.2 Å²	145.2	89%	0.885	81%	0.811	S	S	*	*			trans	46.6	131.1	166.1	-80.4	86.5	0	0	0	123
671	A	28.4	Very low	29.5	Very low	99 Å²	99	143 Å²	143	82%	0.818	80%	0.799	S	S	*	*			trans	68.6	160.2	138.7	0	0	0	0	0	122
672	S	29.2	Very low	29.5	Very low	103 Å²	103	145.9 Å²	145.9	72%	0.72	80%	0.8	S	S	*	*			cis	171.6	106.9	-43	158.8	0	0	0	0	112.6
673	T	30.7	Very low	29.6	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	80%	0.802	S	S	*	*			trans	-165.3	130.8	155.6	23.9	0	0	0	0	107.7
674	K	31.1	Very low	29.4	Very low	193 Å²	193	135.3 Å²	135.3	84%	0.839	79%	0.793	S	S	*	*				59.2	131.5	61.8	-72.4	-172.7	176.8	178.5	0	114
675	S	28.7	Very low	29.4	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	81%	0.805	S	S	*	*			cis	-171	138.9	-4.7	47	0	0	0	0	111.1
676	G	26.3	Very low	29.1	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	80%	0.798	S	S	*	*				105.6	179.9	103.1	0	0	0	0	0	113.4
677	S	30.8	Very low	29	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	80%	0.798	S	S	*	*			cis	-177.9	116.1	-23.2	-89.5	0	0	0	0	112.2
678	K	30.8	Very low	29.1	Very low	203 Å²	203	128.5 Å²	128.5	88%	0.883	80%	0.797	S	S	*	*			trans	173.2	133.6	156.5	-101.5	160.8	-176.9	-179.6	0	108.7
679	K	32.4	Very low	29	Very low	187 Å²	187	127.1 Å²	127.1	81%	0.813	79%	0.793	S	S	*	*			cis	68.2	138	28	-66.1	-164.7	171.8	-166.6	0	114.1
680	L	28.6	Very low	29	Very low	141 Å²	141	127.5 Å²	127.5	74%	0.738	80%	0.797	S	S	*	*			cis	-138.7	-172	24.9	-143.9	60.2	0	0	0	109.1
681	L	29.4	Very low	29	Very low	129 Å²	129	128.8 Å²	128.8	68%	0.675	80%	0.799	S	S	*	*			cis	-149.9	-93.8	9.2	-179	53.8	0	0	0	114.6
682	E	27.6	Very low	28.9	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	81%	0.805	S	S	*	*			trans	-145.8	172	-162.7	-69.9	163.7	125.6	0	0	110
683	G	27.1	Very low	28.9	Very low	82 Å²	82	136.9 Å²	136.9	85%	0.845	81%	0.81	S	S	*	*			cis	160.1	166.1	2.5	0	0	0	0	0	108.3
684	G	27.3	Very low	28.7	Very low	70 Å²	70	138.5 Å²	138.5	72%	0.722	81%	0.813	S	S	*	*			cis	173.9	171	-4.9	0	0	0	0	0	110.5
685	V	27.7	Very low	29	Very low	161 Å²	161	134.9 Å²	134.9	98%	0.976	81%	0.81	S	S	*	*			trans	67.6	136.9	175	-164.3	0	0	0	0	115.8
686	G	27	Very low	28.9	Very low	60 Å²	60	137.2 Å²	137.2	62%	0.619	81%	0.813	S	S	*	*			cis	149.9	147.8	-7.8	0	0	0	0	0	112.8
687	L	29.3	Very low	29	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	82%	0.815	S	S	*	*			trans	151	103.5	161.1	-83.9	161.7	0	0	0	109.1
688	L	31.5	Very low	28.6	Very low	169 Å²	169	143.4 Å²	143.4	89%	0.885	82%	0.822	S	S	*	*				63.2	127.7	110.7	-63.7	-177.2	0	0	0	116.2
689	G	27.6	Very low	28.4	Very low	76 Å²	76	142 Å²	142	78%	0.784	82%	0.824	S	S	*	*			cis	-171.4	147.8	-5.6	0	0	0	0	0	108.3
690	G	28.9	Very low	27.9	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	82%	0.818	S	S	*	*				106.9	138.8	76.2	0	0	0	0	0	109.3
691	Q	28.5	Very low	27.6	Very low	196 Å²	196	135.2 Å²	135.2	92%	0.916	82%	0.822	S	S	*	*			cis	-140.8	160.6	-0.8	-67.7	176.8	-46	0	0	110.4
692	R	26.8	Very low	27.3	Very low	252 Å²	252	134.3 Å²	134.3	95%	0.951	83%	0.826	S	S	*	*			trans	-131.9	152.5	162.3	-66.6	-173.2	-177.2	-161.7	1.5	108.5
693	S	28.2	Very low	27.3	Very low	119 Å²	119	130.5 Å²	130.5	83%	0.832	82%	0.819	S	S	*	*			trans	-111.9	128.3	171.8	51.5	0	0	0	0	111.2
694	L	26.1	Very low	27.3	Very low	169 Å²	169	136.1 Å²	136.1	89%	0.885	82%	0.82	S	S	*	*			trans	-135.2	151.2	167.4	-80.4	174.5	0	0	0	109
695	P	38.6	Very low	27.3	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	82%	0.822	S	S	*	*			trans	-90.7	151.8	-179.1	35.7	-34.4	0	0	0	112.7
696	N	27.1	Very low	27.3	Very low	158 Å²	158	134.3 Å²	134.3	85%	0.845	82%	0.815	S	S	*	*				-161.8	170.6	115.3	-140.9	-18	0	0	0	112.9
697	C	27.6	Very low	27.3	Very low	113 Å²	113	138.5 Å²	138.5	76%	0.764	82%	0.823	S	S	*	*			trans	-72.1	161.3	-174.2	-54.8	0	0	0	0	115.6
698	E	23.1	Very low	27.2	Very low	201 Å²	201	140.6 Å²	140.6	94%	0.939	82%	0.82	S	S	*	*			trans	-147.3	169.6	140.3	-140.4	174.8	-145	0	0	111.4
699	L	26.2	Very low	27	Very low	174 Å²	174	139 Å²	139	91%	0.911	81%	0.812	S	S	*	*			trans	-145.7	116.5	-158.2	-143.8	171.5	0	0	0	112.3
700	G	22.3	Very low	27.1	Very low	67 Å²	67	139.6 Å²	139.6	69%	0.691	81%	0.81	S	S	*	*			trans	124.8	126.2	146.5	0	0	0	0	0	120.9
701	S	22.3	Very low	27	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	81%	0.808	S	S	*	*			trans	86.7	136.2	136.4	-157.6	0	0	0	0	122
702	S	23.4	Very low	26.9	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	81%	0.809	S	S	*	*			trans	73.9	146	160.6	79.6	0	0	0	0	118.9
703	S	26.8	Very low	26.9	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	80%	0.803	S	S	*	*			cis	-167.2	151.4	-25.3	60	0	0	0	0	112.4
704	K	26.8	Very low	26.8	Very low	200 Å²	200	131.2 Å²	131.2	87%	0.87	80%	0.796	S	S	*	*			trans	64.2	159.1	158.2	-68.1	174.4	179.7	176.6	0	118.4
705	A	26.7	Very low	26.9	Very low	93 Å²	93	131.9 Å²	131.9	77%	0.769	79%	0.791	S	S	*	*			cis	-175.1	138.8	-31	0	0	0	0	0	109.8
706	A	27.6	Very low	26.3	Very low	100 Å²	100	136.2 Å²	136.2	83%	0.826	79%	0.792	S	S	*	*			trans	169.3	146.2	150.5	0	0	0	0	0	110.9
707	N	27	Very low	26.4	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	79%	0.787	S	S	*	*			cis	-163.3	168.5	-27.6	-159.5	2.2	0	0	0	109.6
708	R	28.6	Very low	26.4	Very low	202 Å²	202	141.4 Å²	141.4	76%	0.762	79%	0.79	S	S	*	*			trans	93	116.5	161.2	-70.4	-169	169.2	-174.8	-3.6	121.6
709	D	26.6	Very low	26.6	Very low	135 Å²	135	138 Å²	138	72%	0.722	78%	0.783	S	S	*	*				65.9	147.8	127.3	-45	-20.1	0	0	0	121.3
710	A	29.2	Very low	26.6	Very low	90 Å²	90	136.9 Å²	136.9	74%	0.744	78%	0.777	S	S	*	*			cis	-169	149.9	-31.1	0	0	0	0	0	110.6
711	A	28.6	Very low	26.8	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	78%	0.775	S	S	*	*			trans	41.9	105.5	153.3	0	0	0	0	0	122.1
712	E	26.1	Very low	27.1	Very low	201 Å²	201	139.4 Å²	139.4	94%	0.939	77%	0.771	S	S	*	*				42.3	119.8	106.4	-170	173.3	-153.2	0	0	120.3
713	G	25.6	Very low	27.3	Very low	80 Å²	80	139 Å²	139	83%	0.825	77%	0.768	S	S	*	*			trans	-175	101.5	173.9	0	0	0	0	0	119.1
714	S	26.7	Very low	27.4	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	77%	0.767	S	S	*	*			trans	-46.8	145.4	175.8	-116.1	0	0	0	0	120.5
715	K	27.5	Very low	27.7	Very low	183 Å²	183	136.8 Å²	136.8	80%	0.796	76%	0.761	S	S	*	*			trans	82.5	137.4	136.4	-68.7	159.9	-171	159.5	0	123.3
716	R	26.9	Very low	27.8	Very low	207 Å²	207	138.9 Å²	138.9	78%	0.781	76%	0.759	S	S	*	*			trans	91.4	112.4	140.1	-86.9	179.6	174.6	-177.7	0.5	122.4
717	R	28.5	Very low	27.9	Very low	193 Å²	193	138.1 Å²	138.1	73%	0.728	75%	0.753	S	S	*	*				100.5	113.3	111.4	-179	-174.9	-79.9	-175.2	-7.2	119.9
718	K	28.4	Very low	28	Very low	188 Å²	188	136.8 Å²	136.8	82%	0.817	76%	0.755	S	S	*	*			trans	44.2	128.7	145	-61.5	-172.5	174.3	-167.9	0	118.4
719	T	26.8	Very low	27.9	Very low	130 Å²	130	131 Å²	131	80%	0.798	76%	0.758	S	S	*	*				-157.2	161	79.5	35.2	0	0	0	0	113.4
720	L	27	Very low	28.1	Very low	150 Å²	150	132.7 Å²	132.7	79%	0.785	77%	0.766	S	S	*	*			cis	-147	-74.9	-14.5	-133.1	171.6	0	0	0	116.5
