A0A087XQ55_POEFO Loading...

MET transcriptional regulator MACC1

AlphaFold DB , UniProt , Accession A0A087XQ55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 872 aa.

						>A0A087XQ55_POEFO|A0A087XQ55
MSGDRSLSANKTSGVGDDNMAAERNMSFRRVGSMMRSRSEGTLIDLSDDTPSSDNLNGGFVPGRTQTSDWQFSRPEKSVSSQTKNPFWKNLSGSNPFLDDIVHIGTCEPTFNGSEVKQGETAHPDDGNDDGTSISSDEGSIGNFSANRLKTSNQSGRWRSASDILSDLEKKGPKFRNDSRPPGPVLSPDFEWLKNDREAYKMAWLSHRQLTRSCLDLNVMSQSPGWAQTQATHFQVISKIDHSGGSVQLPESKISIHVPQGHVLPGEVQEVTLKAMLNPPPGLNNNSITTMSPLLEVLLSNINTKECLSLEMKLSGEVKDNPESQVMTTVFGMVSNKRHGPYTKMNDCYVDKNVIRMKLQDLKTHFFVIAVAEASALQPPTTSVWDYLSRQITVAVYGPRFIHPSFKVVIVVCCHEDVPPKLPFSDVCKGNKNLPPLVLQLWGKHSFKPDKLKDFTVGVDIKGSNFGINSEDKVKHVRQSQLKIGTVLHLPISISCPRKAEMTPFQLNIQVVESHSSSTTADFQVSSPPAPPIRSEKRQPKNVEIKTDIATTFSIPEESDSDLPKFKDTPLTLQWYGVALKTVLRQPRVEYLLEYFKGETVALLSRETVRSVGNLKVKEWYIGSLRGRIGLVHCRNVKLIAVEQVMDFSDAQVTTAVLLNNMTLPFRKLTYMYSAIQTLVTQHITSWRGFADALDYKNEPLQTIKRRYAETDADKMDCVLEMLKEDCHSERSRKKFLHELMVGLLKMNNVNLVAQLIQNIVILSTAVELGIRWRELAEKMGKLTSAQIAAYEAPHRGKNDEVSQQSMWKPAYDFLYAWSLRYGDSHKDMIQELHLALDKMKNPITRQWRHLTGVLITVNCLDIFQEAAFPEP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	31.7	Very low	237 Å²	237	147.9 Å²	147.9	100%	1.167	84%	0.837	S	S	*	*				0	115.7	0	-59.8	161.5	89.4	0	0	106.1
2	S	32.9	Very low	31.6	Very low	123 Å²	123	147.4 Å²	147.4	86%	0.86	84%	0.84	S	S	*	*			cis	-158.7	160	-4	-61.1	0	0	0	0	106.9
3	G	30.7	Very low	31.5	Very low	72 Å²	72	145.6 Å²	145.6	74%	0.742	84%	0.842	S	S	*	*			cis	158.6	134.1	-0.6	0	0	0	0	0	109
4	D	38.3	Very low	31.2	Very low	163 Å²	163	140.1 Å²	140.1	87%	0.872	83%	0.832	S	S	*	*			trans	-69.8	153.6	-167.2	-59.2	-82.4	0	0	0	116.6
5	R	33.1	Very low	31.2	Very low	235 Å²	235	141.2 Å²	141.2	89%	0.887	84%	0.84	S	S	*	*			trans	-142.5	129	143.7	-62.4	-170.5	179.5	-176	-1	107.6
6	S	31.7	Very low	31	Very low	98 Å²	98	136.4 Å²	136.4	69%	0.685	83%	0.829	S	S	*	*			cis	72	141.8	37.5	94.2	0	0	0	0	113
7	L	31.4	Very low	30.9	Very low	148 Å²	148	137.6 Å²	137.6	78%	0.775	83%	0.83	S	S	*	*			cis	-164.8	151.3	8.4	-136.7	163.5	0	0	0	111.2
8	S	28.2	Very low	30.9	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	82%	0.824	S	S	*	*			trans	68.6	166.9	159.6	78.5	0	0	0	0	118.3
9	A	29.9	Very low	30.7	Very low	97 Å²	97	137.1 Å²	137.1	80%	0.802	82%	0.817	S	S	*	*			cis	-147.1	179.9	10.5	0	0	0	0	0	115.5
10	N	28.9	Very low	30.5	Very low	152 Å²	152	138.4 Å²	138.4	81%	0.813	82%	0.816	S	S	*	*			trans	-74.8	148.5	-161.8	-77.7	-43.8	0	0	0	120.2
11	K	30.3	Very low	30.4	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.826	82%	0.815	S	S	*	*			trans	15.3	137.5	131.5	-67	179	170.9	-179.9	0	121.3
12	T	30.4	Very low	30.2	Very low	142 Å²	142	129.2 Å²	129.2	87%	0.871	79%	0.794	S	S	*	*			trans	-114.7	-159.6	138.6	48	0	0	0	0	110.8
13	S	30.6	Very low	29.9	Very low	124 Å²	124	131.3 Å²	131.3	87%	0.867	79%	0.79	S	S	*	*			trans	-159.7	155.5	-156	53.3	0	0	0	0	117
14	G	28	Very low	29.7	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	80%	0.797	S	S	*	*			trans	128.8	116.1	174.7	0	0	0	0	0	110
15	V	30.4	Very low	29.1	Very low	157 Å²	157	138.3 Å²	138.3	95%	0.952	79%	0.793	S	S	*	*			cis	70.7	123	45.5	-173	0	0	0	0	111.8
16	G	27.8	Very low	28.8	Very low	64 Å²	64	135.7 Å²	135.7	66%	0.66	79%	0.793	S	S	*	*			cis	-166.7	-173.3	1.3	0	0	0	0	0	113.4
17	D	29.6	Very low	28.5	Very low	158 Å²	158	135.2 Å²	135.2	85%	0.845	79%	0.79	S	S	*	*			trans	-72.3	162	-174.2	-49	-91.2	0	0	0	114.6
18	D	30.8	Very low	28.1	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	79%	0.789	S	S	*	*				-177.2	143.6	102.5	-121.7	-12.8	0	0	0	115.8
19	N	26.9	Very low	28.1	Very low	129 Å²	129	140.4 Å²	140.4	69%	0.69	79%	0.787	S	S	*	*			trans	51.8	161.8	144.5	-73.3	-45.9	0	0	0	123
20	M	27.7	Very low	27.9	Very low	163 Å²	163	145.8 Å²	145.8	80%	0.803	79%	0.786	S	S	*	*			cis	-177.3	153.9	-40.7	-115.2	-73.2	-164	0	0	108.2
21	A	28.6	Very low	27.8	Very low	96 Å²	96	145.3 Å²	145.3	79%	0.793	79%	0.789	S	S	*	*			trans	62.8	156.7	165.1	0	0	0	0	0	118.3
22	A	28.4	Very low	27.5	Very low	87 Å²	87	139.4 Å²	139.4	72%	0.719	78%	0.781	S	S	*	*			cis	-161.3	161.2	-20.4	0	0	0	0	0	111.9
23	E	25.3	Very low	27.2	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	78%	0.776	S	S	*	*			trans	27.1	131.9	154.4	-58.8	-172.8	153.9	0	0	122.9
24	R	27.4	Very low	26.9	Very low	236 Å²	236	140.6 Å²	140.6	89%	0.891	78%	0.778	S	S	*	*				-171.3	171.6	104.1	-100.4	166.2	-173.3	-170.4	1.2	114.3
25	N	26.1	Very low	26.7	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	78%	0.784	S	S	*	*			trans	-103.5	171.3	-160	-70.8	-54.9	0	0	0	115.8
26	M	25.3	Very low	26.4	Very low	180 Å²	180	150 Å²	150	89%	0.887	78%	0.784	S	S	*	*			trans	80.9	152.3	158.1	-61.7	-160.8	-76	0	0	119.2
27	S	25.9	Very low	26.2	Very low	89 Å²	89	151 Å²	151	62%	0.622	78%	0.781	S	S	*	*			cis	-167.6	162.8	-28.9	66.8	0	0	0	0	113.2
28	F	24.4	Very low	26.1	Very low	174 Å²	174	154.7 Å²	154.7	76%	0.763	78%	0.783	S	S	*	*			trans	45.5	113.8	150.9	-71.2	-59.3	0	0	0	124.6
29	R	26.5	Very low	25.7	Very low	195 Å²	195	151.8 Å²	151.8	74%	0.736	77%	0.774	S	S	*	*				72.6	131.9	122.6	-84.6	176.4	175.5	-173.5	1.8	123.8
30	R	27	Very low	25.6	Very low	210 Å²	210	154.4 Å²	154.4	79%	0.792	78%	0.782	S	S	*	*				102.9	157.7	122.8	-94	-175.7	176	-171	-0.6	121.2
31	V	25.5	Very low	25.4	Very low	142 Å²	142	149.8 Å²	149.8	86%	0.861	78%	0.776	S	S	*	*			trans	75.1	137	170.9	-160.7	0	0	0	0	115.4
32	G	24	Very low	25.2	Very low	65 Å²	65	152.1 Å²	152.1	67%	0.67	78%	0.78	S	S	*	*			cis	147.1	108.4	-14.9	0	0	0	0	0	115.8
33	S	24.7	Very low	25	Very low	108 Å²	108	155.4 Å²	155.4	76%	0.755	79%	0.785	S	S	*	*			trans	28.4	128	153.1	-169	0	0	0	0	121.3
34	M	25.7	Very low	25.1	Very low	184 Å²	184	155 Å²	155	91%	0.906	79%	0.786	S	S	*	*				-159.9	155.2	122.4	-115.7	-174.1	-62.8	0	0	116.8
35	M	23.2	Very low	25	Very low	170 Å²	170	151 Å²	151	84%	0.837	78%	0.783	S	S	*	*			trans	-79.3	160.3	-165	-46.8	163.7	92.4	0	0	116.2
36	R	24.5	Very low	25.1	Very low	252 Å²	252	152.3 Å²	152.3	95%	0.951	79%	0.789	S	S	*	*			trans	179.5	162.3	137.7	-99.3	170	-177.6	-158.6	1.7	109.3
37	S	23.7	Very low	25.1	Very low	85 Å²	85	147.9 Å²	147.9	59%	0.594	78%	0.776	S	S	*	*			cis	177.3	133.3	-30.1	162	0	0	0	0	110.9
38	R	25.9	Very low	25.2	Very low	235 Å²	235	150 Å²	150	89%	0.887	78%	0.78	S	S	*	*			trans	63.6	170.7	161.1	-73.5	175.7	-178.2	-171.6	-1.2	116.2
39	S	23.7	Very low	25.3	Very low	75 Å²	75	148.3 Å²	148.3	52%	0.524	78%	0.779	S	S	.	*			cis	-161.5	166.5	-21.9	43.8	0	0	0	0	109.1
40	E	23.4	Very low	25.4	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	78%	0.779	S	S	*	*			trans	58.5	160.1	175.9	-67.1	104	-140.6	0	0	116
41	G	23.6	Very low	26.4	Very low	66 Å²	66	139.9 Å²	139.9	68%	0.68	77%	0.774	S	S	*	*			cis	130.3	105.4	-8.7	0	0	0	0	0	113.3
42	T	25.2	Very low	26.4	Very low	145 Å²	145	138.5 Å²	138.5	89%	0.89	77%	0.771	S	S	*	*			trans	-172.5	151.9	162.8	-81.5	0	0	0	0	110.6
43	L	24.1	Very low	26.6	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	78%	0.775	S	S	*	*			trans	-87.4	163.8	176.2	-71.6	154.1	0	0	0	112.2
44	I	27.2	Very low	26.7	Very low	158 Å²	158	142 Å²	142	81%	0.81	77%	0.774	S	S	*	*			trans	-166.6	128.3	139.3	-100.5	148.9	0	0	0	108.6
45	D	24.5	Very low	26.9	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	77%	0.765	S	S	*	*			trans	-84.1	148	163.5	-80.7	-56.7	0	0	0	109.8
46	L	28.9	Very low	27.5	Very low	172 Å²	172	138.6 Å²	138.6	90%	0.901	76%	0.763	S	S	*	*			trans	-144.6	135.6	152	-96.7	177.6	0	0	0	109.1
47	S	25	Very low	27.6	Very low	88 Å²	88	133.9 Å²	133.9	62%	0.615	76%	0.756	S	S	*	*			trans	-128.7	170.5	-169.6	59.6	0	0	0	0	112.6
48	D	28.7	Very low	27.9	Very low	133 Å²	133	133.3 Å²	133.3	71%	0.711	76%	0.763	S	S	*	*			trans	80.5	137.7	149.8	-53.1	-36.1	0	0	0	122.1
49	D	26	Very low	27.8	Very low	139 Å²	139	125 Å²	125	74%	0.743	75%	0.751	S	S	*	*			trans	72.1	139	143.6	-65	3.2	0	0	0	123.9
50	T	29.3	Very low	27.9	Very low	119 Å²	119	131.1 Å²	131.1	73%	0.73	77%	0.769	S	S	*	*			cis	-153.8	-134.3	-28.1	33.4	0	0	0	0	110.3
51	P	46.8	Very low	28.4	Very low	108 Å²	108	128.6 Å²	128.6	70%	0.701	77%	0.765	S	S	*	*				-134	-144.3	-114.1	46.1	-25.7	0	0	0	115
52	S	26.3	Very low	29.4	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	77%	0.77	S	S	*	*			trans	87.1	146.8	174.3	79.3	0	0	0	0	116.1
53	S	27.9	Very low	29.5	Very low	106 Å²	106	128 Å²	128	74%	0.741	77%	0.766	S	S	*	*			cis	-177.2	152.8	-13.7	49.2	0	0	0	0	109
54	D	26.7	Very low	29.8	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	77%	0.77	S	S	*	*			cis	-149.8	-139	-1.9	-154.2	-99	0	0	0	112.1
55	N	30.1	Very low	29.8	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	76%	0.76	S	S	*	*			trans	-125.2	-165.3	-164.7	-60.7	-89	0	0	0	114.3
56	L	35.3	Very low	30	Very low	151 Å²	151	129.3 Å²	129.3	79%	0.791	76%	0.756	S	S	*	*			trans	121.4	138.8	156.1	-65.4	170.9	0	0	0	113.7
57	N	27.7	Very low	29.8	Very low	153 Å²	153	127 Å²	127	82%	0.818	75%	0.75	S	S	*	*			cis	-136.5	173.1	11.6	-74.2	-74	0	0	0	110.7
58	G	30	Very low	29.8	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	75%	0.751	S	S	*	*			cis	153.6	147.1	-6.2	0	0	0	0	0	113.4
59	G	23.4	Very low	29.5	Very low	60 Å²	60	127.9 Å²	127.9	62%	0.619	75%	0.754	S	S	*	*			trans	109.4	115.1	175.5	0	0	0	0	0	115.1
60	F	26.8	Very low	29.3	Very low	205 Å²	205	131.9 Å²	131.9	90%	0.899	76%	0.759	S	S	*	*			cis	81.4	142.6	35.8	-48.5	-35.5	0	0	0	113
61	V	32.4	Very low	28.9	Very low	130 Å²	130	135.3 Å²	135.3	79%	0.788	77%	0.767	S	S	*	*			cis	-174.5	171.2	4.3	104.6	0	0	0	0	108.8
62	P	45.5	Very low	27.7	Very low	122 Å²	122	139 Å²	139	79%	0.792	77%	0.773	S	S	*	*			cis	-135.1	-164.8	-28.6	43.8	-26.1	0	0	0	114
63	G	27.8	Very low	27.5	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	78%	0.777	S	S	*	*			trans	158.8	98.8	152.1	0	0	0	0	0	121.1
64	R	28.9	Very low	27.1	Very low	236 Å²	236	146.3 Å²	146.3	89%	0.891	79%	0.786	S	S	*	*			trans	-49.8	172.7	170.4	-90	175.3	157.6	-175.9	-4.9	118.1
65	T	26.9	Very low	27.4	Very low	100 Å²	100	144.9 Å²	144.9	61%	0.613	78%	0.784	S	S	*	*			cis	-163.7	151.2	23	-11.3	0	0	0	0	115.6
66	Q	30.3	Very low	27.1	Very low	158 Å²	158	145.3 Å²	145.3	74%	0.738	78%	0.782	S	S	*	*			trans	50.4	120	136.8	-85.3	165.8	-20.8	0	0	123.5
67	T	24.7	Very low	26.5	Very low	124 Å²	124	146.1 Å²	146.1	76%	0.761	78%	0.779	S	S	*	*				69.6	143.7	91.1	60.9	0	0	0	0	117
68	S	24.2	Very low	26.3	Very low	92 Å²	92	144 Å²	144	64%	0.643	78%	0.776	S	S	*	*			cis	-169.5	-178.1	-7.1	44.6	0	0	0	0	112.2
69	D	22.8	Very low	26	Very low	147 Å²	147	147 Å²	147	79%	0.786	78%	0.779	S	S	*	*			trans	89.7	164.2	154.9	-57.5	-56.3	0	0	0	123.1
70	W	22.7	Very low	26.1	Very low	224 Å²	224	149.1 Å²	149.1	85%	0.848	79%	0.785	S	S	*	*			trans	-127	155.6	-157.7	-80.4	77.2	0	0	0	113.7
71	Q	20.3	Very low	26.1	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	77%	0.774	S	S	*	*				-169.5	178.6	124.3	-107.7	179.1	17.7	0	0	114.7
72	F	21.4	Very low	26	Very low	186 Å²	186	147.2 Å²	147.2	82%	0.816	78%	0.781	S	S	*	*			trans	-92.4	153.7	-162.7	-82.8	-111.7	0	0	0	115.9
73	S	20.8	Very low	25.1	Very low	126 Å²	126	147.5 Å²	147.5	88%	0.881	78%	0.781	S	S	*	*			trans	-170.5	163.8	135.4	40.5	0	0	0	0	113.8
74	R	20.3	Very low	25.3	Very low	246 Å²	246	153.6 Å²	153.6	93%	0.928	79%	0.785	S	S	*	*			trans	-152.9	171	177.3	-115	-172.7	-179.7	-173.4	1.8	106.4
75	P	34.2	Very low	25.5	Very low	109 Å²	109	147.7 Å²	147.7	71%	0.708	77%	0.771	S	S	*	*			cis	-125.8	-173.6	-3	38.4	-18.8	0	0	0	112.7
76	E	22.1	Very low	26.2	Very low	143 Å²	143	148.2 Å²	148.2	67%	0.668	78%	0.776	S	S	*	*				-169.3	151.5	93.1	-88.7	-149	116.9	0	0	115
77	K	23.8	Very low	26.4	Very low	167 Å²	167	149.2 Å²	149.2	73%	0.726	78%	0.779	S	S	*	*			trans	28.5	107.4	144	-65.2	168.1	-172.4	154	0	119.2
78	S	22.1	Very low	27	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	78%	0.783	S	S	*	*				80	141.7	93.8	75.7	0	0	0	0	114.6
79	V	25.1	Very low	27.6	Very low	135 Å²	135	158.4 Å²	158.4	82%	0.818	79%	0.79	S	S	*	*			cis	-131.2	169.4	41.2	170.1	0	0	0	0	113.2