721	S	25.8	Very low	28	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	77%	0.774	S	S	*	*			trans	-174.2	161.2	-161.4	57.3	0	0	0	0	110.5
722	I	27.8	Very low	28.1	Very low	144 Å²	144	143.4 Å²	143.4	74%	0.738	78%	0.779	S	S	*	*				-151.8	118.3	61.2	-77.1	174.8	0	0	0	108
723	S	28.1	Very low	28.4	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	77%	0.771	S	S	*	*				68.2	146.4	106.5	112.4	0	0	0	0	115.2
724	S	28.9	Very low	28.7	Very low	90 Å²	90	142.8 Å²	142.8	63%	0.629	76%	0.763	S	S	*	*			cis	-175.8	156.8	1.7	31.2	0	0	0	0	108.6
725	Q	32.8	Very low	29.4	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	77%	0.773	S	S	*	*			cis	-165.5	164	0.6	-121	-177	102.7	0	0	111
726	N	29.5	Very low	29.4	Very low	137 Å²	137	145.3 Å²	145.3	73%	0.733	77%	0.772	S	S	*	*			trans	31.3	147.1	134.5	-64.8	-5.7	0	0	0	122.2
727	A	28.9	Very low	30	Very low	84 Å²	84	140.6 Å²	140.6	69%	0.694	77%	0.771	S	S	*	*			cis	-179.9	172.1	-1	0	0	0	0	0	109.3
728	S	29.8	Very low	30.1	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	78%	0.775	S	S	*	*			cis	-179.7	145.2	-31.3	62.9	0	0	0	0	108.6
729	G	26.2	Very low	30.6	Very low	81 Å²	81	133.7 Å²	133.7	84%	0.835	78%	0.776	S	S	*	*			trans	-162.7	132	173.4	0	0	0	0	0	113.8
730	L	30.2	Very low	30.9	Very low	170 Å²	170	131.2 Å²	131.2	89%	0.89	77%	0.769	S	S	*	*			trans	-99.3	145	178.9	-64.4	96.9	0	0	0	112.1
731	K	28.6	Very low	31.3	Very low	212 Å²	212	128.9 Å²	128.9	92%	0.922	76%	0.763	S	S	*	*			trans	-163.3	174.4	133.1	-109.2	160.7	-173.1	179.9	0	111.8
732	K	29.8	Very low	32	Very low	194 Å²	194	131.2 Å²	131.2	84%	0.843	78%	0.775	S	S	*	*			trans	-84.7	165	-174.6	-62.9	179.5	173.9	-175.2	0	112.3
733	E	33.4	Very low	32.9	Very low	166 Å²	166	126.4 Å²	126.4	78%	0.776	76%	0.762	S	S	*	*			trans	-21	145.3	146	-50.9	-64	112.5	0	0	114.3
734	P	30.8	Very low	34.3	Very low	102 Å²	102	123.6 Å²	123.6	66%	0.662	75%	0.749	S	S	*	*				-123.6	164.2	87.5	38.3	-35.6	0	0	0	114.7
735	E	41.6	Very low	35.8	Very low	189 Å²	189	124.8 Å²	124.8	88%	0.883	75%	0.745	S	S	*	*			trans	-61.3	129.8	155.6	-60.9	171.6	119.2	0	0	108.9
736	D	27.5	Very low	37.6	Very low	144 Å²	144	124 Å²	124	77%	0.77	74%	0.742	S	S	*	*			trans	-135.5	125.2	170.2	-119.6	-37.8	0	0	0	109.3	A738	D736-A738 PolarHBondContact O-N 3.33Å
737	S	40.7	Very low	39.8	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	73%	0.73	S	S	*	*			trans	-75.1	97.7	-177.5	55.3	0	0	0	0	110.2	V739	S737-V739 PolarHBondContact O-N 3.49Å
738	A	30.5	Very low	42.1	Very low	100 Å²	100	118.4 Å²	118.4	83%	0.826	71%	0.714	S	S	*	*			trans	-65.6	94.4	179.3	0	0	0	0	0	111.8	D736 A740	D736-A738 PolarHBondContact O-N 3.33Å; A738-A740 PolarHBondContact O-N 3.05Å
739	V	38.5	Very low	44.5	Very low	136 Å²	136	115.4 Å²	115.4	82%	0.824	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-60.7	121.5	164.9	176.7	0	0	0	0	108	S737	S737-V739 PolarHBondContact O-N 3.49Å
740	A	32.1	Very low	47.1	Very low	79 Å²	79	117.3 Å²	117.3	65%	0.653	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-62.4	144.6	-179.9	0	0	0	0	0	111.4	A738	A738-A740 PolarHBondContact O-N 3.05Å
741	P	35.5	Very low	49.6	Very low	101 Å²	101	116.2 Å²	116.2	66%	0.656	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-67.1	143.2	177.4	28.7	-34.6	0	0	0	110.7	G743 G744	P741-G743 PolarHBondContact O-N 2.96Å; P741-G744 PolarHBondContact O-N 3.1Å; P741-G744 VanDerWaalsContact O-N 3.15Å
742	P	41	Very low	52.2	Low	141 Å²	141	106.3 Å²	106.3	92%	0.916	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	5.3	-171.1	28.5	-36.6	0	0	0	115.5
743	G	46.1	Very low	54.7	Low	44 Å²	44	98.7 Å²	98.7	45%	0.454	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	5	172.8	0	0	0	0	0	114.6	P741	P741-G743 PolarHBondContact O-N 2.96Å
744	G	57	Low	57.2	Low	42 Å²	42	94.5 Å²	94.5	43%	0.433	58%	0.577	S	S	.	*	H	α-helix	trans	-70.1	-42.1	-175.8	0	0	0	0	0	114.7	P741 A748	P741-G744 PolarHBondContact O-N 3.1Å; P741-G744 VanDerWaalsContact O-N 3.15Å; G744-A748 PolarHBondContact O-N 2.9Å
745	M	61.6	Low	59.8	Low	114 Å²	114	91.7 Å²	91.7	56%	0.562	56%	0.559	S	S	*	*	H	α-helix	trans	-70.8	-47.2	-176.7	-69.1	-179.4	-177.1	0	0	112.6	A747 A748 E749	M745-A747 VanDerWaalsContact C-N 3.26Å; M745-A747 PolarHBondContact O-N 3.25Å; M745-A748 WeakPolarHBondContact O-CB 3.46Å; M745-A748 PolarHBondContact O-N 2.82Å; M745-E749 PolarHBondContact O-N 3.36Å
746	E	71.4	Confident	62	Low	141 Å²	141	82.8 Å²	82.8	66%	0.659	52%	0.518	S	S	*	.	H	α-helix	trans	-60.6	-37	-179.6	-170.2	175.8	-161.3	0	0	111.4	Q750	E746-Q750 WeakPolarHBondContact O-CB 3.36Å; E746-Q750 PolarHBondContact O-N 3.24Å
747	A	75.6	Confident	64.9	Low	59 Å²	59	79.4 Å²	79.4	49%	0.488	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-39.9	172.7	0	0	0	0	0	112.9	M745 Q750 Q751	M745-A747 VanDerWaalsContact C-N 3.26Å; M745-A747 PolarHBondContact O-N 3.25Å; A747-Q750 PolarHBondContact O-N 3.08Å; A747-Q751 WeakPolarHBondContact O-CB 3.32Å; A747-Q751 PolarHBondContact O-N 3.06Å
748	A	76.6	Confident	67.3	Low	44 Å²	44	80.3 Å²	80.3	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-68.8	-39.6	176.5	0	0	0	0	0	112.2	G744 M745 Q751 A752	G744-A748 PolarHBondContact O-N 2.9Å; M745-A748 WeakPolarHBondContact O-CB 3.46Å; M745-A748 PolarHBondContact O-N 2.82Å; A748-Q751 PolarHBondContact O-N 2.98Å; A748-A752 WeakPolarHBondContact O-CB 3.2Å; A748-A752 PolarHBondContact O-N 3.41Å
749	E	79.4	Confident	70.3	Confident	56 Å²	56	77.4 Å²	77.4	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-47.8	171.8	172.8	171.3	-172.4	0	0	111.3	V622 M745 Q751 A752 L753	V622-E749 HydrophobicContact CB-CG 4.07Å; V622-E749 HydrophobicContact CG2-CG 4.28Å; M745-E749 PolarHBondContact O-N 3.36Å; E749-Q751 VanDerWaalsContact C-N 3.27Å; E749-Q751 PolarHBondContact O-N 3.26Å; E749-A752 WeakPolarHBondContact O-CB 3.31Å; E749-A752 PolarHBondContact O-N 2.74Å; E749-L753 HydrophobicContact CG-CD1 4.15Å; E749-L753 WeakPolarHBondContact O-CG 3.3Å; E749-L753 PolarHBondContact O-N 2.95Å
750	Q	80.9	Confident	72.8	Confident	121 Å²	121	74.1 Å²	74.1	57%	0.565	44%	0.435	S	S	*	.	H	α-helix	trans	-62.2	-36.4	177.8	-158	74.6	68.2	0	0	111.7	E746 A747 T754	E746-Q750 WeakPolarHBondContact O-CB 3.36Å; E746-Q750 PolarHBondContact O-N 3.24Å; A747-Q750 PolarHBondContact O-N 3.08Å; Q750-T754 WeakPolarHBondContact O-CB 3.44Å; Q750-T754 PolarHBondContact O-N 2.97Å; Q750-T754 PolarHBondContact O-OG1 2.81Å
751	Q	83	Confident	75.6	Confident	148 Å²	148	71.9 Å²	71.9	69%	0.692	42%	0.419	S	S	*	.	H	α-helix	trans	-68.8	-42.4	174.8	-175.4	174.8	-9.3	0	0	112.2	A747 A748 E749 T754 S755	A747-Q751 WeakPolarHBondContact O-CB 3.32Å; A747-Q751 PolarHBondContact O-N 3.06Å; A748-Q751 PolarHBondContact O-N 2.98Å; E749-Q751 VanDerWaalsContact C-N 3.27Å; E749-Q751 PolarHBondContact O-N 3.26Å; Q751-T754 PolarHBondContact O-N 2.91Å; Q751-S755 PolarHBondContact O-N 3.31Å