80	S	25.7	Very low	28.3	Very low	105 Å²	105	158.8 Å²	158.8	73%	0.734	79%	0.792	S	S	*	*			trans	-66.1	142.6	-166.2	53.3	0	0	0	0	117.7
81	S	26.8	Very low	29.1	Very low	95 Å²	95	155.3 Å²	155.3	66%	0.664	79%	0.789	S	S	*	*			trans	-67.1	158.2	155.1	54	0	0	0	0	113.2
82	Q	28.8	Very low	29.9	Very low	201 Å²	201	150.7 Å²	150.7	94%	0.939	78%	0.778	S	S	*	*			trans	-122.2	127.3	140.8	-81.6	-161.9	-7.4	0	0	110.9
83	T	27.6	Very low	30.7	Very low	128 Å²	128	145.7 Å²	145.7	79%	0.785	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-91.5	126.5	-171.7	45.9	0	0	0	0	112.1
84	K	32.1	Very low	31.6	Very low	204 Å²	204	145 Å²	145	89%	0.887	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-91.6	128.7	161.2	-73.2	-174.7	175.4	179.8	0	109.8
85	N	33	Very low	32.3	Very low	112 Å²	112	136.7 Å²	136.7	60%	0.599	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-70.5	130.5	-173.2	-170.3	-17.2	0	0	0	111.4	F87	N85-F87 VanDerWaalsContact C-N 3.34Å; N85-F87 PolarHBondContact O-N 3.35Å; N85-F87 WeakPolarHBondContact OD1-CD2 3.28Å
86	P	40.9	Very low	32.5	Very low	111 Å²	111	136.8 Å²	136.8	72%	0.721	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-68.7	-17.2	-165.6	-24.1	35.7	0	0	0	117.5	W88	P86-W88 PolarHBondContact O-N 3.13Å
87	F	36	Very low	33.2	Very low	180 Å²	180	138.7 Å²	138.7	79%	0.789	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-67.2	-5.6	-168	-71.4	-74.2	0	0	0	116.2	N85	N85-F87 VanDerWaalsContact C-N 3.34Å; N85-F87 PolarHBondContact O-N 3.35Å; N85-F87 WeakPolarHBondContact OD1-CD2 3.28Å
88	W	36	Very low	34.1	Very low	227 Å²	227	135.4 Å²	135.4	86%	0.86	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-86.7	1.1	-174	-82.5	85.1	0	0	0	116.4	P86	P86-W88 PolarHBondContact O-N 3.13Å
89	K	36.3	Very low	34.6	Very low	181 Å²	181	136.4 Å²	136.4	79%	0.787	74%	0.742	S	S	*	*	S	Bend	trans	-106.8	-4.8	-173.2	-98.2	-166.8	172.8	-169.5	0	118.1
90	N	39.2	Very low	35.3	Very low	155 Å²	155	137 Å²	137	83%	0.829	74%	0.741	S	S	*	*			trans	-110	27.7	-171	-73.3	7.6	0	0	0	115.2
91	L	38.3	Very low	36.1	Very low	151 Å²	151	137.9 Å²	137.9	79%	0.791	74%	0.736	S	S	*	*	S	Bend	trans	-94.1	-11.3	176.3	-81.5	168.1	0	0	0	114.8	G93	L91-G93 VanDerWaalsContact C-N 3.35Å; L91-G93 PolarHBondContact O-N 2.81Å
92	S	38.2	Very low	36.5	Very low	94 Å²	94	138.5 Å²	138.5	66%	0.657	74%	0.735	S	S	*	*	S	Bend	trans	-84.4	-0.5	-176.2	-40.6	0	0	0	0	115	S94	S92-S94 PolarHBondContact O-N 2.96Å
93	G	38	Very low	36.7	Very low	81 Å²	81	136.8 Å²	136.8	84%	0.835	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	0.9	-163.1	0	0	0	0	0	117.5	L91	L91-G93 VanDerWaalsContact C-N 3.35Å; L91-G93 PolarHBondContact O-N 2.81Å
94	S	39.6	Very low	36.8	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	7.3	-163.6	55.1	0	0	0	0	116.6	S92	S92-S94 PolarHBondContact O-N 2.96Å
95	N	34.5	Very low	36.8	Very low	72 Å²	72	131.7 Å²	131.7	39%	0.385	72%	0.719	S	S	.	*			trans	-150.2	115.2	173	-169.8	-11.9	0	0	0	112.6	F97 L98	N95-F97 PolarHBondContact O-N 3.39Å; N95-F97 VanDerWaalsContact O-N 3.09Å; N95-F97 WeakPolarHBondContact OD1-CB 3.42Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.4Å; N95-F97 PolarHBondContact OD1-N 3.47Å; N95-F97 VanDerWaalsContact OD1-N 3.08Å; N95-L98 HydrophobicContact CB-CD1 4Å; N95-L98 HydrophobicContact CB-CG 4.31Å; N95-L98 WeakPolarHBondContact ND2-CD1 3.48Å
96	P	38.3	Very low	36.6	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	17.4	179.1	35.3	-37.8	0	0	0	114.3
97	F	37.1	Very low	35.8	Very low	183 Å²	183	133.3 Å²	133.3	80%	0.803	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	20.7	178	-61.2	-75.1	0	0	0	113.1	N95	N95-F97 PolarHBondContact O-N 3.39Å; N95-F97 VanDerWaalsContact O-N 3.09Å; N95-F97 WeakPolarHBondContact OD1-CB 3.42Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.4Å; N95-F97 PolarHBondContact OD1-N 3.47Å; N95-F97 VanDerWaalsContact OD1-N 3.08Å
98	L	41.6	Very low	35.4	Very low	99 Å²	99	133.1 Å²	133.1	52%	0.518	74%	0.736	S	S	.	*			trans	-136	31.1	-172.1	-69.9	-179.4	0	0	0	115.6	N95 I101	N95-L98 HydrophobicContact CB-CD1 4Å; N95-L98 HydrophobicContact CB-CG 4.31Å; N95-L98 WeakPolarHBondContact ND2-CD1 3.48Å; L98-I101 HydrophobicContact CD2-CD1 4.29Å
99	D	33.5	Very low	35.1	Very low	129 Å²	129	128.1 Å²	128.1	69%	0.69	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-72.3	-28.6	178.7	-75	-48	0	0	0	114.3	I101 V102	D99-I101 PolarHBondContact O-N 2.78Å; D99-V102 PolarHBondContact O-N 3.05Å
100	D	39.7	Very low	34.5	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-63.1	-11.1	-173.1	-71.9	-24	0	0	0	115.7	V102	D100-V102 VanDerWaalsContact C-N 3.27Å; D100-V102 PolarHBondContact O-N 3.44Å
101	I	42.5	Very low	33.8	Very low	124 Å²	124	127.5 Å²	127.5	64%	0.636	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-76.2	-14.3	-174.5	-61.8	179.2	0	0	0	112.1	L98 D99	L98-I101 HydrophobicContact CD2-CD1 4.29Å; D99-I101 PolarHBondContact O-N 2.78Å
102	V	35.9	Very low	33.1	Very low	107 Å²	107	128 Å²	128	65%	0.648	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-87.3	-5.4	-174.3	-173.1	0	0	0	0	113.7	D99 D100	D99-V102 PolarHBondContact O-N 3.05Å; D100-V102 VanDerWaalsContact C-N 3.27Å; D100-V102 PolarHBondContact O-N 3.44Å
103	H	32.4	Very low	32.4	Very low	166 Å²	166	127 Å²	127	77%	0.769	74%	0.742	S	S	*	*	S	Bend	trans	-116.4	4.1	-176.3	-70.3	-22.4	0	0	0	116.1	G105	H103-G105 PolarHBondContact O-N 3.18Å
104	I	30.1	Very low	31.7	Very low	159 Å²	159	128.8 Å²	128.8	82%	0.815	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	67.9	167.7	-49.7	179.5	0	0	0	108.8
105	G	31.7	Very low	30.9	Very low	66 Å²	66	133 Å²	133	68%	0.68	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.1	-9.6	-171.1	0	0	0	0	0	116.3	H103	H103-G105 PolarHBondContact O-N 3.18Å
106	T	28	Very low	30.5	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	77%	0.765	S	S	*	*			trans	-149.4	115.8	174.5	9.9	0	0	0	0	110
107	C	24.9	Very low	30	Very low	124 Å²	124	138.2 Å²	138.2	84%	0.838	77%	0.767	S	S	*	*			trans	-130.8	104.4	165.7	-65.8	0	0	0	0	107.9
108	E	27.7	Very low	29.5	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	77%	0.768	S	S	*	*			trans	-71.5	137.1	165.3	-64.7	-177	150.4	0	0	109	T110	E108-T110 PolarHBondContact O-N 3.22Å
109	P	28.6	Very low	28.6	Very low	122 Å²	122	136.7 Å²	136.7	79%	0.792	78%	0.779	S	S	*	*			trans	-89.2	99.7	-178.4	33.1	-32.6	0	0	0	111.7	F111	P109-F111 PolarHBondContact O-N 2.94Å
110	T	24.3	Very low	28.1	Very low	122 Å²	122	139 Å²	139	75%	0.748	79%	0.786	S	S	*	*			trans	-89.6	89.9	171.3	-38.5	0	0	0	0	111.1	E108	E108-T110 PolarHBondContact O-N 3.22Å
111	F	25.2	Very low	27.4	Very low	201 Å²	201	137.9 Å²	137.9	88%	0.882	79%	0.785	S	S	*	*			trans	-94.5	116.3	164.2	-101.2	-87.3	0	0	0	109.8	P109	P109-F111 PolarHBondContact O-N 2.94Å
112	N	22.9	Very low	26.5	Very low	160 Å²	160	136.9 Å²	136.9	86%	0.856	80%	0.795	S	S	*	*			trans	-89.9	104.8	167.1	-81.9	-6.5	0	0	0	109.3
113	G	24.1	Very low	25.9	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	80%	0.804	S	S	*	*			trans	-140.4	125.1	168.5	0	0	0	0	0	108.5
114	S	23	Very low	26.4	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	80%	0.798	S	S	*	*			trans	-80.7	138	-174.8	53.2	0	0	0	0	112.3
115	E	23.2	Very low	26.2	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	80%	0.797	S	S	*	*			trans	-152.7	173.2	146.2	-132.5	161.5	-145.4	0	0	113.2
116	V	26.4	Very low	26	Very low	119 Å²	119	140.9 Å²	140.9	72%	0.721	80%	0.804	S	S	*	*			trans	-130.4	122.1	-155.5	172.9	0	0	0	0	111.9
117	K	26.5	Very low	25.9	Very low	173 Å²	173	137.4 Å²	137.4	75%	0.752	79%	0.794	S	S	*	*			trans	68.6	126.3	157.3	-76	175.7	170.1	-169.1	0	121.2
118	Q	26.4	Very low	26	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	79%	0.791	S	S	*	*			trans	77.2	121.6	132.4	-67.3	177.2	-89.6	0	0	121.8
119	G	22.7	Very low	26.2	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	79%	0.785	S	S	*	*			trans	86.8	154	149.4	0	0	0	0	0	117.4
120	E	23.3	Very low	26.3	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	78%	0.777	S	S	*	*			cis	-163.9	164.8	-24.8	-137.7	175	172.3	0	0	110.4
121	T	25.2	Very low	26.5	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	78%	0.778	S	S	*	*			trans	52.8	120.7	157.8	50.9	0	0	0	0	123.6
122	A	24.5	Very low	26.5	Very low	104 Å²	104	129.5 Å²	129.5	86%	0.86	77%	0.769	S	S	*	*				91.6	145.9	122.6	0	0	0	0	0	124.1
123	H	21.9	Very low	26.5	Very low	182 Å²	182	126.9 Å²	126.9	84%	0.843	76%	0.764	S	S	*	*			trans	-99.2	-176.2	176	-91.4	-69.3	0	0	0	110.9
124	P	44.3	Very low	26.5	Very low	98 Å²	98	130.7 Å²	130.7	64%	0.636	77%	0.765	S	S	*	*			cis	-135.9	-148.3	-18.3	30.7	-5.2	0	0	0	112.9
125	D	25.9	Very low	26.7	Very low	147 Å²	147	129.3 Å²	129.3	79%	0.786	76%	0.755	S	S	*	*			trans	79	145.5	149.9	-73.4	8.3	0	0	0	119.9
126	D	27.4	Very low	26.7	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	74%	0.743	S	S	*	*			cis	-158.5	170.7	-5.6	-173.5	21.7	0	0	0	111.4
127	G	26.2	Very low	26.8	Very low	60 Å²	60	125.3 Å²	125.3	62%	0.619	74%	0.744	S	S	*	*			trans	97.3	117.1	168.4	0	0	0	0	0	116
128	N	26.8	Very low	27	Very low	142 Å²	142	125.3 Å²	125.3	76%	0.759	75%	0.746	S	S	*	*			cis	75.7	134.6	23.1	-134.2	66.1	0	0	0	113.8
129	D	31.9	Very low	27	Very low	132 Å²	132	120.3 Å²	120.3	71%	0.706	74%	0.742	S	S	*	*			cis	-162	170.3	-3.2	-126.1	-15.6	0	0	0	107.4
130	D	30.8	Very low	27.1	Very low	116 Å²	116	121.6 Å²	121.6	62%	0.62	74%	0.74	S	S	*	*			cis	-146.6	-179.4	-22.8	175.6	41.4	0	0	0	106.1	T132	D130-T132 PolarHBondContact OD2-N 2.89Å; D130-T132 PolarHBondContact OD2-OG1 2.86Å
131	G	27.2	Very low	27.3	Very low	75 Å²	75	121.2 Å²	121.2	77%	0.773	74%	0.741	S	S	*	*			trans	-162.7	39.9	166.3	0	0	0	0	0	116.8
132	T	26.3	Very low	27.3	Very low	114 Å²	114	118.6 Å²	118.6	70%	0.699	74%	0.739	S	S	*	*			trans	-80.2	167.8	178.7	62.3	0	0	0	0	112.9	D130	D130-T132 PolarHBondContact OD2-N 2.89Å; D130-T132 PolarHBondContact OD2-OG1 2.86Å
133	S	23.5	Very low	27.3	Very low	106 Å²	106	119.9 Å²	119.9	74%	0.741	73%	0.731	S	S	*	*			cis	-159	-151.9	10	-162	0	0	0	0	110.9
134	I	24	Very low	27.4	Very low	154 Å²	154	119.7 Å²	119.7	79%	0.79	73%	0.728	S	S	*	*			trans	80.6	136.8	159.6	-51.1	177.9	0	0	0	117.5
135	S	25.4	Very low	26.4	Very low	90 Å²	90	120.1 Å²	120.1	63%	0.629	73%	0.733	S	S	*	*			cis	-167.8	165.8	-27.3	65.8	0	0	0	0	111.3
136	S	25	Very low	26.4	Very low	97 Å²	97	118 Å²	118	68%	0.678	74%	0.737	S	S	*	*			trans	44.4	159.9	140.1	68.9	0	0	0	0	122.6
137	D	27.1	Very low	26.1	Very low	136 Å²	136	117.8 Å²	117.8	73%	0.727	74%	0.736	S	S	*	*			cis	-157.1	173.1	1.7	-131	-25.4	0	0	0	112.8
138	E	31.6	Very low	26	Very low	173 Å²	173	127 Å²	127	81%	0.808	75%	0.751	S	S	*	*			trans	44.5	143.3	155.2	-67.3	-77.6	114.4	0	0	120.4
139	G	26.4	Very low	25.9	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	75%	0.75	S	S	*	*			cis	152.3	167.9	9.8	0	0	0	0	0	108.1
140	S	24.5	Very low	25.6	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	75%	0.754	S	S	*	*			cis	-168.2	165.5	-18.5	-167.8	0	0	0	0	109
141	I	26.7	Very low	25.2	Very low	169 Å²	169	129.6 Å²	129.6	87%	0.867	76%	0.761	S	S	*	*			trans	68.3	143.1	172.6	-56.5	165.7	0	0	0	115.2
142	G	26.1	Very low	25.1	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	75%	0.751	S	S	*	*			cis	165.5	-179.1	-0.6	0	0	0	0	0	108.8
143	N	23.6	Very low	25	Very low	132 Å²	132	130.8 Å²	130.8	71%	0.706	75%	0.752	S	S	*	*			cis	-163.7	-175.7	-13.2	-151.4	-9.2	0	0	0	108.8
144	F	25.5	Very low	25	Very low	178 Å²	178	133.4 Å²	133.4	78%	0.781	75%	0.752	S	S	*	*			trans	70.4	125.2	173.8	-44.3	-74.7	0	0	0	116.6
145	S	23.6	Very low	24.9	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	76%	0.758	S	S	*	*			cis	85.2	110.8	19.7	92.3	0	0	0	0	117.2
146	A	24.4	Very low	24.9	Very low	104 Å²	104	131 Å²	131	86%	0.86	76%	0.759	S	S	*	*			trans	-174.5	144	130.3	0	0	0	0	0	112.6
147	N	22.4	Very low	25	Very low	149 Å²	149	138 Å²	138	80%	0.797	77%	0.771	S	S	*	*			trans	-73.4	162.7	176.8	-61.3	-52.4	0	0	0	113.3