752	A	82.6	Confident	78.4	Confident	4 Å²	4	71.2 Å²	71.2	3%	0.033	41%	0.406	C	S	.	.	H	α-helix	trans	-61.5	-44.5	174.4	0	0	0	0	0	112.8	L176 V622 A748 E749 T754 S755 L756	L176-A752 HydrophobicContact CB-CB 3.94Å; L176-A752 HydrophobicContact CD2-CB 4.41Å; V622-A752 HydrophobicContact CG2-CB 4.16Å; A748-A752 WeakPolarHBondContact O-CB 3.2Å; A748-A752 PolarHBondContact O-N 3.41Å; E749-A752 WeakPolarHBondContact O-CB 3.31Å; E749-A752 PolarHBondContact O-N 2.74Å; A752-T754 VanDerWaalsContact C-N 3.29Å; A752-T754 PolarHBondContact O-N 2.89Å; A752-S755 PolarHBondContact O-N 3.29Å; A752-S755 PolarHBondContact O-OG 2.89Å; A752-L756 PolarHBondContact O-N 3.05Å
753	L	82.9	Confident	81	Confident	34 Å²	34	64.5 Å²	64.5	18%	0.178	36%	0.363	C	S	.	.	H	α-helix	trans	-65.8	-33.9	173.8	-69.8	173	0	0	0	111.6	A620 V622 E749 L756 L757	A620-L753 HydrophobicContact CB-CD2 4.11Å; A620-L753 WeakPolarHBondContact O-CD2 3.27Å; V622-L753 HydrophobicContact CG2-CD2 3.9Å; V622-L753 HydrophobicContact CG2-CG 3.97Å; E749-L753 HydrophobicContact CG-CD1 4.15Å; E749-L753 WeakPolarHBondContact O-CG 3.3Å; E749-L753 PolarHBondContact O-N 2.95Å; L753-L756 HydrophobicContact CD2-CD1 4.43Å; L753-L756 PolarHBondContact O-N 2.88Å; L753-L757 PolarHBondContact O-N 2.86Å
754	T	84.9	Confident	83.4	Confident	78 Å²	78	62.4 Å²	62.4	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-68.6	-38.2	176.9	-57.7	0	0	0	0	112.2	Q750 Q751 A752 L756 L757	Q750-T754 WeakPolarHBondContact O-CB 3.44Å; Q750-T754 PolarHBondContact O-N 2.97Å; Q750-T754 PolarHBondContact O-OG1 2.81Å; Q751-T754 PolarHBondContact O-N 2.91Å; A752-T754 VanDerWaalsContact C-N 3.29Å; A752-T754 PolarHBondContact O-N 2.89Å; T754-L756 VanDerWaalsContact C-N 3.34Å; T754-L756 PolarHBondContact O-N 3Å; T754-L757 WeakPolarHBondContact O-CB 3.35Å; T754-L757 PolarHBondContact O-N 3.1Å; T754-L757 VanDerWaalsContact O-N 3.16Å
755	S	86.1	Confident	85.3	Confident	42 Å²	42	60.8 Å²	60.8	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-70.6	-27.9	177.7	68.2	0	0	0	0	113	Q751 A752 L757 E758 Y759	Q751-S755 PolarHBondContact O-N 3.31Å; A752-S755 PolarHBondContact O-N 3.29Å; A752-S755 PolarHBondContact O-OG 2.89Å; S755-L757 VanDerWaalsContact C-N 3.32Å; S755-L757 PolarHBondContact O-N 3.01Å; S755-E758 WeakPolarHBondContact O-CB 3.49Å; S755-E758 PolarHBondContact O-N 2.72Å; S755-Y759 WeakPolarHBondContact O-CD2 3.42Å
756	L	88.1	Confident	87	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-40.2	167.7	-73.8	-179.4	0	0	0	112	P86 F87 L176 L617 A620 A752 L753 T754 E758 Y759	P86-L756 HydrophobicContact CB-CD2 4.08Å; P86-L756 HydrophobicContact CG-CD2 3.88Å; F87-L756 HydrophobicContact CE1-CD2 4.35Å; F87-L756 HydrophobicContact CE2-CD2 4.49Å; F87-L756 HydrophobicContact CZ-CD2 4.01Å; L176-L756 HydrophobicContact CD1-CD1 3.83Å; L176-L756 HydrophobicContact CD1-CD2 4.11Å; L176-L756 HydrophobicContact CD1-CG 3.96Å; L176-L756 HydrophobicContact CD2-CD2 4.08Å; L176-L756 HydrophobicContact CD2-CG 4.07Å; L617-L756 WeakPolarHBondContact CD1-O 3.48Å; A620-L756 HydrophobicContact CB-CD1 3.82Å; A752-L756 PolarHBondContact O-N 3.05Å; L753-L756 HydrophobicContact CD2-CD1 4.43Å; L753-L756 PolarHBondContact O-N 2.88Å; T754-L756 VanDerWaalsContact C-N 3.34Å; T754-L756 PolarHBondContact O-N 3Å; L756-E758 PolarHBondContact O-N 2.8Å; L756-E758 VanDerWaalsContact O-N 3.13Å; L756-Y759 WeakPolarHBondContact O-CB 3.38Å; L756-Y759 PolarHBondContact O-N 2.82Å
757	L	89	Confident	88.2	Confident	72 Å²	72	50.7 Å²	50.7	38%	0.377	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-20.4	-178.7	-62.6	177.1	0	0	0	113.3	L617 K618 L753 T754 S755 Y759 E760	L617-L757 HydrophobicContact CB-CD2 4.2Å; K618-L757 HydrophobicContact CB-CD2 4.41Å; K618-L757 HydrophobicContact CG-CD2 3.61Å; L753-L757 PolarHBondContact O-N 2.86Å; T754-L757 WeakPolarHBondContact O-CB 3.35Å; T754-L757 PolarHBondContact O-N 3.1Å; T754-L757 VanDerWaalsContact O-N 3.16Å; S755-L757 VanDerWaalsContact C-N 3.32Å; S755-L757 PolarHBondContact O-N 3.01Å; L757-Y759 PolarHBondContact O-N 3.3Å; L757-E760 WeakPolarHBondContact O-CB 3.31Å; L757-E760 PolarHBondContact O-N 3.36Å
758	E	90.5	Very high	89.2	Confident	128 Å²	128	49 Å²	49	60%	0.598	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.5	171.5	-60.4	-173.1	-167	0	0	113.2	S755 L756 K762	S755-E758 WeakPolarHBondContact O-CB 3.49Å; S755-E758 PolarHBondContact O-N 2.72Å; L756-E758 PolarHBondContact O-N 2.8Å; L756-E758 VanDerWaalsContact O-N 3.13Å; E758-K762 WeakPolarHBondContact O-CE 3.48Å; E758-K762 PolarHBondContact O-NZ 3.16Å
759	Y	92.4	Very high	90.1	Very high	39 Å²	39	48.9 Å²	48.9	15%	0.153	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-9	179.1	-63.7	-96.2	0	0	0	113.6	V85 P86 F87 M614 S755 L756 L757 G761 K762 L764 L773	V85-Y759 HydrophobicContact CB-CE1 4.14Å; V85-Y759 HydrophobicContact CG1-CE1 3.94Å; P86-Y759 VanDerWaalsContact CD-CZ 3.48Å; P86-Y759 WeakPolarHBondContact CD-OH 3.24Å; P86-Y759 HydrophobicContact CG-CD2 4.21Å; P86-Y759 HydrophobicContact CG-CE2 3.7Å; F87-Y759 AromaticContact CE2-CD1 3.72Å; F87-Y759 HydrophobicContact CE2-CD1 3.72Å; F87-Y759 AromaticContact CE2-CD2 3.94Å; F87-Y759 HydrophobicContact CE2-CD2 3.94Å; F87-Y759 HydrophobicContact CE2-CE1 4.21Å; F87-Y759 HydrophobicContact CE2-CE2 4.43Å; F87-Y759 AromaticContact CE2-CG 3.56Å; F87-Y759 HydrophobicContact CE2-CG 3.56Å; F87-Y759 HydrophobicContact CZ-CD1 4.48Å; F87-Y759 HydrophobicContact CZ-CD2 4.37Å; F87-Y759 AromaticContact CZ-CG 3.98Å; F87-Y759 HydrophobicContact CZ-CG 3.98Å; M614-Y759 WeakPolarHBondContact CB-O 3.44Å; S755-Y759 WeakPolarHBondContact O-CD2 3.42Å; L756-Y759 WeakPolarHBondContact O-CB 3.38Å; L756-Y759 PolarHBondContact O-N 2.82Å; L757-Y759 PolarHBondContact O-N 3.3Å; Y759-G761 PolarHBondContact O-N 2.83Å; Y759-K762 WeakPolarHBondContact O-CB 3.28Å; Y759-K762 PolarHBondContact O-N 3.05Å; Y759-L764 HydrophobicContact CD1-CD2 4.27Å; Y759-L773 HydrophobicContact CD1-CD1 3.98Å; Y759-L773 HydrophobicContact CE1-CD1 4.18Å; Y759-L773 HydrophobicContact CE1-CD2 4.46Å
760	E	92.4	Very high	90.7	Very high	67 Å²	67	50.9 Å²	50.9	31%	0.313	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.4	178.7	-173.3	77.8	-174.1	0	0	110.7	S615 N616 L617 L757 K762	S615-E760 WeakPolarHBondContact CA-OE1 3.35Å; N616-E760 PolarHBondContact N-OE1 2.65Å; N616-E760 PolarHBondContact N-OE2 3.36Å; L617-E760 VanDerWaalsContact CB-OE2 3.31Å; L617-E760 WeakPolarHBondContact CB-OE2 3.41Å; L617-E760 WeakPolarHBondContact CG-OE2 3.41Å; L617-E760 PolarHBondContact N-OE2 3.48Å; L757-E760 WeakPolarHBondContact O-CB 3.31Å; L757-E760 PolarHBondContact O-N 3.36Å; E760-K762 VanDerWaalsContact C-N 3.25Å; E760-K762 PolarHBondContact O-N 3.49Å
761	G	91.2	Very high	91.4	Very high	31 Å²	31	45.8 Å²	45.8	32%	0.32	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-13	-176.7	0	0	0	0	0	115.8	R613 M614 Y759	R613-G761 WeakPolarHBondContact CG-O 3.21Å; R613-G761 PolarHBondContact NE-O 2.67Å; R613-G761 VanDerWaalsContact NE-O 3.09Å; M614-G761 WeakPolarHBondContact O-CA 3.18Å; M614-G761 PolarHBondContact O-N 2.57Å; Y759-G761 PolarHBondContact O-N 2.83Å