148	R	22.8	Very low	24.9	Very low	252 Å²	252	143.6 Å²	143.6	95%	0.951	78%	0.782	S	S	*	*				-124.6	145.5	129.7	-76.4	-164	177.9	-165.7	0.7	110.4
149	L	26.2	Very low	24.5	Very low	141 Å²	141	147.1 Å²	147.1	74%	0.738	79%	0.788	S	S	*	*			trans	-84.3	162.5	-179.9	-77.7	156.6	0	0	0	111.3
150	K	24.7	Very low	24.4	Very low	178 Å²	178	149.1 Å²	149.1	77%	0.774	79%	0.79	S	S	*	*			trans	25.3	137.5	130.8	-60	-176.8	-177.5	-179.3	0	117
151	T	23.5	Very low	24.3	Very low	127 Å²	127	148.5 Å²	148.5	78%	0.779	79%	0.791	S	S	*	*			cis	177.8	179.7	20.9	14.4	0	0	0	0	106
152	S	23.1	Very low	24.1	Very low	80 Å²	80	144.7 Å²	144.7	56%	0.559	78%	0.78	S	S	*	*			cis	-170.7	165.1	-14.6	45.8	0	0	0	0	107.2
153	N	24.1	Very low	24.1	Very low	134 Å²	134	146.4 Å²	146.4	72%	0.717	77%	0.773	S	S	*	*			trans	65.8	154.7	153	-62.5	-9.4	0	0	0	118
154	Q	23.5	Very low	24.4	Very low	160 Å²	160	142.2 Å²	142.2	75%	0.748	75%	0.75	S	S	*	*			cis	-159.6	156.3	-22	-117.5	179.4	-4.5	0	0	109.8
155	S	23.4	Very low	24.6	Very low	131 Å²	131	137 Å²	137	92%	0.916	73%	0.73	S	S	*	*			trans	63.7	179.1	163.1	82.4	0	0	0	0	116.4
156	G	24.8	Very low	24.9	Very low	63 Å²	63	134.4 Å²	134.4	65%	0.649	71%	0.712	S	S	*	*			trans	135.9	4.1	164	0	0	0	0	0	120.4	W158	G156-W158 PolarHBondContact O-N 3.06Å
157	R	27	Very low	25.5	Very low	244 Å²	244	130.9 Å²	130.9	92%	0.921	68%	0.678	S	S	*	*			trans	39.9	80	152.7	-168.2	-169	-165.4	179.4	5.5	116.8	R159	R157-R159 PolarHBondContact O-N 3.24Å
158	W	24.1	Very low	26.4	Very low	254 Å²	254	125.9 Å²	125.9	96%	0.962	65%	0.651	S	S	*	*			trans	-58.7	134.8	175.8	-72.9	80.5	0	0	0	113.5	G156	G156-W158 PolarHBondContact O-N 3.06Å
159	R	24.1	Very low	27	Very low	247 Å²	247	116 Å²	116	93%	0.932	62%	0.616	S	S	*	*			trans	-137.2	136.4	153.2	-91.5	-159.7	173.2	-153.7	-0.7	111.7	R157	R157-R159 PolarHBondContact O-N 3.24Å
160	S	24.2	Very low	27.4	Very low	112 Å²	112	113.7 Å²	113.7	78%	0.783	60%	0.6	S	S	*	*			trans	-59.5	131.5	-176.9	-179	0	0	0	0	115.5
161	A	22	Very low	27.7	Very low	89 Å²	89	113.5 Å²	113.5	74%	0.736	60%	0.599	S	S	*	*				-156.7	120.8	128.4	0	0	0	0	0	106.7
162	S	23.9	Very low	28.1	Very low	89 Å²	89	111 Å²	111	62%	0.622	60%	0.598	S	S	*	*				67.7	72.8	62.7	-61	0	0	0	0	113.3
163	D	25.1	Very low	28.8	Very low	105 Å²	105	112.3 Å²	112.3	56%	0.561	61%	0.605	S	S	*	*			trans	-153.4	43.2	173.3	-126.4	17	0	0	0	119.3	K201	D163-K201 VanDerWaalsContact O-CE 3.22Å; D163-K201 WeakPolarHBondContact O-CE 3.17Å; D163-K201 PolarHBondContact O-NZ 2.62Å; D163-K201 WeakPolarHBondContact OD1-CE 3.44Å; D163-K201 IonicContact OD1-NZ 2.89Å; D163-K201 WeakPolarHBondContact OD2-CE 3.3Å; D163-K201 IonicContact OD2-NZ 2.94Å; D163-K201 PolarHBondContact OD2-NZ 2.86Å
164	I	29.5	Very low	29.2	Very low	44 Å²	44	111.2 Å²	111.2	23%	0.226	59%	0.594	C	S	.	*			trans	46.3	117.4	132.6	-65.8	80.9	0	0	0	122.5	K201 W204 L205	I164-K201 HydrophobicContact CB-CG 3.9Å; I164-K201 HydrophobicContact CG2-CB 4.03Å; I164-K201 HydrophobicContact CG2-CG 3.8Å; I164-K201 WeakPolarHBondContact O-CB 3.4Å; I164-K201 WeakPolarHBondContact O-CD 3.33Å; I164-K201 VanDerWaalsContact O-CG 3.23Å; I164-K201 WeakPolarHBondContact O-CG 3.12Å; I164-W204 HydrophobicContact CG2-CE3 4.19Å; I164-L205 HydrophobicContact CB-CD1 4.24Å; I164-L205 HydrophobicContact CB-CG 4.34Å; I164-L205 HydrophobicContact CD1-CD1 3.87Å; I164-L205 HydrophobicContact CD1-CD2 4.15Å; I164-L205 HydrophobicContact CD1-CG 4.16Å; I164-L205 HydrophobicContact CG1-CD1 3.95Å; I164-L205 HydrophobicContact CG1-CD2 4.13Å; I164-L205 HydrophobicContact CG1-CG 3.85Å; I164-L205 HydrophobicContact CG2-CD1 4.44Å; I164-L205 HydrophobicContact CG2-CG 4.16Å
165	L	29.3	Very low	29.4	Very low	68 Å²	68	108.1 Å²	108.1	36%	0.356	58%	0.578	S	S	.	*			trans	59.2	-154.5	138.6	-67.4	171.4	0	0	0	126.4	R197 Y200 W204	L165-R197 PolarHBondContact O-NE 3.11Å; L165-R197 PolarHBondContact O-NH2 3.17Å; L165-Y200 HydrophobicContact CB-CD1 4.46Å; L165-Y200 HydrophobicContact CB-CE1 3.94Å; L165-W204 HydrophobicContact CD1-CD2 3.45Å; L165-W204 VanDerWaalsContact CD1-CD2 3.45Å; L165-W204 HydrophobicContact CD1-CE3 3.59Å; L165-W204 HydrophobicContact CD1-CG 4.1Å; L165-W204 HydrophobicContact CD1-CH2 3.54Å; L165-W204 HydrophobicContact CD1-CZ2 3.44Å; L165-W204 VanDerWaalsContact CD1-CZ2 3.44Å; L165-W204 HydrophobicContact CD1-CZ3 3.63Å
166	S	31.1	Very low	29.5	Very low	51 Å²	51	110.4 Å²	110.4	36%	0.357	57%	0.567	S	S	.	*			trans	-148.2	-106	-137.7	45.6	0	0	0	0	118.7	Y200 K798	S166-Y200 VanDerWaalsContact N-CD1 3.27Å; S166-Y200 WeakPolarHBondContact O-CD1 3.4Å; S166-Y200 WeakPolarHBondContact OG-CE1 3.43Å; S166-K798 VanDerWaalsContact C-CE 3.48Å; S166-K798 WeakPolarHBondContact O-CE 3.49Å; S166-K798 PolarHBondContact O-NZ 2.74Å
167	D	37.5	Very low	29.4	Very low	30 Å²	30	114.3 Å²	114.3	16%	0.16	57%	0.573	C	S	.	*			trans	70.7	163.1	172	-68.9	-47.3	0	0	0	118.8	K194 Y200 K798	D167-K194 WeakPolarHBondContact O-CA 3.45Å; D167-K194 WeakPolarHBondContact O-CG 3.39Å; D167-Y200 VanDerWaalsContact CB-CB 3.43Å; D167-Y200 HydrophobicContact CB-CD1 2.68Å; D167-Y200 HydrophobicContact CB-CD2 3.17Å; D167-Y200 HydrophobicContact CB-CE1 3.35Å; D167-Y200 HydrophobicContact CB-CE2 3.78Å; D167-Y200 HydrophobicContact CB-CG 2.58Å; D167-Y200 VanDerWaalsContact N-CE1 3.31Å; D167-Y200 WeakPolarHBondContact OD1-CD1 3.27Å; D167-Y200 WeakPolarHBondContact OD1-CD2 3.4Å; D167-Y200 WeakPolarHBondContact OD1-CE1 3.46Å; D167-Y200 WeakPolarHBondContact OD1-CE2 3.31Å; D167-Y200 PolarHBondContact OD1-OH 3.43Å; D167-Y200 WeakPolarHBondContact OD2-CD1 3.35Å; D167-Y200 WeakPolarHBondContact OD2-CD2 3.23Å; D167-Y200 WeakPolarHBondContact OD2-CE1 3.37Å; D167-Y200 WeakPolarHBondContact OD2-CE2 3.27Å; D167-Y200 PolarHBondContact OD2-OH 3.05Å; D167-K798 WeakPolarHBondContact O-CE 3.26Å; D167-K798 PolarHBondContact O-NZ 3.24Å
168	L	39.6	Very low	29.2	Very low	44 Å²	44	110.4 Å²	110.4	23%	0.23	57%	0.57	C	S	.	*			cis	-159.7	-100.7	2.6	-119.9	166.5	0	0	0	119.7	F190 E191 L193 K194 Y200	L168-F190 HydrophobicContact CD1-CB 3.29Å; L168-F190 HydrophobicContact CD1-CG 4.45Å; L168-F190 WeakPolarHBondContact CD1-O 3.3Å; L168-F190 HydrophobicContact CD2-CB 3.92Å; L168-F190 HydrophobicContact CG-CB 4.23Å; L168-E191 HydrophobicContact CD2-CG 4.31Å; L168-L193 HydrophobicContact CD1-CB 4.17Å; L168-K194 HydrophobicContact CB-CB 4.06Å; L168-K194 WeakPolarHBondContact O-CE 3.37Å; L168-K194 PolarHBondContact O-NZ 2.87Å; L168-Y200 HydrophobicContact CD1-CD2 3.19Å; L168-Y200 HydrophobicContact CD1-CE2 4.08Å; L168-Y200 HydrophobicContact CD1-CG 4.33Å; L168-Y200 HydrophobicContact CG-CD2 3.99Å; L168-Y200 HydrophobicContact CG-CE2 4.38Å
169	E	35.8	Very low	29.3	Very low	45 Å²	45	103.5 Å²	103.5	21%	0.21	56%	0.56	C	S	.	*			trans	21.8	136.3	174.6	-89.2	67.3	-46.9	0	0	125	E191 W192 L193 K194 N195	E169-E191 VanDerWaalsContact CD-C 3.48Å; E169-E191 WeakPolarHBondContact CG-O 3.2Å; E169-E191 WeakPolarHBondContact OE1-CA 3.29Å; E169-W192 WeakPolarHBondContact OE1-CA 3.23Å; E169-W192 PolarHBondContact OE1-N 2.94Å; E169-L193 PolarHBondContact OE1-N 3.26Å; E169-L193 PolarHBondContact OE2-N 3.35Å; E169-K194 HydrophobicContact CB-CB 3.75Å; E169-K194 HydrophobicContact CB-CD 3.99Å; E169-K194 HydrophobicContact CB-CG 4.45Å; E169-K194 HydrophobicContact CG-CB 3.95Å; E169-K194 PolarHBondContact O-NZ 2.77Å; E169-K194 WeakPolarHBondContact OE1-CB 3.45Å; E169-K194 PolarHBondContact OE1-N 3.46Å; E169-K194 WeakPolarHBondContact OE2-CB 3.48Å; E169-K194 PolarHBondContact OE2-N 2.89Å; E169-N195 PolarHBondContact OE2-ND2 2.86Å
170	K	34.4	Very low	29.3	Very low	92 Å²	92	103.1 Å²	103.1	40%	0.4	56%	0.559	S	S	.	*				152.1	48	73.6	-123.1	160	-99.6	153.4	0	123.2	E191	K170-E191 WeakPolarHBondContact CA-OE2 3.46Å; K170-E191 HydrophobicContact CB-CB 3.98Å; K170-E191 WeakPolarHBondContact CB-O 3.42Å; K170-E191 HydrophobicContact CD-CB 4.19Å; K170-E191 WeakPolarHBondContact CD-O 3.24Å; K170-E191 WeakPolarHBondContact CE-O 3.24Å; K170-E191 WeakPolarHBondContact CE-OE2 3.43Å; K170-E191 HydrophobicContact CG-CB 4.25Å; K170-E191 WeakPolarHBondContact CG-OE2 3.49Å; K170-E191 PolarHBondContact N-OE1 3.2Å; K170-E191 PolarHBondContact N-OE2 2.78Å; K170-E191 PolarHBondContact NZ-O 3.3Å
171	K	31.6	Very low	29.5	Very low	175 Å²	175	103.4 Å²	103.4	76%	0.761	56%	0.558	S	S	*	*			trans	64.9	152.6	152.8	-90.8	178.8	178.7	-173.9	0	126	E191	K171-E191 PolarHBondContact N-OE2 2.94Å
172	G	31.2	Very low	29.8	Very low	73 Å²	73	105.6 Å²	105.6	75%	0.753	57%	0.565	S	S	*	*			trans	171.1	133.8	151.7	0	0	0	0	0	118.3
173	P	38.8	Very low	30	Very low	108 Å²	108	104.5 Å²	104.5	70%	0.701	57%	0.568	S	S	*	*			trans	-139.9	177.4	-170.2	44.5	-29.2	0	0	0	121.2
174	K	32.8	Very low	30.4	Very low	112 Å²	112	105.8 Å²	105.8	49%	0.487	58%	0.582	S	S	.	*			trans	109.8	151.3	169.4	-67.6	-178.4	171.5	-176.6	0	114.9	V268 E270	K174-V268 PolarHBondContact NZ-O 3.5Å; K174-V268 VanDerWaalsContact NZ-O 3.14Å; K174-E270 WeakPolarHBondContact CE-OE2 3.39Å
175	F	27.7	Very low	30.4	Very low	94 Å²	94	110.7 Å²	110.7	41%	0.412	61%	0.614	S	S	.	*			cis	-161.6	158.9	-3.9	-139.9	-81.2	0	0	0	115.1	K239 V268	F175-K239 HydrophobicContact CD2-CD 4.38Å; F175-K239 HydrophobicContact CE2-CB 3.72Å; F175-K239 HydrophobicContact CE2-CD 3.63Å; F175-K239 HydrophobicContact CE2-CG 4.04Å; F175-K239 HydrophobicContact CZ-CB 3.58Å; F175-K239 HydrophobicContact CZ-CD 4.1Å; F175-K239 HydrophobicContact CZ-CG 4.34Å; F175-V268 HydrophobicContact CD2-CG2 4.49Å; F175-V268 HydrophobicContact CE2-CB 4.03Å; F175-V268 HydrophobicContact CE2-CG1 3.59Å; F175-V268 HydrophobicContact CE2-CG2 4.05Å; F175-V268 HydrophobicContact CZ-CB 4.48Å; F175-V268 HydrophobicContact CZ-CG1 3.72Å; F175-V268 HydrophobicContact CZ-CG2 4.29Å
176	R	25.2	Very low	30.4	Very low	180 Å²	180	115.2 Å²	115.2	68%	0.679	64%	0.637	S	S	*	*			trans	65.3	147.9	159.7	-104.8	169.1	-168.6	159.1	10.9	124.9	D241	R176-D241 IonicContact CZ-OD2 3.36Å; R176-D241 VanDerWaalsContact CZ-OD2 3.29Å; R176-D241 IonicContact NH1-OD2 3.43Å; R176-D241 PolarHBondContact NH1-OD2 2.89Å; R176-D241 IonicContact NH2-OD2 3.7Å; R176-D241 PolarHBondContact NH2-OD2 2.94Å
177	N	23.5	Very low	30.4	Very low	145 Å²	145	117.7 Å²	117.7	78%	0.775	66%	0.655	S	S	*	*			trans	-84.7	156.7	-154.3	-42.7	-11.1	0	0	0	116.9
178	D	21.6	Very low	30.1	Very low	161 Å²	161	121.2 Å²	121.2	86%	0.861	68%	0.679	S	S	*	*				-155.5	174.3	104.9	-130.7	-27.1	0	0	0	112.9
179	S	26.6	Very low	29.9	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	70%	0.696	S	S	*	*			trans	-65.5	141.2	-158.6	67.7	0	0	0	0	119.5
180	R	24.5	Very low	30.2	Very low	240 Å²	240	126.6 Å²	126.6	91%	0.906	71%	0.705	S	S	*	*			trans	-155.4	162	165.3	-106	-172.8	179.3	-170.1	-0.3	112.1
181	P	28.7	Very low	30.8	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	69%	0.693	S	S	*	*			trans	-65.1	164.4	173.5	-19.8	33.7	0	0	0	114
182	P	28.3	Very low	31.5	Very low	135 Å²	135	124.3 Å²	124.3	88%	0.877	69%	0.691	S	S	*	*			trans	-75.8	132.1	-162.9	29.2	-35.3	0	0	0	114.9
183	G	27	Very low	32	Very low	67 Å²	67	122 Å²	122	69%	0.691	66%	0.661	S	S	*	*			trans	-99.4	178.7	173	0	0	0	0	0	114.4
184	P	34.4	Very low	32.3	Very low	131 Å²	131	121 Å²	121	85%	0.851	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-81.6	166.6	-164.9	32.2	-36.9	0	0	0	116.1
185	V	28.8	Very low	32.8	Very low	148 Å²	148	122.5 Å²	122.5	90%	0.897	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-72.1	135.4	-175.5	179.5	0	0	0	0	112.5
186	L	29.9	Very low	33.9	Very low	163 Å²	163	122 Å²	122	85%	0.853	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-78.1	142.7	176.8	-66.7	171.1	0	0	0	113.1
187	S	29.9	Very low	34.9	Very low	103 Å²	103	120.5 Å²	120.5	72%	0.72	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-75.2	146	169	50.3	0	0	0	0	112.2
188	P	31.6	Very low	36.3	Very low	103 Å²	103	119.2 Å²	119.2	67%	0.669	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-77	124.2	179	30.3	-33.9	0	0	0	112.7	F190	P188-F190 PolarHBondContact O-N 3.48Å; P188-F190 VanDerWaalsContact O-N 3.11Å