762	K	93.8	Very high	91.9	Very high	87 Å²	87	43.3 Å²	43.3	38%	0.378	23%	0.225	S	C	.	.			trans	-79.1	157.1	176.5	-58.2	-173.2	-176.3	157.1	0	111.5	R613 M614 E758 Y759 E760 L773	R613-K762 WeakPolarHBondContact CA-O 3.14Å; M614-K762 PolarHBondContact N-O 3.09Å; E758-K762 WeakPolarHBondContact O-CE 3.48Å; E758-K762 PolarHBondContact O-NZ 3.16Å; Y759-K762 WeakPolarHBondContact O-CB 3.28Å; Y759-K762 PolarHBondContact O-N 3.05Å; E760-K762 VanDerWaalsContact C-N 3.25Å; E760-K762 PolarHBondContact O-N 3.49Å; K762-L773 HydrophobicContact CB-CD1 3.98Å; K762-L773 HydrophobicContact CD-CD1 3.9Å; K762-L773 HydrophobicContact CD-CD2 4.45Å
763	W	96	Very high	92.4	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.4	174.9	-67.5	88.5	0	0	0	110.9	L571 L592 I612 R613 F774 E776 F779	L571-W763 HydrophobicContact CD2-CZ2 4Å; L592-W763 HydrophobicContact CD2-CH2 4.28Å; L592-W763 HydrophobicContact CG-CH2 4.15Å; I612-W763 WeakPolarHBondContact O-CA 3.32Å; R613-W763 HydrophobicContact CB-CD2 3.83Å; R613-W763 HydrophobicContact CB-CE3 3.82Å; R613-W763 HydrophobicContact CB-CH2 3.76Å; R613-W763 HydrophobicContact CB-CZ2 3.76Å; R613-W763 HydrophobicContact CB-CZ3 3.79Å; R613-W763 HydrophobicContact CG-CD2 4.03Å; R613-W763 HydrophobicContact CG-CG 4.4Å; R613-W763 HydrophobicContact CG-CH2 4.46Å; R613-W763 HydrophobicContact CG-CZ2 3.96Å; W763-F774 HydrophobicContact CB-CB 4.25Å; W763-F774 PolarHBondContact O-N 3.26Å; W763-F774 VanDerWaalsContact O-O 3.13Å; W763-E776 PolarHBondContact NE1-OE2 3.04Å; W763-E776 VanDerWaalsContact NE1-OE2 3.12Å; W763-F779 AromaticContact CD2-CD1 3.91Å; W763-F779 HydrophobicContact CD2-CD1 3.91Å; W763-F779 AromaticContact CD2-CD2 3.94Å; W763-F779 HydrophobicContact CD2-CD2 3.94Å; W763-F779 HydrophobicContact CD2-CE1 4.07Å; W763-F779 HydrophobicContact CD2-CE2 4.09Å; W763-F779 AromaticContact CD2-CG 3.84Å; W763-F779 HydrophobicContact CD2-CG 3.84Å; W763-F779 HydrophobicContact CD2-CZ 4.15Å; W763-F779 AromaticContact CE2-CD1 3.6Å; W763-F779 AromaticContact CE2-CE1 3.59Å; W763-F779 HydrophobicContact CE3-CD1 4.43Å; W763-F779 AromaticContact CE3-CD2 3.84Å; W763-F779 HydrophobicContact CE3-CD2 3.84Å; W763-F779 HydrophobicContact CE3-CE1 4.28Å; W763-F779 AromaticContact CE3-CE2 3.65Å; W763-F779 HydrophobicContact CE3-CE2 3.65Å; W763-F779 HydrophobicContact CE3-CG 4.23Å; W763-F779 AromaticContact CE3-CZ 3.89Å; W763-F779 HydrophobicContact CE3-CZ 3.89Å; W763-F779 HydrophobicContact CG-CB 4.23Å; W763-F779 HydrophobicContact CG-CD1 4.31Å; W763-F779 HydrophobicContact CG-CD2 4.38Å; W763-F779 HydrophobicContact CG-CG 4.03Å; W763-F779 HydrophobicContact CH2-CD1 4.43Å; W763-F779 AromaticContact CH2-CE1 3.63Å; W763-F779 HydrophobicContact CH2-CE1 3.63Å; W763-F779 AromaticContact CH2-CE2 3.98Å; W763-F779 HydrophobicContact CH2-CE2 3.98Å; W763-F779 AromaticContact CH2-CZ 3.35Å; W763-F779 HydrophobicContact CH2-CZ 3.35Å; W763-F779 AromaticContact CZ2-CD1 3.89Å; W763-F779 HydrophobicContact CZ2-CD1 3.89Å; W763-F779 AromaticContact CZ2-CE1 3.36Å; W763-F779 HydrophobicContact CZ2-CE1 3.36Å; W763-F779 HydrophobicContact CZ2-CE2 4.38Å; W763-F779 AromaticContact CZ2-CZ 3.64Å; W763-F779 HydrophobicContact CZ2-CZ 3.64Å; W763-F779 HydrophobicContact CZ3-CD2 4.26Å; W763-F779 HydrophobicContact CZ3-CE1 4.08Å; W763-F779 AromaticContact CZ3-CE2 3.59Å; W763-F779 HydrophobicContact CZ3-CE2 3.59Å; W763-F779 AromaticContact CZ3-CZ 3.48Å; W763-F779 HydrophobicContact CZ3-CZ 3.48Å; W763-F779 VanDerWaalsContact CZ3-CZ 3.48Å; W763-F779 AromaticContact NE1-CD1 3.82Å
764	L	96.2	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.7	166.9	-59.4	-177.8	0	0	0	109.4	F87 Y611 I612 M614 Y759 F766 V771 R772 L773	F87-L764 HydrophobicContact CB-CD1 3.85Å; F87-L764 HydrophobicContact CD1-CD1 3.74Å; F87-L764 HydrophobicContact CD2-CD1 3.39Å; F87-L764 HydrophobicContact CD2-CD2 4.5Å; F87-L764 HydrophobicContact CE1-CD1 4.12Å; F87-L764 HydrophobicContact CE2-CD1 3.8Å; F87-L764 HydrophobicContact CG-CD1 3.35Å; F87-L764 HydrophobicContact CZ-CD1 4.15Å; Y611-L764 CarbonylContact C-O 3.55Å; Y611-L764 VanDerWaalsContact CA-O 3.32Å; Y611-L764 WeakPolarHBondContact CA-O 3.46Å; I612-L764 PolarHBondContact N-O 3.15Å; I612-L764 PolarHBondContact O-N 3.35Å; M614-L764 HydrophobicContact CE-CB 4.27Å; M614-L764 HydrophobicContact CE-CD1 3.8Å; M614-L764 HydrophobicContact CE-CG 4.08Å; M614-L764 HydrophobicContact CG-CD1 3.86Å; M614-L764 HydrophobicContact CG-CG 3.98Å; M614-L764 HydrophobicContact SD-CD1 3.6Å; M614-L764 HydrophobicContact SD-CG 4.25Å; Y759-L764 HydrophobicContact CD1-CD2 4.27Å; L764-F766 HydrophobicContact CB-CD2 4.29Å; L764-F766 HydrophobicContact CB-CE2 3.69Å; L764-F766 HydrophobicContact CB-CZ 4.23Å; L764-F766 HydrophobicContact CD1-CE2 4.17Å; L764-F766 HydrophobicContact CD1-CZ 3.93Å; L764-V771 HydrophobicContact CB-CG1 4.22Å; L764-V771 HydrophobicContact CD1-CG1 4.15Å; L764-R772 WeakPolarHBondContact CA-O 2.95Å; L764-L773 HydrophobicContact CD2-CB 4.47Å; L764-L773 HydrophobicContact CD2-CD1 3.77Å
765	L	96.6	Very high	93	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.2	166	173.9	57.1	0	0	0	108.9	Y611 D767 V771 R772 F774	Y611-L765 HydrophobicContact CD1-CB 3.92Å; Y611-L765 HydrophobicContact CD1-CD1 4.03Å; Y611-L765 HydrophobicContact CD1-CG 4.49Å; Y611-L765 HydrophobicContact CE1-CB 3.75Å; Y611-L765 HydrophobicContact CE1-CD1 3.79Å; Y611-L765 HydrophobicContact CE1-CD2 4.1Å; Y611-L765 HydrophobicContact CE1-CG 4.08Å; Y611-L765 HydrophobicContact CE2-CD1 4.4Å; Y611-L765 HydrophobicContact CG-CD1 4.43Å; L765-D767 HydrophobicContact CG-CB 4.5Å; L765-V771 WeakPolarHBondContact O-CA 3.27Å; L765-R772 PolarHBondContact N-O 3.34Å; L765-R772 PolarHBondContact O-N 2.88Å; L765-F774 HydrophobicContact CB-CD2 4.39Å; L765-F774 HydrophobicContact CD2-CE2 4.36Å
766	F	97.3	Very high	93.1	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.5	169.3	-66.2	-92.3	0	0	0	109.1	F87 Q104 Y108 T610 I612 M614 L764 V771	F87-F766 HydrophobicContact CB-CE1 4.44Å; F87-F766 HydrophobicContact CB-CZ 4.39Å; Q104-F766 HydrophobicContact CB-CB 4.49Å; Q104-F766 HydrophobicContact CB-CG 4.41Å; Q104-F766 VanDerWaalsContact CD-CD1 3.46Å; Q104-F766 HydrophobicContact CG-CB 4.13Å; Q104-F766 HydrophobicContact CG-CD1 4.05Å; Q104-F766 HydrophobicContact CG-CG 4.14Å; Q104-F766 VanDerWaalsContact NE2-CD1 3.26Å; Y108-F766 HydrophobicContact CD2-CE2 4.4Å; Y108-F766 HydrophobicContact CD2-CZ 4.26Å; Y108-F766 AromaticContact CE2-CE1 3.89Å; Y108-F766 HydrophobicContact CE2-CE1 3.89Å; Y108-F766 AromaticContact CE2-CE2 3.91Å; Y108-F766 HydrophobicContact CE2-CE2 3.91Å; Y108-F766 AromaticContact CE2-CZ 3.35Å; Y108-F766 HydrophobicContact CE2-CZ 3.35Å; Y108-F766 AromaticContact CZ-CZ 3.66Å; T610-F766 PolarHBondContact N-O 2.71Å; T610-F766 PolarHBondContact O-N 3.29Å; I612-F766 HydrophobicContact CB-CD2 4.36Å; I612-F766 HydrophobicContact CB-CE2 4.06Å; I612-F766 HydrophobicContact CD1-CD2 3.81Å; I612-F766 HydrophobicContact CD1-CE2 3.84Å; I612-F766 HydrophobicContact CG1-CD2 3.95Å; I612-F766 HydrophobicContact CG1-CE2 4.07Å; M614-F766 HydrophobicContact CE-CE2 4.1Å; M614-F766 HydrophobicContact CE-CZ 4.44Å; L764-F766 HydrophobicContact CB-CD2 4.29Å; L764-F766 HydrophobicContact CB-CE2 3.69Å; L764-F766 HydrophobicContact CB-CZ 4.23Å; L764-F766 HydrophobicContact CD1-CE2 4.17Å; L764-F766 HydrophobicContact CD1-CZ 3.93Å; F766-V771 HydrophobicContact CD1-CB 4.28Å; F766-V771 HydrophobicContact CD1-CG1 3.76Å; F766-V771 HydrophobicContact CD1-CG2 3.56Å; F766-V771 HydrophobicContact CE1-CB 4.26Å; F766-V771 HydrophobicContact CE1-CG1 3.5Å; F766-V771 HydrophobicContact CE1-CG2 3.66Å; F766-V771 HydrophobicContact CE2-CG1 4.32Å; F766-V771 HydrophobicContact CG-CG1 4.28Å; F766-V771 HydrophobicContact CZ-CG1 3.8Å
767	D	96.4	Very high	93.1	Very high	37 Å²	37	57.7 Å²	57.7	20%	0.198	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	77.3	-174.6	-162.5	-8.1	0	0	0	107.6	H607 T609 L765 S769 E770 R772	H607-D767 IonicContact CD2-OD1 3.8Å; H607-D767 IonicContact CE1-OD1 3.04Å; H607-D767 IonicContact NE2-OD1 3.27Å; H607-D767 PolarHBondContact NE2-OD1 3.15Å; T609-D767 HydrophobicContact CG2-CB 4.18Å; T609-D767 VanDerWaalsContact CG2-OD1 3.25Å; T609-D767 WeakPolarHBondContact CG2-OD1 3.06Å; L765-D767 HydrophobicContact CG-CB 4.5Å; D767-S769 PolarHBondContact O-N 2.93Å; D767-E770 HydrophobicContact CB-CB 4.32Å; D767-E770 PolarHBondContact N-O 3.41Å; D767-E770 PolarHBondContact O-N 3.44Å; D767-R772 IonicContact OD2-CZ 2.85Å; D767-R772 IonicContact OD2-NH1 3.47Å; D767-R772 IonicContact OD2-NH2 2.84Å; D767-R772 PolarHBondContact OD2-NH2 3.34Å
768	D	96.3	Very high	93	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.123	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	-108.2	-163.7	-70.2	-47.2	0	0	0	112.9	G89 L90 N92 N100 H607	G89-D768 CarbonylContact C-O 3.6Å; G89-D768 WeakPolarHBondContact CA-O 3.44Å; L90-D768 PolarHBondContact N-O 2.99Å; L90-D768 CarbonylContact O-C 3.51Å; L90-D768 WeakPolarHBondContact O-CA 3.21Å; N92-D768 HydrophobicContact CB-CB 4.05Å; N92-D768 WeakPolarHBondContact CB-OD2 3.38Å; N92-D768 PolarHBondContact ND2-OD2 3.03Å; N100-D768 WeakPolarHBondContact CB-OD1 3.33Å; N100-D768 PolarHBondContact ND2-OD1 3.46Å; H607-D768 IonicContact CE1-OD2 2.67Å; H607-D768 PolarHBondContact CE1-OD2 3.1Å
769	S	95.3	Very high	92.9	Very high	43 Å²	43	50.8 Å²	50.8	30%	0.301	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14	-178.9	45.5	0	0	0	0	113.9	L90 D767	L90-S769 PolarHBondContact O-N 3.38Å; D767-S769 PolarHBondContact O-N 2.93Å
770	E	93.7	Very high	92.7	Very high	97 Å²	97	52 Å²	52	45%	0.453	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.9	174.7	-66.1	-178.3	-154.2	0	0	110.6	D767 R772	D767-E770 HydrophobicContact CB-CB 4.32Å; D767-E770 PolarHBondContact N-O 3.41Å; D767-E770 PolarHBondContact O-N 3.44Å; E770-R772 IonicContact OE2-CZ 3.47Å; E770-R772 IonicContact OE2-NE 2.79Å; E770-R772 PolarHBondContact OE2-NE 2.6Å; E770-R772 IonicContact OE2-NH2 3.08Å; E770-R772 PolarHBondContact OE2-NH2 3.16Å
771	V	94.9	Very high	92.4	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.5	168.5	-165.6	0	0	0	0	108.2	V85 F87 L764 L765 F766	V85-V771 HydrophobicContact CG2-CB 3.91Å; V85-V771 HydrophobicContact CG2-CG1 3.81Å; V85-V771 WeakPolarHBondContact CG2-O 3.37Å; F87-V771 HydrophobicContact CB-CG1 4.03Å; F87-V771 WeakPolarHBondContact O-CG2 3.45Å; L764-V771 HydrophobicContact CB-CG1 4.22Å; L764-V771 HydrophobicContact CD1-CG1 4.15Å; L765-V771 WeakPolarHBondContact O-CA 3.27Å; F766-V771 HydrophobicContact CD1-CB 4.28Å; F766-V771 HydrophobicContact CD1-CG1 3.76Å; F766-V771 HydrophobicContact CD1-CG2 3.56Å; F766-V771 HydrophobicContact CE1-CB 4.26Å; F766-V771 HydrophobicContact CE1-CG1 3.5Å; F766-V771 HydrophobicContact CE1-CG2 3.66Å; F766-V771 HydrophobicContact CE2-CG1 4.32Å; F766-V771 HydrophobicContact CG-CG1 4.28Å; F766-V771 HydrophobicContact CZ-CG1 3.8Å
772	R	93.1	Very high	92.1	Very high	95 Å²	95	54.5 Å²	54.5	36%	0.358	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.8	-175.4	-58.2	-175.3	-133	116.6	8.3	110.5	L764 L765 D767 E770	L764-R772 WeakPolarHBondContact CA-O 2.95Å; L765-R772 PolarHBondContact N-O 3.34Å; L765-R772 PolarHBondContact O-N 2.88Å; D767-R772 IonicContact OD2-CZ 2.85Å; D767-R772 IonicContact OD2-NH1 3.47Å; D767-R772 IonicContact OD2-NH2 2.84Å; D767-R772 PolarHBondContact OD2-NH2 3.34Å; E770-R772 IonicContact OE2-CZ 3.47Å; E770-R772 IonicContact OE2-NE 2.79Å; E770-R772 PolarHBondContact OE2-NE 2.6Å; E770-R772 IonicContact OE2-NH2 3.08Å; E770-R772 PolarHBondContact OE2-NH2 3.16Å
773	L	93.6	Very high	91.6	Very high	78 Å²	78	50.4 Å²	50.4	41%	0.408	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.6	169.9	-173.2	61	0	0	0	109.9	V85 Y759 K762 L764	V85-L773 HydrophobicContact CG1-CB 4.1Å; Y759-L773 HydrophobicContact CD1-CD1 3.98Å; Y759-L773 HydrophobicContact CE1-CD1 4.18Å; Y759-L773 HydrophobicContact CE1-CD2 4.46Å; K762-L773 HydrophobicContact CB-CD1 3.98Å; K762-L773 HydrophobicContact CD-CD1 3.9Å; K762-L773 HydrophobicContact CD-CD2 4.45Å; L764-L773 HydrophobicContact CD2-CB 4.47Å; L764-L773 HydrophobicContact CD2-CD1 3.77Å
774	F	90.1	Very high	90.7	Very high	53 Å²	53	51.8 Å²	51.8	23%	0.232	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.6	-179.8	-135.2	-109.2	0	0	0	111.1	Y611 W763 L765 N778 F779	Y611-F774 HydrophobicContact CD1-CD1 4.18Å; Y611-F774 HydrophobicContact CD1-CG 4.36Å; Y611-F774 HydrophobicContact CE1-CB 4.41Å; Y611-F774 AromaticContact CE1-CD1 3.5Å; Y611-F774 HydrophobicContact CE1-CD1 3.5Å; Y611-F774 HydrophobicContact CE1-CD2 4.11Å; Y611-F774 AromaticContact CE1-CE1 3.59Å; Y611-F774 HydrophobicContact CE1-CE1 3.59Å; Y611-F774 HydrophobicContact CE1-CE2 4.21Å; Y611-F774 AromaticContact CE1-CG 3.76Å; Y611-F774 HydrophobicContact CE1-CG 3.76Å; Y611-F774 AromaticContact CE1-CZ 3.96Å; Y611-F774 HydrophobicContact CE1-CZ 3.96Å; Y611-F774 AromaticContact CZ-CE1 3.91Å; Y611-F774 WeakPolarHBondContact OH-CZ 3.36Å; W763-F774 HydrophobicContact CB-CB 4.25Å; W763-F774 PolarHBondContact O-N 3.26Å; W763-F774 VanDerWaalsContact O-O 3.13Å; L765-F774 HydrophobicContact CB-CD2 4.39Å; L765-F774 HydrophobicContact CD2-CE2 4.36Å; F774-N778 HydrophobicContact CD1-CB 4.1Å; F774-N778 VanDerWaalsContact CE1-C 3.49Å; F774-N778 HydrophobicContact CE1-CB 3.75Å; F774-N778 HydrophobicContact CZ-CB 4.31Å; F774-F779 HydrophobicContact CD1-CB 4.02Å
775	E	89.7	Confident	89.5	Confident	135 Å²	135	52.7 Å²	52.7	63%	0.631	26%	0.258	S	S	*	.			trans	-79.8	145.8	178	-61.1	177.3	136.6	0	0	110.7	E777 N778 F779	E775-E777 VanDerWaalsContact C-N 3.32Å; E775-E777 PolarHBondContact O-N 3.15Å; E775-N778 HydrophobicContact CB-CB 4.49Å; E775-N778 PolarHBondContact O-N 3.27Å; E775-N778 VanDerWaalsContact O-N 3.1Å; E775-N778 PolarHBondContact OE2-ND2 3.17Å; E775-F779 PolarHBondContact O-N 3.02Å