189	D	36.3	Very low	37.6	Very low	110 Å²	110	113.3 Å²	113.3	59%	0.588	62%	0.618	S	S	*	*			trans	-65.8	104.5	169.8	-83	-39.9	0	0	0	111.6	E191	D189-E191 HydrophobicContact CB-CB 4.1Å; D189-E191 HydrophobicContact CB-CG 3.81Å; D189-E191 PolarHBondContact O-N 3.06Å; D189-E191 VanDerWaalsContact O-N 3.14Å
190	F	42.3	Very low	38.9	Very low	92 Å²	92	110.5 Å²	110.5	40%	0.404	59%	0.591	S	S	.	*			trans	-68.7	-3.4	170	-70.7	-82.8	0	0	0	113.5	L168 P188 W192 L193	L168-F190 HydrophobicContact CD1-CB 3.29Å; L168-F190 HydrophobicContact CD1-CG 4.45Å; L168-F190 WeakPolarHBondContact CD1-O 3.3Å; L168-F190 HydrophobicContact CD2-CB 3.92Å; L168-F190 HydrophobicContact CG-CB 4.23Å; P188-F190 PolarHBondContact O-N 3.48Å; P188-F190 VanDerWaalsContact O-N 3.11Å; F190-W192 PolarHBondContact O-N 2.84Å; F190-L193 WeakPolarHBondContact O-CD1 3.38Å
191	E	46.7	Very low	39.9	Very low	33 Å²	33	99.7 Å²	99.7	15%	0.154	55%	0.551	C	S	.	*			trans	-46.8	39.1	-170.1	-72.4	-165.7	141.5	0	0	118.8	L168 E169 K170 K171 D189	L168-E191 HydrophobicContact CD2-CG 4.31Å; E169-E191 VanDerWaalsContact CD-C 3.48Å; E169-E191 WeakPolarHBondContact CG-O 3.2Å; E169-E191 WeakPolarHBondContact OE1-CA 3.29Å; K170-E191 WeakPolarHBondContact CA-OE2 3.46Å; K170-E191 HydrophobicContact CB-CB 3.98Å; K170-E191 WeakPolarHBondContact CB-O 3.42Å; K170-E191 HydrophobicContact CD-CB 4.19Å; K170-E191 WeakPolarHBondContact CD-O 3.24Å; K170-E191 WeakPolarHBondContact CE-O 3.24Å; K170-E191 WeakPolarHBondContact CE-OE2 3.43Å; K170-E191 HydrophobicContact CG-CB 4.25Å; K170-E191 WeakPolarHBondContact CG-OE2 3.49Å; K170-E191 PolarHBondContact N-OE1 3.2Å; K170-E191 PolarHBondContact N-OE2 2.78Å; K170-E191 PolarHBondContact NZ-O 3.3Å; K171-E191 PolarHBondContact N-OE2 2.94Å; D189-E191 HydrophobicContact CB-CB 4.1Å; D189-E191 HydrophobicContact CB-CG 3.81Å; D189-E191 PolarHBondContact O-N 3.06Å; D189-E191 VanDerWaalsContact O-N 3.14Å
192	W	45	Very low	40.9	Very low	187 Å²	187	98 Å²	98	71%	0.708	53%	0.534	S	S	*	.	S	Bend	trans	-137.2	27.2	171.9	55.3	-75.2	0	0	0	111.2	E169 F190	E169-W192 WeakPolarHBondContact OE1-CA 3.23Å; E169-W192 PolarHBondContact OE1-N 2.94Å; F190-W192 PolarHBondContact O-N 2.84Å
193	L	43	Very low	41.8	Very low	23 Å²	23	93.1 Å²	93.1	12%	0.12	51%	0.505	C	S	.	.			trans	-136.6	8.8	-175.9	-73.8	96.8	0	0	0	114.1	L168 E169 F190 N195 D196 A199	L168-L193 HydrophobicContact CD1-CB 4.17Å; E169-L193 PolarHBondContact OE1-N 3.26Å; E169-L193 PolarHBondContact OE2-N 3.35Å; F190-L193 WeakPolarHBondContact O-CD1 3.38Å; L193-N195 PolarHBondContact O-N 2.81Å; L193-D196 PolarHBondContact O-N 3.15Å; L193-D196 VanDerWaalsContact O-O 3.11Å; L193-A199 HydrophobicContact CD2-CB 3.71Å
194	K	45.6	Very low	42.9	Very low	88 Å²	88	93.2 Å²	93.2	38%	0.383	48%	0.484	S	S	.	.	S	Bend	trans	-58.3	-37.4	177.1	179.5	166.4	-87.6	150.4	0	112	D167 L168 E169 K798	D167-K194 WeakPolarHBondContact O-CA 3.45Å; D167-K194 WeakPolarHBondContact O-CG 3.39Å; L168-K194 HydrophobicContact CB-CB 4.06Å; L168-K194 WeakPolarHBondContact O-CE 3.37Å; L168-K194 PolarHBondContact O-NZ 2.87Å; E169-K194 HydrophobicContact CB-CB 3.75Å; E169-K194 HydrophobicContact CB-CD 3.99Å; E169-K194 HydrophobicContact CB-CG 4.45Å; E169-K194 HydrophobicContact CG-CB 3.95Å; E169-K194 PolarHBondContact O-NZ 2.77Å; E169-K194 WeakPolarHBondContact OE1-CB 3.45Å; E169-K194 PolarHBondContact OE1-N 3.46Å; E169-K194 WeakPolarHBondContact OE2-CB 3.48Å; E169-K194 PolarHBondContact OE2-N 2.89Å; K194-K798 PolarHBondContact O-NZ 3Å
195	N	43.1	Very low	43.3	Very low	144 Å²	144	88.8 Å²	88.8	77%	0.77	45%	0.453	S	S	*	.	S	Bend	trans	-82	-22.3	-170.7	-56.1	-47.4	0	0	0	112.6	E169 L193	E169-N195 PolarHBondContact OE2-ND2 2.86Å; L193-N195 PolarHBondContact O-N 2.81Å
196	D	50.3	Low	43.9	Very low	84 Å²	84	83 Å²	83	45%	0.449	42%	0.419	S	S	.	.			trans	-105.4	99.8	174.5	-171.4	-23.9	0	0	0	110	L193 E198 A199 Y200	L193-D196 PolarHBondContact O-N 3.15Å; L193-D196 VanDerWaalsContact O-O 3.11Å; D196-E198 PolarHBondContact O-N 2.84Å; D196-E198 WeakPolarHBondContact OD1-CA 3.08Å; D196-E198 PolarHBondContact OD1-N 2.93Å; D196-A199 HydrophobicContact CB-CB 3.86Å; D196-A199 VanDerWaalsContact CG-CB 3.44Å; D196-A199 PolarHBondContact OD1-N 3.03Å; D196-A199 WeakPolarHBondContact OD2-CB 3.43Å; D196-Y200 PolarHBondContact O-N 2.96Å
197	R	46.7	Very low	44.4	Very low	147 Å²	147	80.9 Å²	80.9	56%	0.555	41%	0.405	S	S	*	.	H	α-helix	trans	-60.7	-28	178.1	-171.5	176.3	-176.5	176.8	-3.3	112	L165 K201	L165-R197 PolarHBondContact O-NE 3.11Å; L165-R197 PolarHBondContact O-NH2 3.17Å; R197-K201 WeakPolarHBondContact O-CB 3.42Å; R197-K201 PolarHBondContact O-N 3.06Å
198	E	52.7	Low	44.9	Very low	119 Å²	119	81.7 Å²	81.7	56%	0.556	39%	0.392	S	S	*	.	H	α-helix	trans	-89.5	-35.8	-175.3	-55.1	-149.7	126.1	0	0	113	D196 K201 M202	D196-E198 PolarHBondContact O-N 2.84Å; D196-E198 WeakPolarHBondContact OD1-CA 3.08Å; D196-E198 PolarHBondContact OD1-N 2.93Å; E198-K201 HydrophobicContact CB-CD 4.17Å; E198-K201 HydrophobicContact CG-CD 4.24Å; E198-K201 WeakPolarHBondContact O-CB 3.4Å; E198-K201 IonicContact OE1-NZ 3.59Å; E198-K201 PolarHBondContact OE1-NZ 3.01Å; E198-M202 WeakPolarHBondContact O-CB 3.4Å; E198-M202 VanDerWaalsContact O-CG 3.26Å; E198-M202 WeakPolarHBondContact O-CG 3.24Å; E198-M202 PolarHBondContact O-N 2.85Å
199	A	48	Very low	45.2	Very low	37 Å²	37	82.9 Å²	82.9	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-44.4	173.9	0	0	0	0	0	112.2	L193 D196 M202 A203	L193-A199 HydrophobicContact CD2-CB 3.71Å; D196-A199 HydrophobicContact CB-CB 3.86Å; D196-A199 VanDerWaalsContact CG-CB 3.44Å; D196-A199 PolarHBondContact OD1-N 3.03Å; D196-A199 WeakPolarHBondContact OD2-CB 3.43Å; A199-M202 PolarHBondContact O-N 3.2Å; A199-A203 PolarHBondContact O-N 2.87Å
200	Y	53.6	Low	45.1	Very low	49 Å²	49	79.6 Å²	79.6	19%	0.192	37%	0.371	C	S	.	.	H	α-helix	trans	-66.8	-46	174.7	167.7	-106.9	0	0	0	112.2	L165 S166 D167 L168 D196 M202 A203 W204	L165-Y200 HydrophobicContact CB-CD1 4.46Å; L165-Y200 HydrophobicContact CB-CE1 3.94Å; S166-Y200 VanDerWaalsContact N-CD1 3.27Å; S166-Y200 WeakPolarHBondContact O-CD1 3.4Å; S166-Y200 WeakPolarHBondContact OG-CE1 3.43Å; D167-Y200 VanDerWaalsContact CB-CB 3.43Å; D167-Y200 HydrophobicContact CB-CD1 2.68Å; D167-Y200 HydrophobicContact CB-CD2 3.17Å; D167-Y200 HydrophobicContact CB-CE1 3.35Å; D167-Y200 HydrophobicContact CB-CE2 3.78Å; D167-Y200 HydrophobicContact CB-CG 2.58Å; D167-Y200 VanDerWaalsContact N-CE1 3.31Å; D167-Y200 WeakPolarHBondContact OD1-CD1 3.27Å; D167-Y200 WeakPolarHBondContact OD1-CD2 3.4Å; D167-Y200 WeakPolarHBondContact OD1-CE1 3.46Å; D167-Y200 WeakPolarHBondContact OD1-CE2 3.31Å; D167-Y200 PolarHBondContact OD1-OH 3.43Å; D167-Y200 WeakPolarHBondContact OD2-CD1 3.35Å; D167-Y200 WeakPolarHBondContact OD2-CD2 3.23Å; D167-Y200 WeakPolarHBondContact OD2-CE1 3.37Å; D167-Y200 WeakPolarHBondContact OD2-CE2 3.27Å; D167-Y200 PolarHBondContact OD2-OH 3.05Å; L168-Y200 HydrophobicContact CD1-CD2 3.19Å; L168-Y200 HydrophobicContact CD1-CE2 4.08Å; L168-Y200 HydrophobicContact CD1-CG 4.33Å; L168-Y200 HydrophobicContact CG-CD2 3.99Å; L168-Y200 HydrophobicContact CG-CE2 4.38Å; D196-Y200 PolarHBondContact O-N 2.96Å; Y200-M202 PolarHBondContact O-N 2.94Å; Y200-M202 VanDerWaalsContact O-N 3.15Å; Y200-A203 CarbonylContact O-C 3.59Å; Y200-A203 WeakPolarHBondContact O-CA 3.37Å; Y200-A203 WeakPolarHBondContact O-CB 3.31Å; Y200-A203 PolarHBondContact O-N 3.03Å; Y200-W204 HydrophobicContact CE2-CB 4.42Å; Y200-W204 AromaticContact CZ-CD1 3.35Å; Y200-W204 PolarHBondContact O-N 3.41Å; Y200-W204 VanDerWaalsContact OH-CD1 3.23Å; Y200-W204 PolarHBondContact OH-NE1 2.94Å
201	K	47.3	Very low	44.8	Very low	14 Å²	14	79.8 Å²	79.8	6%	0.061	38%	0.379	C	S	.	.	H	α-helix	trans	-43	-47.6	169.6	155	-169.8	-166.9	176.4	0	112.1	D163 I164 R197 E198 L205	D163-K201 VanDerWaalsContact O-CE 3.22Å; D163-K201 WeakPolarHBondContact O-CE 3.17Å; D163-K201 PolarHBondContact O-NZ 2.62Å; D163-K201 WeakPolarHBondContact OD1-CE 3.44Å; D163-K201 IonicContact OD1-NZ 2.89Å; D163-K201 WeakPolarHBondContact OD2-CE 3.3Å; D163-K201 IonicContact OD2-NZ 2.94Å; D163-K201 PolarHBondContact OD2-NZ 2.86Å; I164-K201 HydrophobicContact CB-CG 3.9Å; I164-K201 HydrophobicContact CG2-CB 4.03Å; I164-K201 HydrophobicContact CG2-CG 3.8Å; I164-K201 WeakPolarHBondContact O-CB 3.4Å; I164-K201 WeakPolarHBondContact O-CD 3.33Å; I164-K201 VanDerWaalsContact O-CG 3.23Å; I164-K201 WeakPolarHBondContact O-CG 3.12Å; R197-K201 WeakPolarHBondContact O-CB 3.42Å; R197-K201 PolarHBondContact O-N 3.06Å; E198-K201 HydrophobicContact CB-CD 4.17Å; E198-K201 HydrophobicContact CG-CD 4.24Å; E198-K201 WeakPolarHBondContact O-CB 3.4Å; E198-K201 IonicContact OE1-NZ 3.59Å; E198-K201 PolarHBondContact OE1-NZ 3.01Å; K201-L205 VanDerWaalsContact O-CB 3.29Å; K201-L205 WeakPolarHBondContact O-CB 3.36Å; K201-L205 PolarHBondContact O-N 3.32Å
202	M	48.8	Very low	44.1	Very low	82 Å²	82	86 Å²	86	40%	0.404	40%	0.401	S	S	.	.	H	α-helix	trans	-74.4	-34	177.8	-67.9	-63.3	-77.7	0	0	113.3	E198 A199 Y200 L205 S206 N433	E198-M202 WeakPolarHBondContact O-CB 3.4Å; E198-M202 VanDerWaalsContact O-CG 3.26Å; E198-M202 WeakPolarHBondContact O-CG 3.24Å; E198-M202 PolarHBondContact O-N 2.85Å; A199-M202 PolarHBondContact O-N 3.2Å; Y200-M202 PolarHBondContact O-N 2.94Å; Y200-M202 VanDerWaalsContact O-N 3.15Å; M202-L205 HydrophobicContact SD-CD1 4.22Å; M202-S206 WeakPolarHBondContact O-CB 3.19Å; M202-S206 PolarHBondContact O-N 2.82Å; M202-N433 VanDerWaalsContact CE-ND2 3.33Å; M202-N433 WeakPolarHBondContact CE-ND2 3.26Å
203	A	47.9	Very low	43.5	Very low	32 Å²	32	79.3 Å²	79.3	26%	0.264	38%	0.383	S	S	.	.	H	α-helix	trans	-64.8	-44.3	172.1	0	0	0	0	0	112.4	A199 Y200 S206 H207	A199-A203 PolarHBondContact O-N 2.87Å; Y200-A203 CarbonylContact O-C 3.59Å; Y200-A203 WeakPolarHBondContact O-CA 3.37Å; Y200-A203 WeakPolarHBondContact O-CB 3.31Å; Y200-A203 PolarHBondContact O-N 3.03Å; A203-S206 PolarHBondContact O-N 2.93Å; A203-H207 WeakPolarHBondContact O-CB 3.33Å; A203-H207 PolarHBondContact O-N 2.93Å
204	W	50	Low	43.4	Very low	68 Å²	68	82.7 Å²	82.7	26%	0.258	41%	0.408	S	S	.	.	H	α-helix	trans	-68.3	-42.9	176.1	-169.4	98	0	0	0	112.1	I164 L165 Y200 S206 H207 R208	I164-W204 HydrophobicContact CG2-CE3 4.19Å; L165-W204 HydrophobicContact CD1-CD2 3.45Å; L165-W204 VanDerWaalsContact CD1-CD2 3.45Å; L165-W204 HydrophobicContact CD1-CE3 3.59Å; L165-W204 HydrophobicContact CD1-CG 4.1Å; L165-W204 HydrophobicContact CD1-CH2 3.54Å; L165-W204 HydrophobicContact CD1-CZ2 3.44Å; L165-W204 VanDerWaalsContact CD1-CZ2 3.44Å; L165-W204 HydrophobicContact CD1-CZ3 3.63Å; Y200-W204 HydrophobicContact CE2-CB 4.42Å; Y200-W204 AromaticContact CZ-CD1 3.35Å; Y200-W204 PolarHBondContact O-N 3.41Å; Y200-W204 VanDerWaalsContact OH-CD1 3.23Å; Y200-W204 PolarHBondContact OH-NE1 2.94Å; W204-S206 VanDerWaalsContact C-N 3.35Å; W204-H207 PolarHBondContact O-N 3.4Å; W204-R208 HydrophobicContact CE3-CB 4.4Å; W204-R208 HydrophobicContact CZ3-CB 4.47Å; W204-R208 VanDerWaalsContact O-CB 3.31Å; W204-R208 WeakPolarHBondContact O-CB 3.41Å; W204-R208 PolarHBondContact O-N 2.75Å
205	L	42	Very low	42.9	Very low	39 Å²	39	85.6 Å²	85.6	20%	0.204	43%	0.427	C	S	.	.	H	α-helix	trans	-59.6	-46.2	171.9	-101.5	173.9	0	0	0	111.4	I164 K201 M202 R208 Q209	I164-L205 HydrophobicContact CB-CD1 4.24Å; I164-L205 HydrophobicContact CB-CG 4.34Å; I164-L205 HydrophobicContact CD1-CD1 3.87Å; I164-L205 HydrophobicContact CD1-CD2 4.15Å; I164-L205 HydrophobicContact CD1-CG 4.16Å; I164-L205 HydrophobicContact CG1-CD1 3.95Å; I164-L205 HydrophobicContact CG1-CD2 4.13Å; I164-L205 HydrophobicContact CG1-CG 3.85Å; I164-L205 HydrophobicContact CG2-CD1 4.44Å; I164-L205 HydrophobicContact CG2-CG 4.16Å; K201-L205 VanDerWaalsContact O-CB 3.29Å; K201-L205 WeakPolarHBondContact O-CB 3.36Å; K201-L205 PolarHBondContact O-N 3.32Å; M202-L205 HydrophobicContact SD-CD1 4.22Å; L205-R208 CarbonylContact O-C 3.52Å; L205-R208 PolarHBondContact O-N 2.67Å; L205-Q209 VanDerWaalsContact O-CB 3.28Å; L205-Q209 WeakPolarHBondContact O-CB 3.43Å; L205-Q209 WeakPolarHBondContact O-CG 3.34Å; L205-Q209 PolarHBondContact O-N 3.47Å