776	E	88.4	Confident	88.1	Confident	70 Å²	70	61.1 Å²	61.1	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-34.4	-173.9	-168.1	163.6	100.9	0	0	112.8	L571 R613 W763 F779 L780	L571-E776 HydrophobicContact CD1-CG 4.47Å; R613-E776 IonicContact CZ-OE2 3.9Å; R613-E776 IonicContact NE-OE2 2.76Å; R613-E776 PolarHBondContact NE-OE2 2.82Å; R613-E776 IonicContact NH2-OE1 3.62Å; R613-E776 IonicContact NH2-OE2 2.66Å; R613-E776 PolarHBondContact NH2-OE2 2.8Å; W763-E776 PolarHBondContact NE1-OE2 3.04Å; W763-E776 VanDerWaalsContact NE1-OE2 3.12Å; E776-F779 PolarHBondContact O-N 2.66Å; E776-L780 HydrophobicContact CG-CD1 4.27Å; E776-L780 HydrophobicContact CG-CG 4.48Å; E776-L780 WeakPolarHBondContact O-CB 3.34Å; E776-L780 VanDerWaalsContact O-CG 3.23Å; E776-L780 WeakPolarHBondContact O-CG 3.12Å; E776-L780 PolarHBondContact O-N 3.35Å
777	E	87.8	Confident	86.7	Confident	127 Å²	127	65.9 Å²	65.9	59%	0.593	33%	0.328	S	S	*	.	H	α-helix	trans	-62.7	-43.9	173.5	-169	-168.9	135.2	0	0	111.8	E775 L780 R781	E775-E777 VanDerWaalsContact C-N 3.32Å; E775-E777 PolarHBondContact O-N 3.15Å; E777-L780 PolarHBondContact O-N 3.37Å; E777-R781 WeakPolarHBondContact O-CB 3.29Å; E777-R781 PolarHBondContact O-N 2.88Å; E777-R781 IonicContact OE1-CZ 3.96Å; E777-R781 IonicContact OE1-NH1 2.66Å; E777-R781 IonicContact OE1-NH2 3.69Å; E777-R781 PolarHBondContact OE1-NH2 3.46Å
778	N	88.1	Confident	85.6	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-69.2	-37.1	178.5	-72.6	-49.7	0	0	0	111.3	F774 E775 R781 A782	F774-N778 HydrophobicContact CD1-CB 4.1Å; F774-N778 VanDerWaalsContact CE1-C 3.49Å; F774-N778 HydrophobicContact CE1-CB 3.75Å; F774-N778 HydrophobicContact CZ-CB 4.31Å; E775-N778 HydrophobicContact CB-CB 4.49Å; E775-N778 PolarHBondContact O-N 3.27Å; E775-N778 VanDerWaalsContact O-N 3.1Å; E775-N778 PolarHBondContact OE2-ND2 3.17Å; N778-R781 PolarHBondContact O-N 3.43Å; N778-R781 PolarHBondContact OD1-NH1 3.5Å; N778-A782 WeakPolarHBondContact O-CB 3.2Å; N778-A782 PolarHBondContact O-N 3.34Å
779	F	88.6	Confident	84.9	Confident	1 Å²	1	69 Å²	69	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-47.2	171.7	165.4	-100.8	0	0	0	112	L571 L592 V595 Y611 W763 F774 E775 E776 R781 A782 C783	L571-F779 HydrophobicContact CD2-CD1 4.48Å; L571-F779 HydrophobicContact CD2-CE1 3.83Å; L592-F779 HydrophobicContact CD2-CE1 4.22Å; L592-F779 HydrophobicContact CD2-CZ 3.88Å; V595-F779 HydrophobicContact CB-CE2 4.35Å; V595-F779 HydrophobicContact CG2-CE2 4.04Å; V595-F779 HydrophobicContact CG2-CZ 3.87Å; Y611-F779 AromaticContact CD1-CD2 3.98Å; Y611-F779 HydrophobicContact CD1-CD2 3.98Å; Y611-F779 HydrophobicContact CD2-CD2 4.06Å; Y611-F779 HydrophobicContact CD2-CE2 4.16Å; Y611-F779 AromaticContact CG-CD2 3.66Å; Y611-F779 HydrophobicContact CG-CD2 3.66Å; Y611-F779 AromaticContact CG-CE2 3.91Å; Y611-F779 HydrophobicContact CG-CE2 3.91Å; W763-F779 AromaticContact CD2-CD1 3.91Å; W763-F779 HydrophobicContact CD2-CD1 3.91Å; W763-F779 AromaticContact CD2-CD2 3.94Å; W763-F779 HydrophobicContact CD2-CD2 3.94Å; W763-F779 HydrophobicContact CD2-CE1 4.07Å; W763-F779 HydrophobicContact CD2-CE2 4.09Å; W763-F779 AromaticContact CD2-CG 3.84Å; W763-F779 HydrophobicContact CD2-CG 3.84Å; W763-F779 HydrophobicContact CD2-CZ 4.15Å; W763-F779 AromaticContact CE2-CD1 3.6Å; W763-F779 AromaticContact CE2-CE1 3.59Å; W763-F779 HydrophobicContact CE3-CD1 4.43Å; W763-F779 AromaticContact CE3-CD2 3.84Å; W763-F779 HydrophobicContact CE3-CD2 3.84Å; W763-F779 HydrophobicContact CE3-CE1 4.28Å; W763-F779 AromaticContact CE3-CE2 3.65Å; W763-F779 HydrophobicContact CE3-CE2 3.65Å; W763-F779 HydrophobicContact CE3-CG 4.23Å; W763-F779 AromaticContact CE3-CZ 3.89Å; W763-F779 HydrophobicContact CE3-CZ 3.89Å; W763-F779 HydrophobicContact CG-CB 4.23Å; W763-F779 HydrophobicContact CG-CD1 4.31Å; W763-F779 HydrophobicContact CG-CD2 4.38Å; W763-F779 HydrophobicContact CG-CG 4.03Å; W763-F779 HydrophobicContact CH2-CD1 4.43Å; W763-F779 AromaticContact CH2-CE1 3.63Å; W763-F779 HydrophobicContact CH2-CE1 3.63Å; W763-F779 AromaticContact CH2-CE2 3.98Å; W763-F779 HydrophobicContact CH2-CE2 3.98Å; W763-F779 AromaticContact CH2-CZ 3.35Å; W763-F779 HydrophobicContact CH2-CZ 3.35Å; W763-F779 AromaticContact CZ2-CD1 3.89Å; W763-F779 HydrophobicContact CZ2-CD1 3.89Å; W763-F779 AromaticContact CZ2-CE1 3.36Å; W763-F779 HydrophobicContact CZ2-CE1 3.36Å; W763-F779 HydrophobicContact CZ2-CE2 4.38Å; W763-F779 AromaticContact CZ2-CZ 3.64Å; W763-F779 HydrophobicContact CZ2-CZ 3.64Å; W763-F779 HydrophobicContact CZ3-CD2 4.26Å; W763-F779 HydrophobicContact CZ3-CE1 4.08Å; W763-F779 AromaticContact CZ3-CE2 3.59Å; W763-F779 HydrophobicContact CZ3-CE2 3.59Å; W763-F779 AromaticContact CZ3-CZ 3.48Å; W763-F779 HydrophobicContact CZ3-CZ 3.48Å; W763-F779 VanDerWaalsContact CZ3-CZ 3.48Å; W763-F779 AromaticContact NE1-CD1 3.82Å; F774-F779 HydrophobicContact CD1-CB 4.02Å; E775-F779 PolarHBondContact O-N 3.02Å; E776-F779 PolarHBondContact O-N 2.66Å; F779-R781 VanDerWaalsContact C-N 3.34Å; F779-R781 PolarHBondContact O-N 3.39Å; F779-A782 PolarHBondContact O-N 3.3Å; F779-A782 VanDerWaalsContact O-N 3.17Å; F779-C783 WeakPolarHBondContact CE2-SG 3.05Å; F779-C783 WeakPolarHBondContact CZ-SG 3.42Å; F779-C783 PolarHBondContact O-N 2.87Å; F779-C783 PolarHBondContact O-SG 2.57Å; F779-C783 VanDerWaalsContact O-SG 3.41Å
780	L	87.1	Confident	84.4	Confident	63 Å²	63	71 Å²	71	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-42.2	177.9	-73	169.5	0	0	0	111.4	L571 E776 E777 A782 C783 C784	L571-L780 HydrophobicContact CD1-CD2 4.34Å; L571-L780 HydrophobicContact CD2-CD2 3.95Å; L571-L780 HydrophobicContact CG-CD2 3.99Å; E776-L780 HydrophobicContact CG-CD1 4.27Å; E776-L780 HydrophobicContact CG-CG 4.48Å; E776-L780 WeakPolarHBondContact O-CB 3.34Å; E776-L780 VanDerWaalsContact O-CG 3.23Å; E776-L780 WeakPolarHBondContact O-CG 3.12Å; E776-L780 PolarHBondContact O-N 3.35Å; E777-L780 PolarHBondContact O-N 3.37Å; L780-A782 VanDerWaalsContact C-N 3.33Å; L780-A782 PolarHBondContact O-N 3.46Å; L780-C783 PolarHBondContact O-N 3.34Å; L780-C784 WeakPolarHBondContact O-CB 3.42Å; L780-C784 PolarHBondContact O-N 3.4Å
781	R	86.9	Confident	84.3	Confident	125 Å²	125	67.6 Å²	67.6	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-33.4	174.5	-168.5	-177	-69.6	137.8	1.8	112.7	E777 N778 F779 C784 P785	E777-R781 WeakPolarHBondContact O-CB 3.29Å; E777-R781 PolarHBondContact O-N 2.88Å; E777-R781 IonicContact OE1-CZ 3.96Å; E777-R781 IonicContact OE1-NH1 2.66Å; E777-R781 IonicContact OE1-NH2 3.69Å; E777-R781 PolarHBondContact OE1-NH2 3.46Å; N778-R781 PolarHBondContact O-N 3.43Å; N778-R781 PolarHBondContact OD1-NH1 3.5Å; F779-R781 VanDerWaalsContact C-N 3.34Å; F779-R781 PolarHBondContact O-N 3.39Å; R781-C784 CarbonylContact O-C 3.51Å; R781-P785 WeakPolarHBondContact O-CA 3.44Å
782	A	85.1	Confident	84.2	Confident	26 Å²	26	67 Å²	67	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-73	-35.2	174.7	0	0	0	0	0	112.8	M597 Y611 N778 F779 L780	M597-A782 WeakPolarHBondContact CE-O 3.37Å; Y611-A782 HydrophobicContact CE2-CB 4.17Å; N778-A782 WeakPolarHBondContact O-CB 3.2Å; N778-A782 PolarHBondContact O-N 3.34Å; F779-A782 PolarHBondContact O-N 3.3Å; F779-A782 VanDerWaalsContact O-N 3.17Å; L780-A782 VanDerWaalsContact C-N 3.33Å; L780-A782 PolarHBondContact O-N 3.46Å