206	S	40.4	Very low	42.5	Very low	26 Å²	26	82.8 Å²	82.8	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-57.6	-58.1	176.3	-170.2	0	0	0	0	109	M202 A203 W204 R208 Q209 L210	M202-S206 WeakPolarHBondContact O-CB 3.19Å; M202-S206 PolarHBondContact O-N 2.82Å; A203-S206 PolarHBondContact O-N 2.93Å; W204-S206 VanDerWaalsContact C-N 3.35Å; S206-R208 PolarHBondContact O-N 2.83Å; S206-Q209 PolarHBondContact O-N 2.8Å; S206-L210 WeakPolarHBondContact O-CB 3.4Å; S206-L210 VanDerWaalsContact O-CD1 3.27Å; S206-L210 WeakPolarHBondContact O-CD1 3.31Å; S206-L210 WeakPolarHBondContact O-CG 3.38Å; S206-L210 PolarHBondContact O-N 3Å; S206-L210 WeakPolarHBondContact OG-CD1 3.14Å
207	H	41.8	Very low	41.9	Very low	119 Å²	119	85.3 Å²	85.3	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-50.5	-39.8	178.5	-170.6	75	0	0	0	113.5	A203 W204 T211	A203-H207 WeakPolarHBondContact O-CB 3.33Å; A203-H207 PolarHBondContact O-N 2.93Å; W204-H207 PolarHBondContact O-N 3.4Å; H207-T211 PolarHBondContact O-N 3.26Å; H207-T211 PolarHBondContact O-OG1 2.85Å
208	R	40.8	Very low	41.3	Very low	119 Å²	119	84.8 Å²	84.8	45%	0.449	43%	0.433	S	S	.	.	H	α-helix	trans	-82	-28.7	178.8	-166.3	174	-179.4	123.6	-0.4	114.8	W204 L205 S206 L210 T211 R212	W204-R208 HydrophobicContact CE3-CB 4.4Å; W204-R208 HydrophobicContact CZ3-CB 4.47Å; W204-R208 VanDerWaalsContact O-CB 3.31Å; W204-R208 WeakPolarHBondContact O-CB 3.41Å; W204-R208 PolarHBondContact O-N 2.75Å; L205-R208 CarbonylContact O-C 3.52Å; L205-R208 PolarHBondContact O-N 2.67Å; S206-R208 PolarHBondContact O-N 2.83Å; R208-L210 VanDerWaalsContact C-N 3.32Å; R208-T211 WeakPolarHBondContact CA-OG1 3.47Å; R208-T211 PolarHBondContact O-OG1 2.8Å; R208-R212 WeakPolarHBondContact O-CB 3.49Å; R208-R212 WeakPolarHBondContact O-CG 3.49Å; R208-R212 PolarHBondContact O-N 3.39Å
209	Q	36.6	Very low	40.4	Very low	128 Å²	128	82.6 Å²	82.6	60%	0.598	43%	0.428	S	S	*	.	H	α-helix	trans	-69.8	-34.4	169	-82.2	-175.3	-33.1	0	0	110.3	L205 S206 R212 S213	L205-Q209 VanDerWaalsContact O-CB 3.28Å; L205-Q209 WeakPolarHBondContact O-CB 3.43Å; L205-Q209 WeakPolarHBondContact O-CG 3.34Å; L205-Q209 PolarHBondContact O-N 3.47Å; S206-Q209 PolarHBondContact O-N 2.8Å; Q209-R212 CarbonylContact O-C 3.56Å; Q209-R212 PolarHBondContact O-N 2.88Å; Q209-R212 VanDerWaalsContact O-N 3.11Å; Q209-S213 WeakPolarHBondContact O-CB 3.49Å; Q209-S213 PolarHBondContact O-N 2.94Å
210	L	35.4	Very low	39.6	Very low	42 Å²	42	85.4 Å²	85.4	22%	0.22	44%	0.435	C	S	.	.	H	α-helix	trans	-75.1	-36	-177.4	-64.4	163.8	0	0	0	112.3	S206 R208 R212 W226	S206-L210 WeakPolarHBondContact O-CB 3.4Å; S206-L210 VanDerWaalsContact O-CD1 3.27Å; S206-L210 WeakPolarHBondContact O-CD1 3.31Å; S206-L210 WeakPolarHBondContact O-CG 3.38Å; S206-L210 PolarHBondContact O-N 3Å; S206-L210 WeakPolarHBondContact OG-CD1 3.14Å; R208-L210 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.07Å; L210-W226 HydrophobicContact CB-CZ3 4.39Å; L210-W226 HydrophobicContact CD1-CE3 4.33Å; L210-W226 HydrophobicContact CD1-CH2 3.28Å; L210-W226 HydrophobicContact CD1-CZ2 4.27Å; L210-W226 HydrophobicContact CD1-CZ3 3.37Å; L210-W226 HydrophobicContact CD2-CD2 3.91Å; L210-W226 HydrophobicContact CD2-CE3 3.82Å; L210-W226 HydrophobicContact CD2-CH2 3.18Å; L210-W226 HydrophobicContact CD2-CZ2 3.31Å; L210-W226 HydrophobicContact CD2-CZ3 3.51Å; L210-W226 HydrophobicContact CG-CE3 4.45Å; L210-W226 HydrophobicContact CG-CH2 3.79Å; L210-W226 HydrophobicContact CG-CZ2 4.38Å; L210-W226 HydrophobicContact CG-CZ3 3.89Å
211	T	34.4	Very low	38.6	Very low	95 Å²	95	86 Å²	86	58%	0.583	45%	0.446	S	S	*	.	H	α-helix	trans	-69.4	-16.1	166.2	29.1	0	0	0	0	113.8	H207 R208	H207-T211 PolarHBondContact O-N 3.26Å; H207-T211 PolarHBondContact O-OG1 2.85Å; R208-T211 WeakPolarHBondContact CA-OG1 3.47Å; R208-T211 PolarHBondContact O-OG1 2.8Å
212	R	33.1	Very low	38.2	Very low	163 Å²	163	93.1 Å²	93.1	62%	0.615	48%	0.48	S	S	*	.	H	α-helix	trans	-99.9	-22.7	176.2	-75.9	-178.6	162	-159.8	-9.8	114.4	R208 Q209 L210 C214 L215	R208-R212 WeakPolarHBondContact O-CB 3.49Å; R208-R212 WeakPolarHBondContact O-CG 3.49Å; R208-R212 PolarHBondContact O-N 3.39Å; Q209-R212 CarbonylContact O-C 3.56Å; Q209-R212 PolarHBondContact O-N 2.88Å; Q209-R212 VanDerWaalsContact O-N 3.11Å; L210-R212 PolarHBondContact O-N 3.07Å; R212-C214 PolarHBondContact O-N 3.03Å; R212-C214 VanDerWaalsContact O-N 3.16Å; R212-L215 PolarHBondContact O-N 2.91Å; R212-L215 VanDerWaalsContact O-N 3.1Å
213	S	33	Very low	37.5	Very low	47 Å²	47	91.7 Å²	91.7	33%	0.329	48%	0.478	S	S	.	.	H	α-helix	trans	-61	-22.5	176.9	-170.2	0	0	0	0	112.5	Q209 L215	Q209-S213 WeakPolarHBondContact O-CB 3.49Å; Q209-S213 PolarHBondContact O-N 2.94Å; S213-L215 PolarHBondContact O-N 2.79Å
214	C	40.4	Very low	36.8	Very low	95 Å²	95	92.9 Å²	92.9	64%	0.642	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.8	175.4	-55.4	0	0	0	0	114.9	R212	R212-C214 PolarHBondContact O-N 3.03Å; R212-C214 VanDerWaalsContact O-N 3.16Å
215	L	35.6	Very low	36.1	Very low	149 Å²	149	90.7 Å²	90.7	78%	0.78	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-12.2	-178.9	-70.7	168.4	0	0	0	114.4	R212 S213	R212-L215 PolarHBondContact O-N 2.91Å; R212-L215 VanDerWaalsContact O-N 3.1Å; S213-L215 PolarHBondContact O-N 2.79Å
216	D	33.9	Very low	35.8	Very low	84 Å²	84	94.6 Å²	94.6	45%	0.449	49%	0.494	S	S	.	.			trans	-108.7	85.1	-177.6	-161.9	-26.9	0	0	0	111.8	N218 V219 M220	D216-N218 PolarHBondContact O-N 2.82Å; D216-N218 VanDerWaalsContact O-N 3.09Å; D216-N218 PolarHBondContact OD1-N 2.94Å; D216-V219 HydrophobicContact CB-CB 4.44Å; D216-V219 HydrophobicContact CB-CG2 4.25Å; D216-V219 PolarHBondContact O-N 3.24Å; D216-V219 VanDerWaalsContact O-N 3.08Å; D216-M220 PolarHBondContact O-N 2.86Å
217	L	37.1	Very low	35.3	Very low	137 Å²	137	96.8 Å²	96.8	72%	0.717	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21	-172.9	-77.1	160.8	0	0	0	114.4	M220	L217-M220 HydrophobicContact CD2-SD 3.8Å; L217-M220 HydrophobicContact CG-SD 4.41Å
218	N	35	Very low	34.9	Very low	136 Å²	136	95.4 Å²	95.4	73%	0.727	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-39.4	175.8	-80.1	-32.9	0	0	0	111.6	D216 M220 S221	D216-N218 PolarHBondContact O-N 2.82Å; D216-N218 VanDerWaalsContact O-N 3.09Å; D216-N218 PolarHBondContact OD1-N 2.94Å; N218-M220 VanDerWaalsContact C-N 3.34Å; N218-S221 WeakPolarHBondContact O-CB 3.15Å; N218-S221 PolarHBondContact O-N 2.85Å; N218-S221 PolarHBondContact O-OG 2.85Å
219	V	33.8	Very low	34.5	Very low	74 Å²	74	95.9 Å²	95.9	45%	0.448	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-72.1	-29.5	178.2	-174.6	0	0	0	0	111.7	D216 S221 Q222 S223	D216-V219 HydrophobicContact CB-CB 4.44Å; D216-V219 HydrophobicContact CB-CG2 4.25Å; D216-V219 PolarHBondContact O-N 3.24Å; D216-V219 VanDerWaalsContact O-N 3.08Å; V219-S221 PolarHBondContact O-N 3.14Å; V219-S221 VanDerWaalsContact O-N 3.11Å; V219-Q222 PolarHBondContact O-N 2.81Å; V219-S223 PolarHBondContact O-OG 3.05Å
220	M	30.9	Very low	34.4	Very low	95 Å²	95	94.8 Å²	94.8	47%	0.468	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-56.6	-24.8	171.6	-69.1	-180	65.8	0	0	113.2	D216 L217 N218 Q222 S223	D216-M220 PolarHBondContact O-N 2.86Å; L217-M220 HydrophobicContact CD2-SD 3.8Å; L217-M220 HydrophobicContact CG-SD 4.41Å; N218-M220 VanDerWaalsContact C-N 3.34Å; M220-Q222 PolarHBondContact O-N 2.76Å; M220-S223 PolarHBondContact O-N 2.86Å
221	S	33.3	Very low	34.3	Very low	61 Å²	61	97.3 Å²	97.3	43%	0.427	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-72.5	-8.7	-179.2	74.4	0	0	0	0	115.3	N218 V219	N218-S221 WeakPolarHBondContact O-CB 3.15Å; N218-S221 PolarHBondContact O-N 2.85Å; N218-S221 PolarHBondContact O-OG 2.85Å; V219-S221 PolarHBondContact O-N 3.14Å; V219-S221 VanDerWaalsContact O-N 3.11Å
222	Q	37.7	Very low	34.6	Very low	164 Å²	164	94.1 Å²	94.1	77%	0.766	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-119.3	2.6	179.5	-58.9	-174.3	2	0	0	113.5	V219 M220 P224	V219-Q222 PolarHBondContact O-N 2.81Å; M220-Q222 PolarHBondContact O-N 2.76Å; Q222-P224 WeakPolarHBondContact O-CD 3.43Å
223	S	33.7	Very low	35.1	Very low	53 Å²	53	91.7 Å²	91.7	37%	0.371	52%	0.522	S	S	.	.			trans	-117.6	97.8	-165.3	-56.9	0	0	0	0	111.7	V219 M220 G225	V219-S223 PolarHBondContact O-OG 3.05Å; M220-S223 PolarHBondContact O-N 2.86Å; S223-G225 PolarHBondContact O-N 2.88Å; S223-G225 VanDerWaalsContact O-N 3.14Å
224	P	34.7	Very low	36.7	Very low	56 Å²	56	91.4 Å²	91.4	36%	0.364	52%	0.515	S	S	.	.			trans	-78.1	101.2	-174	30.3	-34.6	0	0	0	112.9	Q222	Q222-P224 WeakPolarHBondContact O-CD 3.43Å
225	G	35	Very low	38.3	Very low	23 Å²	23	90.7 Å²	90.7	24%	0.237	50%	0.502	C	S	.	.			trans	80.6	111	156	0	0	0	0	0	117.3	S223	S223-G225 PolarHBondContact O-N 2.88Å; S223-G225 VanDerWaalsContact O-N 3.14Å
226	W	34.2	Very low	40.5	Very low	120 Å²	120	85 Å²	85	46%	0.455	47%	0.474	S	S	.	.			trans	-143.7	137.9	168.6	-80.9	82.7	0	0	0	108.3	L210 L434 P435	L210-W226 HydrophobicContact CB-CZ3 4.39Å; L210-W226 HydrophobicContact CD1-CE3 4.33Å; L210-W226 HydrophobicContact CD1-CH2 3.28Å; L210-W226 HydrophobicContact CD1-CZ2 4.27Å; L210-W226 HydrophobicContact CD1-CZ3 3.37Å; L210-W226 HydrophobicContact CD2-CD2 3.91Å; L210-W226 HydrophobicContact CD2-CE3 3.82Å; L210-W226 HydrophobicContact CD2-CH2 3.18Å; L210-W226 HydrophobicContact CD2-CZ2 3.31Å; L210-W226 HydrophobicContact CD2-CZ3 3.51Å; L210-W226 HydrophobicContact CG-CE3 4.45Å; L210-W226 HydrophobicContact CG-CH2 3.79Å; L210-W226 HydrophobicContact CG-CZ2 4.38Å; L210-W226 HydrophobicContact CG-CZ3 3.89Å; W226-L434 HydrophobicContact CZ2-CD2 4.15Å; W226-P435 VanDerWaalsContact CH2-CD 3.49Å; W226-P435 HydrophobicContact CH2-CG 3.29Å; W226-P435 HydrophobicContact CZ2-CG 4.1Å; W226-P435 HydrophobicContact CZ3-CG 4.04Å
227	A	31.7	Very low	43	Very low	73 Å²	73	85.4 Å²	85.4	60%	0.603	48%	0.475	S	S	*	.			cis	-150.4	152	0	0	0	0	0	0	111.3
228	Q	32.5	Very low	45.3	Very low	89 Å²	89	80.8 Å²	80.8	42%	0.416	45%	0.454	S	S	.	.			trans	-144.6	76.6	161.7	-166.2	173.5	-7.9	0	0	110.9	Q230	Q228-Q230 PolarHBondContact O-N 2.86Å
229	T	33	Very low	47.9	Very low	129 Å²	129	77.9 Å²	77.9	79%	0.791	44%	0.435	S	S	*	.			trans	-74.7	82.1	177.4	48.1	0	0	0	0	111.9
230	Q	34.1	Very low	50.6	Low	105 Å²	105	74.9 Å²	74.9	49%	0.491	42%	0.416	S	S	.	.			trans	-101.6	137.6	152.7	-73.1	-177.3	-24.4	0	0	108.3	Q228 T232	Q228-Q230 PolarHBondContact O-N 2.86Å; Q230-T232 HydrophobicContact CB-CG2 3.9Å; Q230-T232 PolarHBondContact O-N 3.03Å
231	A	32.3	Very low	53.2	Low	95 Å²	95	71.4 Å²	71.4	79%	0.785	40%	0.399	S	S	*	.			trans	-75	86.8	178	0	0	0	0	0	110.6	H233	A231-H233 PolarHBondContact O-N 3.06Å
232	T	40.8	Very low	55.8	Low	29 Å²	29	72.4 Å²	72.4	18%	0.178	40%	0.397	C	S	.	.			trans	-100.9	72.8	-171.3	59.8	0	0	0	0	111.6	Q230 K421 V438	Q230-T232 HydrophobicContact CB-CG2 3.9Å; Q230-T232 PolarHBondContact O-N 3.03Å; T232-K421 HydrophobicContact CG2-CB 4.27Å; T232-K421 HydrophobicContact CG2-CD 3.44Å; T232-K421 VanDerWaalsContact CG2-CD 3.44Å; T232-V438 WeakPolarHBondContact OG1-CG1 3.49Å
233	H	45.4	Very low	58.2	Low	111 Å²	111	67.7 Å²	67.7	51%	0.514	38%	0.382	S	S	.	.			trans	-81.8	149.2	154.9	-65	-44.8	0	0	0	109.3	A231 Q235 K274	A231-H233 PolarHBondContact O-N 3.06Å; H233-Q235 HydrophobicContact CB-CB 4.21Å; H233-Q235 HydrophobicContact CB-CG 4.02Å; H233-Q235 PolarHBondContact O-N 3.34Å; H233-K274 HydrophobicContact CB-CD 4.5Å
234	F	64.7	Low	60.7	Low	42 Å²	42	65.8 Å²	65.8	18%	0.184	37%	0.371	C	S	.	.	S	Bend	trans	-77.9	71.2	174.4	-157.4	-102.8	0	0	0	108.7	L249 P250 K274 A275 P419	F234-L249 HydrophobicContact CD1-CD2 4.15Å; F234-L249 HydrophobicContact CE1-CB 4.25Å; F234-L249 VanDerWaalsContact O-CD2 3.32Å; F234-L249 WeakPolarHBondContact O-CD2 3.22Å; F234-P250 WeakPolarHBondContact CZ-O 3.49Å; F234-K274 WeakPolarHBondContact O-CA 3.36Å; F234-A275 HydrophobicContact CD1-CB 3.99Å; F234-A275 PolarHBondContact O-N 3.09Å; F234-P419 HydrophobicContact CB-CB 4.43Å; F234-P419 HydrophobicContact CD2-CB 3.48Å; F234-P419 VanDerWaalsContact CD2-CB 3.48Å; F234-P419 HydrophobicContact CE2-CB 3.95Å; F234-P419 HydrophobicContact CG-CB 4.19Å
235	Q	74.1	Confident	63.3	Low	79 Å²	79	64.5 Å²	64.5	37%	0.369	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.2	-169	75.3	-175.4	16.1	0	0	111.8	H233 L273 K274	H233-Q235 HydrophobicContact CB-CB 4.21Å; H233-Q235 HydrophobicContact CB-CG 4.02Å; H233-Q235 PolarHBondContact O-N 3.34Å; Q235-L273 CarbonylContact C-O 3.58Å; Q235-L273 WeakPolarHBondContact CA-O 3.22Å; Q235-K274 HydrophobicContact CB-CB 3.86Å; Q235-K274 HydrophobicContact CB-CD 4.33Å; Q235-K274 HydrophobicContact CB-CG 4.1Å
236	V	83.3	Confident	65.9	Low	31 Å²	31	67 Å²	67	19%	0.188	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139	172.6	59.1	0	0	0	0	109	V247 L249 T272 L273	V236-V247 HydrophobicContact CB-CG1 4.41Å; V236-V247 HydrophobicContact CG1-CG1 3.68Å; V236-V247 HydrophobicContact CG2-CG1 3.84Å; V236-L249 HydrophobicContact CB-CD2 4.47Å; V236-L249 HydrophobicContact CG1-CD2 3.83Å; V236-L249 HydrophobicContact CG1-CG 4.09Å; V236-T272 WeakPolarHBondContact O-CA 3.49Å; V236-L273 HydrophobicContact CG1-CB 3.83Å; V236-L273 HydrophobicContact CG1-CD1 4.45Å; V236-L273 HydrophobicContact CG1-CG 4.46Å; V236-L273 PolarHBondContact N-O 3.41Å; V236-L273 PolarHBondContact O-N 2.86Å
237	I	86.3	Confident	68.6	Low	92 Å²	92	61.6 Å²	61.6	47%	0.472	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.1	175.7	-53.9	175.1	0	0	0	106.6	E270 V271 T272	I237-E270 HydrophobicContact CG2-CG 3.99Å; I237-V271 WeakPolarHBondContact CA-O 3.04Å; I237-T272 HydrophobicContact CG1-CG2 3.97Å
238	S	85.7	Confident	71.3	Confident	39 Å²	39	63.6 Å²	63.6	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	161.5	176.8	-172.5	0	0	0	0	110.7	E270 V271	S238-E270 CarbonylContact O-C 3.57Å; S238-E270 WeakPolarHBondContact O-CA 3.44Å; S238-V271 PolarHBondContact N-O 3.46Å; S238-V271 PolarHBondContact O-N 2.8Å
239	K	89.7	Confident	73.7	Confident	75 Å²	75	59.4 Å²	59.4	33%	0.326	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	102.4	-173.8	-72.5	167.6	170.3	171.4	0	109.1	F175 V268 Q269 E270	F175-K239 HydrophobicContact CD2-CD 4.38Å; F175-K239 HydrophobicContact CE2-CB 3.72Å; F175-K239 HydrophobicContact CE2-CD 3.63Å; F175-K239 HydrophobicContact CE2-CG 4.04Å; F175-K239 HydrophobicContact CZ-CB 3.58Å; F175-K239 HydrophobicContact CZ-CD 4.1Å; F175-K239 HydrophobicContact CZ-CG 4.34Å; K239-V268 HydrophobicContact CB-CG1 3.99Å; K239-Q269 WeakPolarHBondContact CA-O 3.5Å; K239-E270 WeakPolarHBondContact CE-OE1 3.49Å; K239-E270 WeakPolarHBondContact CE-OE2 3.5Å; K239-E270 HydrophobicContact CG-CB 3.97Å; K239-E270 HydrophobicContact CG-CG 3.85Å; K239-E270 IonicContact NZ-OE1 3.4Å; K239-E270 PolarHBondContact NZ-OE1 2.95Å; K239-E270 VanDerWaalsContact NZ-OE1 3.15Å; K239-E270 IonicContact NZ-OE2 2.65Å
240	I	88.8	Confident	75.7	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.056	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.7	-174.2	-69	167.7	0	0	0	108.9	G244 V247 V258 V268 Q269	I240-G244 VanDerWaalsContact CG2-C 3.44Å; I240-V247 HydrophobicContact CD1-CG2 3.58Å; I240-V258 HydrophobicContact CD1-CB 4.07Å; I240-V258 HydrophobicContact CD1-CG2 3.53Å; I240-V258 HydrophobicContact CG2-CB 4.04Å; I240-V258 HydrophobicContact CG2-CG1 3.94Å; I240-V258 HydrophobicContact CG2-CG2 4.42Å; I240-V268 CarbonylContact O-C 3.55Å; I240-V268 VanDerWaalsContact O-CG1 3.31Å; I240-V268 WeakPolarHBondContact O-CG1 3.31Å; I240-Q269 PolarHBondContact N-O 2.79Å; I240-Q269 PolarHBondContact O-N 3.32Å
241	D	87.1	Confident	77.5	Confident	22 Å²	22	58.8 Å²	58.8	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-173.7	174.8	75.7	57.7	0	0	0	111.4	R176 S243 G244 V268	R176-D241 IonicContact CZ-OD2 3.36Å; R176-D241 VanDerWaalsContact CZ-OD2 3.29Å; R176-D241 IonicContact NH1-OD2 3.43Å; R176-D241 PolarHBondContact NH1-OD2 2.89Å; R176-D241 IonicContact NH2-OD2 3.7Å; R176-D241 PolarHBondContact NH2-OD2 2.94Å; D241-S243 PolarHBondContact O-N 2.83Å; D241-S243 PolarHBondContact OD1-N 2.85Å; D241-S243 VanDerWaalsContact OD1-N 3.07Å; D241-S243 PolarHBondContact OD1-OG 2.99Å; D241-G244 PolarHBondContact O-N 3.44Å; D241-V268 HydrophobicContact CB-CG1 4.45Å; D241-V268 HydrophobicContact CB-CG2 4.15Å
242	H	87.9	Confident	79.6	Confident	82 Å²	82	54.7 Å²	54.7	38%	0.38	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-17.2	-177.8	76.4	-41.2	0	0	0	115.9	G244 G261 V263	H242-G244 PolarHBondContact O-N 2.91Å; H242-G261 PolarHBondContact O-N 2.85Å; H242-V263 WeakPolarHBondContact CB-O 3.49Å
243	S	87.1	Confident	81.6	Confident	66 Å²	66	59.6 Å²	59.6	46%	0.462	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.3	174.2	66.5	0	0	0	0	113.8	D241 Q260	D241-S243 PolarHBondContact O-N 2.83Å; D241-S243 PolarHBondContact OD1-N 2.85Å; D241-S243 VanDerWaalsContact OD1-N 3.07Å; D241-S243 PolarHBondContact OD1-OG 2.99Å; S243-Q260 WeakPolarHBondContact O-CB 3.37Å
244	G	86.9	Confident	83.7	Confident	13 Å²	13	54.7 Å²	54.7	13%	0.134	30%	0.296	C	S	.	.			trans	74.4	-174.3	-167	0	0	0	0	0	112.2	I240 D241 H242 V258	I240-G244 VanDerWaalsContact CG2-C 3.44Å; D241-G244 PolarHBondContact O-N 3.44Å; H242-G244 PolarHBondContact O-N 2.91Å; G244-V258 CarbonylContact C-O 3.57Å; G244-V258 VanDerWaalsContact CA-O 3.26Å; G244-V258 WeakPolarHBondContact CA-O 3.35Å
245	G	89.1	Confident	84.9	Confident	28 Å²	28	54 Å²	54	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-173.3	-178.4	0	0	0	0	0	112.6	V258	G245-V258 PolarHBondContact N-O 3.46Å; G245-V258 PolarHBondContact O-N 3.17Å
246	S	89.4	Confident	85.8	Confident	77 Å²	77	50.2 Å²	50.2	54%	0.538	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.6	177.5	61.6	0	0	0	0	112.9	I256	S246-I256 CarbonylContact C-O 3.5Å; S246-I256 VanDerWaalsContact CA-O 3.24Å; S246-I256 WeakPolarHBondContact CA-O 3.25Å
247	V	90.1	Very high	86.2	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119	172.7	-163.1	0	0	0	0	108.1	V236 I240 S255 I256 V271 L273	V236-V247 HydrophobicContact CB-CG1 4.41Å; V236-V247 HydrophobicContact CG1-CG1 3.68Å; V236-V247 HydrophobicContact CG2-CG1 3.84Å; I240-V247 HydrophobicContact CD1-CG2 3.58Å; V247-S255 CarbonylContact O-C 3.56Å; V247-S255 VanDerWaalsContact O-CA 3.25Å; V247-S255 WeakPolarHBondContact O-CA 3.37Å; V247-I256 HydrophobicContact CB-CG2 3.98Å; V247-I256 HydrophobicContact CG2-CG2 4.19Å; V247-I256 PolarHBondContact N-O 2.92Å; V247-I256 PolarHBondContact O-N 2.99Å; V247-V271 HydrophobicContact CG2-CB 4.26Å; V247-V271 HydrophobicContact CG2-CG1 4.37Å; V247-L273 HydrophobicContact CB-CD1 4.33Å; V247-L273 HydrophobicContact CG1-CD1 4.48Å; V247-L273 WeakPolarHBondContact O-CD1 3.33Å
248	Q	88.6	Confident	86.4	Confident	115 Å²	115	49 Å²	49	54%	0.537	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139	178.2	-175.5	174.7	-6.5	0	0	110.2	S252 I254	Q248-S252 PolarHBondContact NE2-O 2.91Å; Q248-I254 WeakPolarHBondContact CA-O 3.34Å; Q248-I254 WeakPolarHBondContact CG-O 3.46Å
249	L	83.4	Confident	86.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.			trans	-73	124.1	171.8	-87.5	165.4	0	0	0	110	F234 V236 S252 I254 L273 A275 L295	F234-L249 HydrophobicContact CD1-CD2 4.15Å; F234-L249 HydrophobicContact CE1-CB 4.25Å; F234-L249 VanDerWaalsContact O-CD2 3.32Å; F234-L249 WeakPolarHBondContact O-CD2 3.22Å; V236-L249 HydrophobicContact CB-CD2 4.47Å; V236-L249 HydrophobicContact CG1-CD2 3.83Å; V236-L249 HydrophobicContact CG1-CG 4.09Å; L249-S252 WeakPolarHBondContact CB-OG 3.41Å; L249-S252 PolarHBondContact O-N 3.19Å; L249-S252 PolarHBondContact O-OG 3.2Å; L249-I254 HydrophobicContact CB-CB 4.5Å; L249-I254 HydrophobicContact CD1-CB 4.22Å; L249-I254 HydrophobicContact CD1-CG2 4.11Å; L249-I254 PolarHBondContact N-O 2.89Å; L249-L273 HydrophobicContact CD1-CB 4.27Å; L249-L273 HydrophobicContact CD2-CB 4.31Å; L249-L273 HydrophobicContact CG-CB 4.04Å; L249-L273 HydrophobicContact CG-CD1 4.49Å; L249-A275 HydrophobicContact CD1-CB 3.9Å; L249-L295 HydrophobicContact CD1-CD1 3.64Å
250	P	75.3	Confident	86.6	Confident	75 Å²	75	51.7 Å²	51.7	49%	0.487	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	145.1	-178.2	-29.1	35.3	0	0	0	113.3	F234 S252	F234-P250 WeakPolarHBondContact CZ-O 3.49Å; P250-S252 PolarHBondContact O-N 2.93Å
251	E	71.5	Confident	86.4	Confident	147 Å²	147	52.7 Å²	52.7	69%	0.687	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	19	178.6	-58.7	174.3	-162	0	0	115.1	P420	E251-P420 WeakPolarHBondContact OE2-CB 3.47Å; E251-P420 VanDerWaalsContact OE2-CD 3.32Å; E251-P420 WeakPolarHBondContact OE2-CD 3.41Å; E251-P420 WeakPolarHBondContact OE2-CG 3.34Å
252	S	76	Confident	86.3	Confident	8 Å²	8	51.7 Å²	51.7	6%	0.056	29%	0.288	C	S	.	.	S	Bend	trans	-138.7	162	179.4	77.9	0	0	0	0	113.4	Q248 L249 P250 I254 D417	Q248-S252 PolarHBondContact NE2-O 2.91Å; L249-S252 WeakPolarHBondContact CB-OG 3.41Å; L249-S252 PolarHBondContact O-N 3.19Å; L249-S252 PolarHBondContact O-OG 3.2Å; P250-S252 PolarHBondContact O-N 2.93Å; S252-I254 VanDerWaalsContact C-N 3.34Å; S252-I254 PolarHBondContact O-N 3.43Å; S252-D417 VanDerWaalsContact CA-OD2 3.23Å; S252-D417 WeakPolarHBondContact CA-OD2 3.38Å; S252-D417 WeakPolarHBondContact CB-OD2 3.43Å
253	K	83.4	Confident	86.2	Confident	133 Å²	133	48 Å²	48	58%	0.578	27%	0.271	S	S	*	.	S	Bend	trans	-98	50.7	174.6	-60.8	-169.8	-171	-176	0	111.9	M312 K313 D417	K253-M312 WeakPolarHBondContact O-CA 3.19Å; K253-K313 HydrophobicContact CB-CB 3.84Å; K253-K313 HydrophobicContact CD-CD 4.39Å; K253-K313 PolarHBondContact O-N 2.84Å; K253-D417 PolarHBondContact N-OD2 3.2Å; K253-D417 VanDerWaalsContact N-OD2 3.14Å
254	I	88.8	Confident	86.1	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.036	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.4	175.4	-54.7	179.4	0	0	0	108.8	Q248 L249 S252 P293 L295 L310 E311 M312	Q248-I254 WeakPolarHBondContact CA-O 3.34Å; Q248-I254 WeakPolarHBondContact CG-O 3.46Å; L249-I254 HydrophobicContact CB-CB 4.5Å; L249-I254 HydrophobicContact CD1-CB 4.22Å; L249-I254 HydrophobicContact CD1-CG2 4.11Å; L249-I254 PolarHBondContact N-O 2.89Å; S252-I254 VanDerWaalsContact C-N 3.34Å; S252-I254 PolarHBondContact O-N 3.43Å; I254-P293 HydrophobicContact CD1-CG 3.71Å; I254-L295 HydrophobicContact CG2-CD1 4.3Å; I254-L295 HydrophobicContact CG2-CD2 4.13Å; I254-L310 HydrophobicContact CG2-CD1 4.4Å; I254-E311 WeakPolarHBondContact CA-O 3.35Å; I254-M312 HydrophobicContact CB-CB 4.47Å; I254-M312 HydrophobicContact CG1-CB 4Å; I254-M312 HydrophobicContact CG2-CB 4.2Å
255	S	91.4	Very high	86	Confident	28 Å²	28	53 Å²	53	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.5	179.8	65.9	0	0	0	0	112.6	V247 E311	V247-S255 CarbonylContact O-C 3.56Å; V247-S255 VanDerWaalsContact O-CA 3.25Å; V247-S255 WeakPolarHBondContact O-CA 3.37Å; S255-E311 PolarHBondContact N-O 2.85Å; S255-E311 PolarHBondContact O-N 2.91Å
256	I	92.3	Very high	85.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.3	170	-157.9	170.3	0	0	0	109.2	S246 V247 V271 L273 V297 L308 S309 L310 L359	S246-I256 CarbonylContact C-O 3.5Å; S246-I256 VanDerWaalsContact CA-O 3.24Å; S246-I256 WeakPolarHBondContact CA-O 3.25Å; V247-I256 HydrophobicContact CB-CG2 3.98Å; V247-I256 HydrophobicContact CG2-CG2 4.19Å; V247-I256 PolarHBondContact N-O 2.92Å; V247-I256 PolarHBondContact O-N 2.99Å; I256-V271 HydrophobicContact CG2-CG1 3.99Å; I256-L273 HydrophobicContact CB-CD1 4.14Å; I256-L273 HydrophobicContact CB-CD2 4.28Å; I256-L273 HydrophobicContact CD1-CD2 4.36Å; I256-L273 HydrophobicContact CG2-CD1 3.8Å; I256-L273 HydrophobicContact CG2-CD2 4.03Å; I256-L273 HydrophobicContact CG2-CG 4.13Å; I256-V297 HydrophobicContact CD1-CG1 4.4Å; I256-L308 HydrophobicContact CD1-CB 4.08Å; I256-L308 HydrophobicContact CD1-CD1 3.78Å; I256-L308 HydrophobicContact CG1-CB 4.16Å; I256-L308 HydrophobicContact CG1-CD1 4.49Å; I256-S309 CarbonylContact C-O 3.53Å; I256-S309 WeakPolarHBondContact CA-O 3.33Å; I256-L310 HydrophobicContact CB-CD1 4.31Å; I256-L310 HydrophobicContact CG1-CB 4.46Å; I256-L359 HydrophobicContact CD1-CD1 3.83Å