783	C	82.2	Confident	84.3	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-78.3	-33.6	176.9	-67	0	0	0	0	113.1	F779 L780 P785 P793	F779-C783 WeakPolarHBondContact CE2-SG 3.05Å; F779-C783 WeakPolarHBondContact CZ-SG 3.42Å; F779-C783 PolarHBondContact O-N 2.87Å; F779-C783 PolarHBondContact O-SG 2.57Å; F779-C783 VanDerWaalsContact O-SG 3.41Å; L780-C783 PolarHBondContact O-N 3.34Å; C783-P785 VanDerWaalsContact C-CD 3.46Å; C783-P785 WeakPolarHBondContact O-CD 3.47Å; C783-P793 HydrophobicContact CB-CG 4.08Å; C783-P793 WeakPolarHBondContact O-CG 3.31Å
784	C	76.4	Confident	84.5	Confident	29 Å²	29	58.9 Å²	58.9	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	-124.5	66.6	-178.2	-52	0	0	0	0	110.3	T569 L780 R781	T569-C784 PolarHBondContact N-SG 3.35Å; L780-C784 WeakPolarHBondContact O-CB 3.42Å; L780-C784 PolarHBondContact O-N 3.4Å; R781-C784 CarbonylContact O-C 3.51Å
785	P	72.2	Confident	84.8	Confident	19 Å²	19	56.4 Å²	56.4	12%	0.123	30%	0.303	C	S	.	.			trans	-67.2	139.2	-179.1	29.7	-35.6	0	0	0	110.6	P566 R781 C783 T787	P566-P785 VanDerWaalsContact CB-O 3.31Å; P566-P785 WeakPolarHBondContact CB-O 3.14Å; P566-P785 WeakPolarHBondContact CG-O 3.13Å; R781-P785 WeakPolarHBondContact O-CA 3.44Å; C783-P785 VanDerWaalsContact C-CD 3.46Å; C783-P785 WeakPolarHBondContact O-CD 3.47Å; P785-T787 WeakPolarHBondContact CB-O 3.41Å; P785-T787 PolarHBondContact O-N 3.3Å; P785-T787 VanDerWaalsContact O-N 3.14Å
786	E	66.9	Low	85.3	Confident	185 Å²	185	50 Å²	50	86%	0.864	27%	0.273	S	S	*	.	S	Bend	trans	-66.3	-12.9	179.4	-61.4	178.6	177.4	0	0	113.2
787	T	68.4	Low	85.7	Confident	106 Å²	106	46.7 Å²	46.7	65%	0.65	26%	0.258	S	S	*	.	S	Bend	trans	-135.8	159.3	179.7	58.3	0	0	0	0	110.7	P785 S789	P785-T787 WeakPolarHBondContact CB-O 3.41Å; P785-T787 PolarHBondContact O-N 3.3Å; P785-T787 VanDerWaalsContact O-N 3.14Å; T787-S789 PolarHBondContact O-N 2.82Å; T787-S789 VanDerWaalsContact O-N 3.16Å
788	C	73.5	Confident	86.2	Confident	89 Å²	89	40.6 Å²	40.6	60%	0.601	23%	0.23	S	C	*	.			trans	-59.9	118.6	176.3	-66	0	0	0	0	111.1	N564	N564-C788 HydrophobicContact CB-CB 4.27Å
789	S	81	Confident	86.5	Confident	37 Å²	37	39.6 Å²	39.6	26%	0.259	22%	0.222	S	C	.	.			trans	-107.9	146.5	-177.6	170.7	0	0	0	0	111.2	N564 T787 S791 T792	N564-S789 WeakPolarHBondContact CB-O 3.49Å; N564-S789 PolarHBondContact OD1-O 2.95Å; N564-S789 VanDerWaalsContact OD1-O 3.14Å; T787-S789 PolarHBondContact O-N 2.82Å; T787-S789 VanDerWaalsContact O-N 3.16Å; S789-S791 WeakPolarHBondContact CB-O 3.39Å; S789-S791 PolarHBondContact O-N 2.72Å; S789-S791 PolarHBondContact OG-N 3.17Å; S789-S791 PolarHBondContact OG-O 3.39Å; S789-T792 WeakPolarHBondContact O-CG2 3.33Å
790	S	84.6	Confident	86.7	Confident	83 Å²	83	43.9 Å²	43.9	58%	0.58	24%	0.239	S	C	*	.	S	Bend	trans	-68.9	-21.2	170.4	57.6	0	0	0	0	112.6	K562 S599 G600	K562-S790 PolarHBondContact NZ-O 2.88Å; S599-S790 WeakPolarHBondContact CA-O 3.42Å; G600-S790 PolarHBondContact N-O 2.99Å; G600-S790 VanDerWaalsContact N-O 3.09Å
791	S	91.7	Very high	86.8	Confident	26 Å²	26	43.7 Å²	43.7	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.4	170.6	-165.9	0	0	0	0	111.1	H598 S599 S789	H598-S791 WeakPolarHBondContact O-CA 3.5Å; S599-S791 VanDerWaalsContact OG-CB 3.27Å; S599-S791 WeakPolarHBondContact OG-CB 3.04Å; S599-S791 PolarHBondContact OG-OG 3.18Å; S789-S791 WeakPolarHBondContact CB-O 3.39Å; S789-S791 PolarHBondContact O-N 2.72Å; S789-S791 PolarHBondContact OG-N 3.17Å; S789-S791 PolarHBondContact OG-O 3.39Å
792	T	93.3	Very high	86.2	Confident	2 Å²	2	43 Å²	43	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.9	-174.8	55	0	0	0	0	111.1	R546 K562 M597 H598 S789 Y794	R546-T792 VanDerWaalsContact CD-OG1 3.32Å; R546-T792 WeakPolarHBondContact CD-OG1 3.3Å; K562-T792 WeakPolarHBondContact CE-OG1 3.33Å; K562-T792 PolarHBondContact NZ-OG1 3.21Å; M597-T792 WeakPolarHBondContact CA-O 3.37Å; H598-T792 PolarHBondContact N-O 3.39Å; H598-T792 PolarHBondContact O-N 3.48Å; H598-T792 VanDerWaalsContact O-N 3.13Å; S789-T792 WeakPolarHBondContact O-CG2 3.33Å; T792-Y794 PolarHBondContact O-N 2.68Å
793	P	95.5	Very high	85.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	138	168.4	-24	34.1	0	0	0	111.2	L544 R546 V595 M597 C783 L796	L544-P793 HydrophobicContact CD1-CB 4.08Å; R546-P793 WeakPolarHBondContact CD-O 3.33Å; R546-P793 PolarHBondContact NE-O 3.32Å; V595-P793 HydrophobicContact CG1-CB 3.86Å; V595-P793 HydrophobicContact CG1-CG 4.32Å; M597-P793 HydrophobicContact CE-CG 4.36Å; M597-P793 HydrophobicContact SD-CB 4.18Å; M597-P793 HydrophobicContact SD-CG 3.8Å; C783-P793 HydrophobicContact CB-CG 4.08Å; C783-P793 WeakPolarHBondContact O-CG 3.31Å; P793-L796 HydrophobicContact CB-CD2 3.89Å
794	Y	96.3	Very high	83.7	Confident	2 Å²	2	57 Å²	57	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-49.7	-176.8	-176.1	-120	0	0	0	112.1	D212 A213 H543 L544 F547 V596 H598 Y608 T792	D212-Y794 WeakPolarHBondContact OD1-CE1 2.96Å; D212-Y794 PolarHBondContact OD1-OH 3.3Å; D212-Y794 PolarHBondContact OD2-OH 2.84Å; A213-Y794 HydrophobicContact CB-CD1 4.5Å; A213-Y794 HydrophobicContact CB-CE1 4.43Å; H543-Y794 AromaticContact CD2-CE2 3.52Å; H543-Y794 AromaticContact CD2-CZ 3.7Å; H543-Y794 AromaticContact NE2-CE2 3.32Å; H543-Y794 VanDerWaalsContact NE2-CE2 3.32Å; H543-Y794 WeakPolarHBondContact NE2-CE2 3.35Å; H543-Y794 AromaticContact NE2-CZ 3.48Å; H543-Y794 PolarHBondContact NE2-OH 3.1Å; L544-Y794 PolarHBondContact N-O 3.23Å; F547-Y794 AromaticContact CD2-CE2 3.91Å; F547-Y794 HydrophobicContact CD2-CE2 3.91Å; F547-Y794 HydrophobicContact CE2-CD2 4.22Å; F547-Y794 AromaticContact CE2-CE2 3.79Å; F547-Y794 HydrophobicContact CE2-CE2 3.79Å; V596-Y794 PolarHBondContact O-N 2.87Å; H598-Y794 HydrophobicContact CB-CG 4.36Å; Y608-Y794 AromaticContact CE1-CD1 3.76Å; Y608-Y794 HydrophobicContact CE1-CD1 3.76Å; Y608-Y794 HydrophobicContact CE1-CE1 4.17Å; T792-Y794 PolarHBondContact O-N 2.68Å
795	L	98.3	Very high	84.1	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.3	169.1	-52.5	176.6	0	0	0	109.7	I102 A213 Q214 L217 I542 H543 V595 V596 F797	I102-L795 HydrophobicContact CD1-CD1 3.71Å; A213-L795 HydrophobicContact CB-CD1 4.28Å; Q214-L795 HydrophobicContact CB-CD2 4.1Å; Q214-L795 HydrophobicContact CG-CD2 4.25Å; L217-L795 HydrophobicContact CD2-CD1 4.48Å; I542-L795 WeakPolarHBondContact O-CA 3.33Å; H543-L795 HydrophobicContact CB-CD2 3.68Å; V595-L795 WeakPolarHBondContact CA-O 3.38Å; V596-L795 HydrophobicContact CB-CB 4.14Å; V596-L795 PolarHBondContact N-O 3.48Å; V596-L795 PolarHBondContact O-N 3.26Å; L795-F797 HydrophobicContact CB-CD2 4.46Å; L795-F797 HydrophobicContact CB-CE2 3.57Å; L795-F797 HydrophobicContact CB-CZ 3.92Å; L795-F797 HydrophobicContact CD1-CE2 4.32Å; L795-F797 HydrophobicContact CD1-CZ 3.99Å