257	H	91.4	Very high	85.4	Confident	95 Å²	95	55 Å²	55	44%	0.44	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.9	178.8	-178.5	-81.3	0	0	0	109.8	S309	H257-S309 PolarHBondContact N-O 2.87Å; H257-S309 PolarHBondContact O-N 3.36Å
258	V	90.9	Very high	85.3	Confident	2 Å²	2	56 Å²	56	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.8	174.9	-175.2	0	0	0	0	107.6	I240 G244 G245 H262 V271 L308	I240-V258 HydrophobicContact CD1-CB 4.07Å; I240-V258 HydrophobicContact CD1-CG2 3.53Å; I240-V258 HydrophobicContact CG2-CB 4.04Å; I240-V258 HydrophobicContact CG2-CG1 3.94Å; I240-V258 HydrophobicContact CG2-CG2 4.42Å; G244-V258 CarbonylContact C-O 3.57Å; G244-V258 VanDerWaalsContact CA-O 3.26Å; G244-V258 WeakPolarHBondContact CA-O 3.35Å; G245-V258 PolarHBondContact N-O 3.46Å; G245-V258 PolarHBondContact O-N 3.17Å; V258-H262 HydrophobicContact CG1-CB 3.68Å; V258-H262 WeakPolarHBondContact CG1-CD2 3.44Å; V258-V271 HydrophobicContact CG2-CG2 4.31Å; V258-L308 HydrophobicContact CB-CD2 3.96Å; V258-L308 HydrophobicContact CG1-CD2 3.98Å; V258-L308 HydrophobicContact CG2-CD2 3.7Å
259	P	90	Very high	85.2	Confident	20 Å²	20	50.5 Å²	50.5	13%	0.13	29%	0.29	C	S	.	.			trans	-70.1	160.9	179.9	30.2	-34	0	0	0	112.1	H262 E306	P259-H262 HydrophobicContact CG-CB 4.19Å; P259-H262 VanDerWaalsContact O-CB 3.22Å; P259-H262 WeakPolarHBondContact O-CB 3.31Å; P259-H262 PolarHBondContact O-N 3.16Å; P259-E306 VanDerWaalsContact CB-OE2 3.24Å; P259-E306 WeakPolarHBondContact CB-OE2 3.37Å; P259-E306 HydrophobicContact CG-CB 3.69Å; P259-E306 VanDerWaalsContact CG-OE2 3.24Å; P259-E306 WeakPolarHBondContact CG-OE2 3.47Å
260	Q	89.7	Confident	85.5	Confident	151 Å²	151	52.5 Å²	52.5	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	136.8	174.6	-174	175.2	8.3	0	0	110.1	S243 H262	S243-Q260 WeakPolarHBondContact O-CB 3.37Å; Q260-H262 VanDerWaalsContact C-N 3.3Å; Q260-H262 PolarHBondContact O-N 2.66Å
261	G	83.9	Confident	86.2	Confident	32 Å²	32	49 Å²	49	33%	0.33	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	3.5	-177.2	0	0	0	0	0	115.5	H242 V263	H242-G261 PolarHBondContact O-N 2.85Å; G261-V263 PolarHBondContact O-N 2.88Å
262	H	84.6	Confident	87.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.251	C	S	.	.	S	Bend	trans	-55.1	-36.1	175.9	177.1	80.2	0	0	0	113.3	V258 P259 Q260 T304 K305 E306 L308	V258-H262 HydrophobicContact CG1-CB 3.68Å; V258-H262 WeakPolarHBondContact CG1-CD2 3.44Å; P259-H262 HydrophobicContact CG-CB 4.19Å; P259-H262 VanDerWaalsContact O-CB 3.22Å; P259-H262 WeakPolarHBondContact O-CB 3.31Å; P259-H262 PolarHBondContact O-N 3.16Å; Q260-H262 VanDerWaalsContact C-N 3.3Å; Q260-H262 PolarHBondContact O-N 2.66Å; H262-T304 VanDerWaalsContact CE1-CB 3.45Å; H262-T304 WeakPolarHBondContact CE1-CB 3.46Å; H262-T304 VanDerWaalsContact CE1-CG2 3.43Å; H262-T304 WeakPolarHBondContact CE1-CG2 3Å; H262-T304 VanDerWaalsContact NE2-CG2 3.29Å; H262-T304 WeakPolarHBondContact NE2-CG2 2.88Å; H262-T304 VanDerWaalsContact O-CA 3.28Å; H262-T304 WeakPolarHBondContact O-CA 3.44Å; H262-K305 PolarHBondContact O-N 3.04Å; H262-K305 VanDerWaalsContact O-N 3.13Å; H262-E306 PolarHBondContact CE1-O 2.71Å; H262-E306 VanDerWaalsContact CE1-O 3.3Å; H262-E306 PolarHBondContact ND1-O 2.74Å; H262-L308 WeakPolarHBondContact CE1-CD2 3.44Å
263	V	87.1	Confident	87.7	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	25%	0.248	C	C	.	.	S	Bend	trans	-121	160.3	170.7	-66.8	0	0	0	0	111.1	H242 G261 E267 Q269	H242-V263 WeakPolarHBondContact CB-O 3.49Å; G261-V263 PolarHBondContact O-N 2.88Å; V263-E267 HydrophobicContact CB-CB 4.17Å; V263-Q269 HydrophobicContact CG1-CB 3.99Å
264	L	84.3	Confident	88	Confident	81 Å²	81	38.1 Å²	38.1	42%	0.424	23%	0.228	S	C	.	.			trans	-69.2	151.9	-179.5	-63.3	176.5	0	0	0	112.3	G266 E267	L264-G266 PolarHBondContact O-N 2.84Å; L264-E267 HydrophobicContact CB-CG 4.17Å; L264-E267 WeakPolarHBondContact O-CB 3.39Å; L264-E267 PolarHBondContact O-N 2.79Å
265	P	83.9	Confident	87.9	Confident	102 Å²	102	38.4 Å²	38.4	66%	0.662	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	124.8	171.5	-22.5	32.8	0	0	0	111.3
266	G	81.1	Confident	87.6	Confident	82 Å²	82	39.2 Å²	39.2	85%	0.845	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.5	-18.9	-173.8	0	0	0	0	0	114.7	L264	L264-G266 PolarHBondContact O-N 2.84Å
267	E	86.1	Confident	87.2	Confident	65 Å²	65	40.8 Å²	40.8	30%	0.304	24%	0.241	S	C	.	.			trans	-85.2	158.3	168.1	-64.1	-171.1	160.6	0	0	111.5	V263 L264 N301	V263-E267 HydrophobicContact CB-CB 4.17Å; L264-E267 HydrophobicContact CB-CG 4.17Å; L264-E267 WeakPolarHBondContact O-CB 3.39Å; L264-E267 PolarHBondContact O-N 2.79Å; E267-N301 PolarHBondContact OE2-ND2 3.44Å
268	V	86.6	Confident	86.8	Confident	27 Å²	27	38.7 Å²	38.7	16%	0.164	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	118.5	179	-169.8	0	0	0	0	111.7	K174 F175 K239 I240 D241 E270	K174-V268 PolarHBondContact NZ-O 3.5Å; K174-V268 VanDerWaalsContact NZ-O 3.14Å; F175-V268 HydrophobicContact CD2-CG2 4.49Å; F175-V268 HydrophobicContact CE2-CB 4.03Å; F175-V268 HydrophobicContact CE2-CG1 3.59Å; F175-V268 HydrophobicContact CE2-CG2 4.05Å; F175-V268 HydrophobicContact CZ-CB 4.48Å; F175-V268 HydrophobicContact CZ-CG1 3.72Å; F175-V268 HydrophobicContact CZ-CG2 4.29Å; K239-V268 HydrophobicContact CB-CG1 3.99Å; I240-V268 CarbonylContact O-C 3.55Å; I240-V268 VanDerWaalsContact O-CG1 3.31Å; I240-V268 WeakPolarHBondContact O-CG1 3.31Å; D241-V268 HydrophobicContact CB-CG1 4.45Å; D241-V268 HydrophobicContact CB-CG2 4.15Å; V268-E270 PolarHBondContact O-N 3.13Å
269	Q	86.4	Confident	86.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	100.8	172.2	-167	69.7	26.9	0	0	110.4	K239 I240 V263 V271 N301	K239-Q269 WeakPolarHBondContact CA-O 3.5Å; I240-Q269 PolarHBondContact N-O 2.79Å; I240-Q269 PolarHBondContact O-N 3.32Å; V263-Q269 HydrophobicContact CG1-CB 3.99Å; Q269-V271 HydrophobicContact CB-CG2 4.5Å; Q269-V271 HydrophobicContact CG-CG2 3.62Å; Q269-N301 PolarHBondContact NE2-O 2.82Å; Q269-N301 PolarHBondContact OE1-O 2.94Å
270	E	90.8	Very high	86.4	Confident	42 Å²	42	38.7 Å²	38.7	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.8	159.7	-171.1	162.6	-168	0	0	108.8	K174 I237 S238 K239 V268 S300	K174-E270 WeakPolarHBondContact CE-OE2 3.39Å; I237-E270 HydrophobicContact CG2-CG 3.99Å; S238-E270 CarbonylContact O-C 3.57Å; S238-E270 WeakPolarHBondContact O-CA 3.44Å; K239-E270 WeakPolarHBondContact CE-OE1 3.49Å; K239-E270 WeakPolarHBondContact CE-OE2 3.5Å; K239-E270 HydrophobicContact CG-CB 3.97Å; K239-E270 HydrophobicContact CG-CG 3.85Å; K239-E270 IonicContact NZ-OE1 3.4Å; K239-E270 PolarHBondContact NZ-OE1 2.95Å; K239-E270 VanDerWaalsContact NZ-OE1 3.15Å; K239-E270 IonicContact NZ-OE2 2.65Å; V268-E270 PolarHBondContact O-N 3.13Å; E270-S300 WeakPolarHBondContact CA-OG 3.38Å; E270-S300 VanDerWaalsContact CB-OG 3.25Å; E270-S300 WeakPolarHBondContact CB-OG 3.26Å; E270-S300 PolarHBondContact N-OG 2.74Å; E270-S300 PolarHBondContact O-N 3.33Å; E270-S300 PolarHBondContact O-OG 2.89Å
271	V	89.6	Confident	86	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.1	-179.1	-178.1	0	0	0	0	108.1	I237 S238 V247 I256 V258 Q269 L273 L299	I237-V271 WeakPolarHBondContact CA-O 3.04Å; S238-V271 PolarHBondContact N-O 3.46Å; S238-V271 PolarHBondContact O-N 2.8Å; V247-V271 HydrophobicContact CG2-CB 4.26Å; V247-V271 HydrophobicContact CG2-CG1 4.37Å; I256-V271 HydrophobicContact CG2-CG1 3.99Å; V258-V271 HydrophobicContact CG2-CG2 4.31Å; Q269-V271 HydrophobicContact CB-CG2 4.5Å; Q269-V271 HydrophobicContact CG-CG2 3.62Å; V271-L273 HydrophobicContact CG1-CD2 4.45Å; V271-L299 HydrophobicContact CB-CD2 4.33Å; V271-L299 HydrophobicContact CG1-CD2 4.01Å; V271-L299 HydrophobicContact CG2-CD2 3.92Å
272	T	90.3	Very high	85.8	Confident	25 Å²	25	38.1 Å²	38.1	15%	0.153	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.9	170.1	-56.5	0	0	0	0	109.3	V236 I237 V297 L298	V236-T272 WeakPolarHBondContact O-CA 3.49Å; I237-T272 HydrophobicContact CG1-CG2 3.97Å; T272-V297 WeakPolarHBondContact O-CA 2.95Å; T272-L298 HydrophobicContact CG2-CD1 4.09Å; T272-L298 PolarHBondContact N-O 3.35Å; T272-L298 PolarHBondContact O-N 3.36Å
273	L	88.9	Confident	85.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.7	167.6	-62.9	-176.8	0	0	0	109.3	Q235 V236 V247 L249 I256 V271 L295 V297	Q235-L273 CarbonylContact C-O 3.58Å; Q235-L273 WeakPolarHBondContact CA-O 3.22Å; V236-L273 HydrophobicContact CG1-CB 3.83Å; V236-L273 HydrophobicContact CG1-CD1 4.45Å; V236-L273 HydrophobicContact CG1-CG 4.46Å; V236-L273 PolarHBondContact N-O 3.41Å; V236-L273 PolarHBondContact O-N 2.86Å; V247-L273 HydrophobicContact CB-CD1 4.33Å; V247-L273 HydrophobicContact CG1-CD1 4.48Å; V247-L273 WeakPolarHBondContact O-CD1 3.33Å; L249-L273 HydrophobicContact CD1-CB 4.27Å; L249-L273 HydrophobicContact CD2-CB 4.31Å; L249-L273 HydrophobicContact CG-CB 4.04Å; L249-L273 HydrophobicContact CG-CD1 4.49Å; I256-L273 HydrophobicContact CB-CD1 4.14Å; I256-L273 HydrophobicContact CB-CD2 4.28Å; I256-L273 HydrophobicContact CD1-CD2 4.36Å; I256-L273 HydrophobicContact CG2-CD1 3.8Å; I256-L273 HydrophobicContact CG2-CD2 4.03Å; I256-L273 HydrophobicContact CG2-CG 4.13Å; V271-L273 HydrophobicContact CG1-CD2 4.45Å; L273-L295 HydrophobicContact CB-CD1 4.31Å; L273-L295 HydrophobicContact CD2-CD1 4.47Å; L273-L295 HydrophobicContact CD2-CD2 4.26Å; L273-V297 HydrophobicContact CD2-CB 4.46Å; L273-V297 HydrophobicContact CD2-CG1 4.12Å; L273-V297 HydrophobicContact CD2-CG2 3.89Å
274	K	88.7	Confident	85.8	Confident	35 Å²	35	39.6 Å²	39.6	15%	0.152	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	118.2	177	169.9	174.3	161	-124.7	0	110.5	H233 F234 Q235 E296	H233-K274 HydrophobicContact CB-CD 4.5Å; F234-K274 WeakPolarHBondContact O-CA 3.36Å; Q235-K274 HydrophobicContact CB-CB 3.86Å; Q235-K274 HydrophobicContact CB-CD 4.33Å; Q235-K274 HydrophobicContact CB-CG 4.1Å; K274-E296 HydrophobicContact CB-CB 4.21Å; K274-E296 PolarHBondContact N-O 3.28Å; K274-E296 IonicContact NZ-OE1 2.71Å; K274-E296 PolarHBondContact NZ-OE1 2.71Å; K274-E296 IonicContact NZ-OE2 2.71Å; K274-E296 PolarHBondContact NZ-OE2 3.33Å; K274-E296 WeakPolarHBondContact O-CB 3.4Å; K274-E296 PolarHBondContact O-N 2.93Å
275	A	86.8	Confident	85.9	Confident	14 Å²	14	39 Å²	39	12%	0.116	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.8	178.4	0	0	0	0	0	112	F234 L249 P293 L294	F234-A275 HydrophobicContact CD1-CB 3.99Å; F234-A275 PolarHBondContact O-N 3.09Å; L249-A275 HydrophobicContact CD1-CB 3.9Å; A275-P293 HydrophobicContact CB-CB 4.44Å; A275-P293 HydrophobicContact CB-CG 4.49Å; A275-L294 CarbonylContact C-O 3.6Å
276	M	85.8	Confident	85.9	Confident	44 Å²	44	38.4 Å²	38.4	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.6	174.9	-53.4	-170.5	76.5	0	0	108.8	N278 L294	M276-N278 VanDerWaalsContact C-N 3.27Å; M276-N278 PolarHBondContact O-N 2.9Å; M276-L294 HydrophobicContact CB-CB 4.29Å; M276-L294 PolarHBondContact N-O 3.02Å; M276-L294 PolarHBondContact O-N 2.85Å
277	L	83.8	Confident	86.2	Confident	33 Å²	33	36.6 Å²	36.6	17%	0.173	22%	0.22	C	C	.	.	S	Bend	trans	-69.9	-21	-178.4	-61.5	-171.3	0	0	0	113.9	P293 H415 V418 V487	L277-P293 HydrophobicContact CD2-CB 4.06Å; L277-H415 HydrophobicContact CD2-CB 4.35Å; L277-H415 PolarHBondContact O-NE2 3.05Å; L277-V418 HydrophobicContact CD1-CG1 3.79Å; L277-V487 HydrophobicContact CB-CG2 3.58Å; L277-V487 WeakPolarHBondContact O-CG2 3.1Å