796	L	98.3	Very high	84.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.5	175.8	-49.6	175.7	0	0	0	109.3	L497 T541 I542 L544 T569 L592 V595 P793 Y798	L497-L796 HydrophobicContact CD1-CD1 3.77Å; L497-L796 HydrophobicContact CD2-CD1 3.7Å; L497-L796 HydrophobicContact CG-CD1 4.38Å; T541-L796 WeakPolarHBondContact CA-O 3.37Å; I542-L796 HydrophobicContact CB-CB 4.28Å; I542-L796 PolarHBondContact N-O 3.01Å; I542-L796 PolarHBondContact O-N 3.36Å; L544-L796 HydrophobicContact CD1-CD1 4.35Å; L544-L796 HydrophobicContact CD2-CD1 4.1Å; L544-L796 HydrophobicContact CG-CD1 4.37Å; L544-L796 HydrophobicContact CG-CG 4.46Å; T569-L796 HydrophobicContact CG2-CD1 3.75Å; T569-L796 HydrophobicContact CG2-CD2 3.92Å; T569-L796 HydrophobicContact CG2-CG 4.46Å; L592-L796 HydrophobicContact CD1-CB 4.15Å; V595-L796 HydrophobicContact CB-CD2 4.48Å; V595-L796 HydrophobicContact CG1-CD2 3.99Å; V595-L796 HydrophobicContact CG2-CD2 3.9Å; P793-L796 HydrophobicContact CB-CD2 3.89Å; L796-Y798 HydrophobicContact CB-CD2 4.14Å; L796-Y798 HydrophobicContact CB-CE2 3.8Å; L796-Y798 HydrophobicContact CD1-CE2 4.13Å
797	F	98.4	Very high	85.7	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.1	-179.1	-61	-92.1	0	0	0	110.5	I102 V105 L217 T541 F593 A594 V596 L795	I102-F797 HydrophobicContact CD1-CZ 4.45Å; V105-F797 HydrophobicContact CB-CE2 4.4Å; V105-F797 HydrophobicContact CG1-CB 4.41Å; V105-F797 HydrophobicContact CG1-CD1 3.72Å; V105-F797 HydrophobicContact CG1-CD2 3.74Å; V105-F797 HydrophobicContact CG1-CE1 3.8Å; V105-F797 HydrophobicContact CG1-CE2 3.83Å; V105-F797 HydrophobicContact CG1-CG 3.68Å; V105-F797 HydrophobicContact CG1-CZ 3.85Å; V105-F797 HydrophobicContact CG2-CD2 4.09Å; V105-F797 HydrophobicContact CG2-CE2 3.87Å; V105-F797 HydrophobicContact CG2-CZ 4.41Å; L217-F797 HydrophobicContact CD2-CE1 3.75Å; L217-F797 HydrophobicContact CD2-CZ 3.89Å; T541-F797 HydrophobicContact CG2-CD1 4.13Å; T541-F797 HydrophobicContact CG2-CE1 3.61Å; T541-F797 HydrophobicContact CG2-CZ 4.04Å; F593-F797 HydrophobicContact CD1-CB 4.28Å; F593-F797 VanDerWaalsContact CD1-O 3.22Å; F593-F797 WeakPolarHBondContact CD1-O 3.23Å; F593-F797 HydrophobicContact CE1-CB 3.68Å; F593-F797 HydrophobicContact CZ-CB 3.86Å; F593-F797 PolarHBondContact N-O 3.04Å; A594-F797 HydrophobicContact CB-CB 4.1Å; A594-F797 HydrophobicContact CB-CD2 4.23Å; A594-F797 HydrophobicContact CB-CG 4.49Å; A594-F797 PolarHBondContact N-O 3.13Å; A594-F797 PolarHBondContact O-N 2.93Å; V596-F797 HydrophobicContact CG2-CE2 3.89Å; L795-F797 HydrophobicContact CB-CD2 4.46Å; L795-F797 HydrophobicContact CB-CE2 3.57Å; L795-F797 HydrophobicContact CB-CZ 3.92Å; L795-F797 HydrophobicContact CD1-CE2 4.32Å; L795-F797 HydrophobicContact CD1-CZ 3.99Å
798	Y	97.3	Very high	86.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.6	-173.5	-83.1	-83.7	0	0	0	109.2	L497 V539 I540 I542 P570 L573 Y590 E591 L592 L796	L497-Y798 HydrophobicContact CD2-CE2 3.73Å; L497-Y798 VanDerWaalsContact CD2-OH 3.26Å; L497-Y798 WeakPolarHBondContact CD2-OH 3.29Å; V539-Y798 CarbonylContact C-O 3.6Å; V539-Y798 VanDerWaalsContact CA-O 3.3Å; V539-Y798 WeakPolarHBondContact CA-O 3.29Å; I540-Y798 PolarHBondContact N-O 3.05Å; I540-Y798 PolarHBondContact O-N 3.22Å; I540-Y798 VanDerWaalsContact O-N 3.07Å; I542-Y798 HydrophobicContact CD1-CD2 3.98Å; I542-Y798 HydrophobicContact CD1-CE2 4.09Å; I542-Y798 HydrophobicContact CG1-CD2 4.48Å; P570-Y798 WeakPolarHBondContact O-CE1 3.43Å; P570-Y798 PolarHBondContact O-OH 3.23Å; L573-Y798 HydrophobicContact CB-CD1 3.81Å; L573-Y798 HydrophobicContact CB-CE1 3.6Å; L573-Y798 HydrophobicContact CD2-CD1 4.33Å; L573-Y798 HydrophobicContact CD2-CD2 4.1Å; L573-Y798 HydrophobicContact CD2-CE1 4.33Å; L573-Y798 HydrophobicContact CD2-CE2 4.08Å; L573-Y798 HydrophobicContact CD2-CG 4.23Å; Y590-Y798 WeakPolarHBondContact CD1-O 3.28Å; E591-Y798 CarbonylContact O-C 3.56Å; E591-Y798 WeakPolarHBondContact O-CA 3.38Å; L592-Y798 HydrophobicContact CB-CD1 3.95Å; L592-Y798 HydrophobicContact CB-CE1 3.6Å; L592-Y798 HydrophobicContact CD1-CD1 4.28Å; L592-Y798 HydrophobicContact CD1-CD2 3.97Å; L592-Y798 HydrophobicContact CD1-CE1 3.98Å; L592-Y798 HydrophobicContact CD1-CE2 3.66Å; L592-Y798 HydrophobicContact CD1-CG 4.26Å; L592-Y798 HydrophobicContact CG-CE1 4.34Å; L796-Y798 HydrophobicContact CB-CD2 4.14Å; L796-Y798 HydrophobicContact CB-CE2 3.8Å; L796-Y798 HydrophobicContact CD1-CE2 4.13Å
799	K	95.1	Very high	87.6	Confident	33 Å²	33	48 Å²	48	14%	0.143	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.3	175.8	59.8	176.9	178.1	170.2	0	110.1	P110 V539 Y590 E591 F593 S615 I801	P110-K799 HydrophobicContact CG-CD 4.17Å; V539-K799 HydrophobicContact CG2-CB 4.29Å; Y590-K799 CarbonylContact C-O 3.46Å; Y590-K799 VanDerWaalsContact CA-O 3.23Å; Y590-K799 WeakPolarHBondContact CA-O 3.25Å; Y590-K799 VanDerWaalsContact CD1-C 3.49Å; E591-K799 HydrophobicContact CB-CG 4.39Å; E591-K799 PolarHBondContact N-O 2.91Å; E591-K799 WeakPolarHBondContact O-CG 3.41Å; E591-K799 PolarHBondContact O-N 3.46Å; E591-K799 WeakPolarHBondContact OE2-CE 3.41Å; E591-K799 IonicContact OE2-NZ 3.84Å; E591-K799 PolarHBondContact OE2-NZ 2.91Å; F593-K799 HydrophobicContact CB-CD 4.01Å; F593-K799 HydrophobicContact CB-CG 4.19Å; F593-K799 HydrophobicContact CD1-CB 3.7Å; F593-K799 HydrophobicContact CD1-CD 4.27Å; F593-K799 HydrophobicContact CD1-CG 3.84Å; F593-K799 HydrophobicContact CE1-CB 4.06Å; F593-K799 HydrophobicContact CG-CD 4.27Å; F593-K799 HydrophobicContact CG-CG 4.29Å; S615-K799 PolarHBondContact OG-NZ 3.33Å; K799-I801 PolarHBondContact O-N 3.03Å
800	R	92.7	Very high	88	Confident	92 Å²	92	48.7 Å²	48.7	35%	0.347	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	130.5	176.1	-172.9	174.2	68.1	-146.1	0.8	109.3	E538 G587 Y590	E538-R800 WeakPolarHBondContact O-CB 3.29Å; E538-R800 PolarHBondContact O-N 3.21Å; E538-R800 IonicContact OE1-CZ 2.76Å; E538-R800 IonicContact OE1-NH1 3.88Å; E538-R800 IonicContact OE1-NH2 3.17Å; E538-R800 PolarHBondContact OE1-NH2 2.86Å; G587-R800 VanDerWaalsContact O-CD 3.31Å; G587-R800 WeakPolarHBondContact O-CD 3.41Å; Y590-R800 HydrophobicContact CD1-CB 4.06Å; Y590-R800 HydrophobicContact CE1-CB 3.67Å; Y590-R800 HydrophobicContact CE1-CG 4.34Å
801	I	89.4	Confident	88.3	Confident	59 Å²	59	46.3 Å²	46.3	30%	0.303	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-71.9	129.2	174.7	-57.2	179.5	0	0	0	107.7	T572 Q589 E591 K799	T572-I801 HydrophobicContact CG2-CD1 4.21Å; Q589-I801 HydrophobicContact CB-CD1 4.13Å; Q589-I801 PolarHBondContact O-N 3.23Å; E591-I801 HydrophobicContact CB-CD1 4.27Å; E591-I801 HydrophobicContact CB-CG1 4.04Å; K799-I801 PolarHBondContact O-N 3.03Å
802	P	74.7	Confident	88	Confident	110 Å²	110	47.8 Å²	47.8	71%	0.714	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-61.6	146.3	174.2	-22.6	34.1	0	0	0	112
803	E	65	Low	87.6	Confident	120 Å²	120	51.7 Å²	51.7	56%	0.561	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-68	135.4	168	-65.4	-178.3	-179.6	0	0	109.5	T586 G587	T586-E803 WeakPolarHBondContact CB-OE1 3.49Å; T586-E803 PolarHBondContact OG1-OE1 2.7Å; G587-E803 PolarHBondContact N-OE1 2.69Å
804	P	49.8	Very low	86.8	Confident	201 Å²	201	56.3 Å²	56.3	100%	1.305	31%	0.308	S	S	*	.			trans	-83.2	0	-172.4	34.1	-37.2	0	0	0	115

Retrieved 804 of 804 residues in 220.3 ms (Link to these results)

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