278	N	84.4	Confident	86.3	Confident	52 Å²	52	35 Å²	35	28%	0.278	21%	0.213	S	C	.	.	S	Bend	trans	-86.9	119.2	178.1	-88.6	-54.6	0	0	0	110.4	M276 V487	M276-N278 VanDerWaalsContact C-N 3.27Å; M276-N278 PolarHBondContact O-N 2.9Å; N278-V487 WeakPolarHBondContact OD1-CB 3.31Å; N278-V487 PolarHBondContact OD1-N 2.7Å
279	P	85.6	Confident	86.5	Confident	17 Å²	17	33.7 Å²	33.7	11%	0.11	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-70.1	164.5	-178.8	30.3	-36.1	0	0	0	112.2	N284 T290 I369 G485	P279-N284 WeakPolarHBondContact CG-ND2 3.48Å; P279-T290 HydrophobicContact CB-CG2 3.91Å; P279-I369 HydrophobicContact CB-CD1 4.44Å; P279-G485 WeakPolarHBondContact CD-O 2.95Å
280	P	86.2	Confident	86.7	Confident	5 Å²	5	34 Å²	34	3%	0.032	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-59.7	134.7	171.7	-21.6	32.9	0	0	0	111.9	G282 L283 L294 Y342	P280-G282 PolarHBondContact O-N 3.48Å; P280-L283 HydrophobicContact CB-CB 4.25Å; P280-L283 HydrophobicContact CG-CD2 4.07Å; P280-L283 WeakPolarHBondContact O-CB 3.41Å; P280-L283 PolarHBondContact O-N 3.42Å; P280-L294 HydrophobicContact CG-CD1 4.13Å; P280-L294 HydrophobicContact CG-CD2 4.13Å; P280-Y342 HydrophobicContact CB-CE2 3.79Å; P280-Y342 HydrophobicContact CG-CD2 4.46Å; P280-Y342 HydrophobicContact CG-CE2 3.52Å; P280-Y342 WeakPolarHBondContact CG-OH 3.44Å
281	P	80.6	Confident	86.7	Confident	97 Å²	97	32.1 Å²	32.1	63%	0.63	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	135.8	176.1	27.5	-34.3	0	0	0	110.5	L283	P281-L283 VanDerWaalsContact C-N 3.32Å; P281-L283 PolarHBondContact O-N 2.73Å
282	G	80.2	Confident	86.7	Confident	73 Å²	73	32.2 Å²	32.2	75%	0.753	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	-8.7	-179.6	0	0	0	0	0	115.8	P280	P280-G282 PolarHBondContact O-N 3.48Å
283	L	85	Confident	86.6	Confident	23 Å²	23	31.8 Å²	31.8	12%	0.12	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-33.6	174.8	-175.6	62.6	0	0	0	112.4	P280 P281 T290 M333 I369 V371	P280-L283 HydrophobicContact CB-CB 4.25Å; P280-L283 HydrophobicContact CG-CD2 4.07Å; P280-L283 WeakPolarHBondContact O-CB 3.41Å; P280-L283 PolarHBondContact O-N 3.42Å; P281-L283 VanDerWaalsContact C-N 3.32Å; P281-L283 PolarHBondContact O-N 2.73Å; L283-T290 HydrophobicContact CD2-CG2 3.67Å; L283-T290 HydrophobicContact CG-CG2 4.27Å; L283-M333 HydrophobicContact CD1-SD 3.95Å; L283-I369 HydrophobicContact CD2-CD1 4.21Å; L283-I369 HydrophobicContact CD2-CG2 3.85Å; L283-V371 HydrophobicContact CD2-CG1 4.16Å; L283-V371 HydrophobicContact CG-CG1 4.42Å
284	N	86.8	Confident	86.7	Confident	14 Å²	14	31.9 Å²	31.9	8%	0.075	20%	0.198	C	C	.	.			trans	-94.4	127.5	180	-71.8	-26.3	0	0	0	111.3	P279 I288 T289 T290 I484	P279-N284 WeakPolarHBondContact CG-ND2 3.48Å; N284-I288 WeakPolarHBondContact CA-O 3.37Å; N284-T289 VanDerWaalsContact OD1-CA 3.25Å; N284-T289 WeakPolarHBondContact OD1-CA 3.43Å; N284-T290 PolarHBondContact ND2-OG1 2.94Å; N284-T290 WeakPolarHBondContact OD1-CG2 3.26Å; N284-T290 PolarHBondContact OD1-N 3.35Å; N284-T290 PolarHBondContact OD1-OG1 2.78Å; N284-I484 WeakPolarHBondContact CB-O 3.25Å; N284-I484 PolarHBondContact ND2-O 3.32Å
285	N	85.3	Confident	86.8	Confident	70 Å²	70	30.2 Å²	30.2	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-145.3	-160.6	177.7	66.1	41.3	0	0	0	109.7	S287 I288	N285-S287 WeakPolarHBondContact OD1-CA 3.43Å; N285-S287 PolarHBondContact OD1-N 2.87Å; N285-S287 PolarHBondContact OD1-OG 2.87Å; N285-I288 PolarHBondContact N-O 3.46Å; N285-I288 PolarHBondContact OD1-N 3.17Å
286	N	85.6	Confident	87	Confident	88 Å²	88	30.8 Å²	30.8	47%	0.471	19%	0.191	S	C	.	.	S	Bend	trans	-73.2	-31.4	179.4	-73.1	-20.9	0	0	0	113.6	L377 S383 V384	N286-L377 HydrophobicContact CB-CD1 3.99Å; N286-S383 CarbonylContact O-C 3.55Å; N286-S383 WeakPolarHBondContact O-CA 3.48Å; N286-S383 WeakPolarHBondContact O-CB 3.49Å; N286-S383 PolarHBondContact O-OG 2.71Å; N286-V384 WeakPolarHBondContact O-CG2 3.48Å; N286-V384 PolarHBondContact O-N 3.41Å
287	S	86	Confident	87.3	Confident	44 Å²	44	28.7 Å²	28.7	31%	0.308	18%	0.18	S	C	.	.	S	Bend	trans	-103.6	-9	-177	61.1	0	0	0	0	115	N285 E373 A374 V384	N285-S287 WeakPolarHBondContact OD1-CA 3.43Å; N285-S287 PolarHBondContact OD1-N 2.87Å; N285-S287 PolarHBondContact OD1-OG 2.87Å; S287-E373 CarbonylContact O-C 3.59Å; S287-E373 VanDerWaalsContact O-CA 3.31Å; S287-E373 WeakPolarHBondContact O-CA 3.45Å; S287-A374 PolarHBondContact O-N 3.25Å; S287-V384 WeakPolarHBondContact O-CG2 3.47Å
288	I	89.5	Confident	87.7	Confident	31 Å²	31	29.8 Å²	29.8	16%	0.159	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.2	175.3	-59.7	176.5	0	0	0	109.8	N284 N285 V371 A372 E373	N284-I288 WeakPolarHBondContact CA-O 3.37Å; N285-I288 PolarHBondContact N-O 3.46Å; N285-I288 PolarHBondContact OD1-N 3.17Å; I288-V371 HydrophobicContact CG2-CB 4.16Å; I288-V371 HydrophobicContact CG2-CG1 4.41Å; I288-V371 HydrophobicContact CG2-CG2 4.48Å; I288-A372 CarbonylContact C-O 3.52Å; I288-A372 WeakPolarHBondContact CA-O 3.3Å; I288-E373 HydrophobicContact CG1-CB 4.27Å; I288-E373 HydrophobicContact CG1-CG 4.02Å
289	T	89.9	Confident	87.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.6	175.5	178.1	0	0	0	0	114.3	N284 M291 A372 V384 W385 L388 R390	N284-T289 VanDerWaalsContact OD1-CA 3.25Å; N284-T289 WeakPolarHBondContact OD1-CA 3.43Å; T289-M291 PolarHBondContact O-N 3.45Å; T289-A372 PolarHBondContact N-O 3.31Å; T289-A372 PolarHBondContact O-N 2.86Å; T289-V384 HydrophobicContact CG2-CB 3.76Å; T289-V384 HydrophobicContact CG2-CG1 4.24Å; T289-V384 HydrophobicContact CG2-CG2 4.08Å; T289-W385 PolarHBondContact OG1-NE1 3.48Å; T289-L388 HydrophobicContact CG2-CD1 3.85Å; T289-R390 PolarHBondContact O-NH2 3.04Å; T289-R390 VanDerWaalsContact O-NH2 3.13Å; T289-R390 PolarHBondContact OG1-NH1 2.73Å; T289-R390 PolarHBondContact OG1-NH2 2.78Å
290	T	91.1	Very high	87.9	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.1	-179	48.1	0	0	0	0	113.7	P279 L283 N284 I369 V371 R390	P279-T290 HydrophobicContact CB-CG2 3.91Å; L283-T290 HydrophobicContact CD2-CG2 3.67Å; L283-T290 HydrophobicContact CG-CG2 4.27Å; N284-T290 PolarHBondContact ND2-OG1 2.94Å; N284-T290 WeakPolarHBondContact OD1-CG2 3.26Å; N284-T290 PolarHBondContact OD1-N 3.35Å; N284-T290 PolarHBondContact OD1-OG1 2.78Å; T290-I369 HydrophobicContact CG2-CD1 3.35Å; T290-I369 HydrophobicContact CG2-CG1 3.97Å; T290-V371 HydrophobicContact CG2-CG1 4.13Å; T290-R390 PolarHBondContact O-NH2 2.86Å
291	M	89.8	Confident	87.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	19%	0.194	C	C	.	.			trans	-100	-17.7	179.2	-69.7	-74.8	-80.6	0	0	113.1	T289 L314 S315 G316 V330 A370 A372 L388 R390	T289-M291 PolarHBondContact O-N 3.45Å; M291-L314 HydrophobicContact CB-CB 4.34Å; M291-L314 HydrophobicContact CB-CD1 4.33Å; M291-L314 HydrophobicContact CB-CD2 3.92Å; M291-L314 HydrophobicContact CB-CG 4.43Å; M291-L314 HydrophobicContact CE-CB 4.22Å; M291-L314 HydrophobicContact CE-CD1 3.81Å; M291-L314 CarbonylContact O-C 3.56Å; M291-L314 WeakPolarHBondContact O-CA 3.3Å; M291-S315 VanDerWaalsContact O-CB 3.3Å; M291-S315 WeakPolarHBondContact O-CB 3.44Å; M291-S315 PolarHBondContact O-N 2.98Å; M291-S315 PolarHBondContact O-OG 3.23Å; M291-G316 WeakPolarHBondContact CE-O 3.46Å; M291-V330 HydrophobicContact CE-CG2 4.33Å; M291-V330 HydrophobicContact CG-CG1 4.43Å; M291-A370 HydrophobicContact CB-CB 4.26Å; M291-A370 PolarHBondContact N-O 3.41Å; M291-A372 HydrophobicContact CG-CB 3.69Å; M291-A372 HydrophobicContact SD-CB 3.94Å; M291-L388 HydrophobicContact CE-CD2 4.45Å; M291-L388 HydrophobicContact SD-CD1 4.1Å; M291-L388 HydrophobicContact SD-CD2 4.34Å; M291-R390 PolarHBondContact SD-NE 3.28Å; M291-R390 VanDerWaalsContact SD-NE 3.38Å; M291-R390 PolarHBondContact SD-NH2 2.78Å
292	S	89.6	Confident	87.2	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.014	19%	0.187	C	C	.	.	S	Bend	trans	-124.8	164.4	177.3	75.2	0	0	0	0	111.5	M312 A370 H415	S292-M312 WeakPolarHBondContact CB-SD 3.46Å; S292-M312 PolarHBondContact OG-SD 2.87Å; S292-A370 PolarHBondContact N-O 2.74Å; S292-A370 PolarHBondContact OG-N 2.91Å; S292-H415 VanDerWaalsContact C-CE1 3.46Å; S292-H415 PolarHBondContact O-CE1 2.83Å
293	P	89.8	Confident	86.6	Confident	17 Å²	17	32.7 Å²	32.7	11%	0.11	18%	0.182	C	C	.	.			trans	-60.7	160.3	157.6	29.5	-36.7	0	0	0	110.7	I254 A275 L277	I254-P293 HydrophobicContact CD1-CG 3.71Å; A275-P293 HydrophobicContact CB-CB 4.44Å; A275-P293 HydrophobicContact CB-CG 4.49Å; L277-P293 HydrophobicContact CD2-CB 4.06Å
294	L	90.1	Very high	85.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121	173.8	178.8	66.2	0	0	0	109.8	A275 M276 P280 R338 Y342 F367 I369	A275-L294 CarbonylContact C-O 3.6Å; M276-L294 HydrophobicContact CB-CB 4.29Å; M276-L294 PolarHBondContact N-O 3.02Å; M276-L294 PolarHBondContact O-N 2.85Å; P280-L294 HydrophobicContact CG-CD1 4.13Å; P280-L294 HydrophobicContact CG-CD2 4.13Å; L294-R338 HydrophobicContact CD2-CG 4Å; L294-Y342 HydrophobicContact CD1-CE1 4.3Å; L294-Y342 WeakPolarHBondContact CD1-OH 3.18Å; L294-F367 HydrophobicContact CD1-CB 4.06Å; L294-F367 HydrophobicContact CD1-CD1 4.47Å; L294-F367 HydrophobicContact CD2-CD1 4.24Å; L294-F367 HydrophobicContact CG-CD1 4.31Å; L294-I369 HydrophobicContact CB-CD1 4.07Å; L294-I369 HydrophobicContact CD1-CB 4Å; L294-I369 HydrophobicContact CD1-CD1 4.15Å; L294-I369 HydrophobicContact CD1-CG2 4.46Å
295	L	91.2	Very high	84.9	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.8	179.4	-173.3	66.9	0	0	0	110.8	L249 I254 L273 V297 L310 M312 F367 V368	L249-L295 HydrophobicContact CD1-CD1 3.64Å; I254-L295 HydrophobicContact CG2-CD1 4.3Å; I254-L295 HydrophobicContact CG2-CD2 4.13Å; L273-L295 HydrophobicContact CB-CD1 4.31Å; L273-L295 HydrophobicContact CD2-CD1 4.47Å; L273-L295 HydrophobicContact CD2-CD2 4.26Å; L295-V297 HydrophobicContact CD2-CG2 3.97Å; L295-V297 HydrophobicContact CG-CG2 3.89Å; L295-L310 HydrophobicContact CD2-CD1 3.49Å; L295-L310 VanDerWaalsContact CD2-CD1 3.49Å; L295-L310 HydrophobicContact CD2-CD2 3.8Å; L295-L310 HydrophobicContact CD2-CG 4.3Å; L295-M312 HydrophobicContact CD2-CE 4.34Å; L295-F367 CarbonylContact O-C 3.52Å; L295-F367 VanDerWaalsContact O-CA 3.27Å; L295-F367 WeakPolarHBondContact O-CA 3.37Å; L295-V368 PolarHBondContact N-O 3.05Å; L295-V368 PolarHBondContact O-N 3.28Å
296	E	91.8	Very high	84.1	Confident	25 Å²	25	41.5 Å²	41.5	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.2	168.1	-178.5	178.2	145.6	0	0	108.7	K274 L298 F367	K274-E296 HydrophobicContact CB-CB 4.21Å; K274-E296 PolarHBondContact N-O 3.28Å; K274-E296 IonicContact NZ-OE1 2.71Å; K274-E296 PolarHBondContact NZ-OE1 2.71Å; K274-E296 IonicContact NZ-OE2 2.71Å; K274-E296 PolarHBondContact NZ-OE2 3.33Å; K274-E296 WeakPolarHBondContact O-CB 3.4Å; K274-E296 PolarHBondContact O-N 2.93Å; E296-L298 HydrophobicContact CG-CD1 4.05Å; E296-F367 HydrophobicContact CB-CD1 3.99Å; E296-F367 HydrophobicContact CB-CE1 3.75Å; E296-F367 HydrophobicContact CG-CD1 4.28Å; E296-F367 HydrophobicContact CG-CE1 3.63Å; E296-F367 HydrophobicContact CG-CZ 4.07Å
297	V	91.3	Very high	84	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.6	-179.1	-174.3	0	0	0	0	108.6	I256 T272 L273 L295 L299 H365 F366 V368	I256-V297 HydrophobicContact CD1-CG1 4.4Å; T272-V297 WeakPolarHBondContact O-CA 2.95Å; L273-V297 HydrophobicContact CD2-CB 4.46Å; L273-V297 HydrophobicContact CD2-CG1 4.12Å; L273-V297 HydrophobicContact CD2-CG2 3.89Å; L295-V297 HydrophobicContact CD2-CG2 3.97Å; L295-V297 HydrophobicContact CG-CG2 3.89Å; V297-L299 HydrophobicContact CG1-CD2 4.25Å; V297-L299 HydrophobicContact CG1-CG 4.31Å; V297-H365 WeakPolarHBondContact O-CA 3.18Å; V297-F366 HydrophobicContact CB-CD2 4.12Å; V297-F366 HydrophobicContact CB-CE1 4.28Å; V297-F366 HydrophobicContact CB-CE2 3.72Å; V297-F366 HydrophobicContact CB-CZ 3.82Å; V297-F366 HydrophobicContact CG1-CE1 4.06Å; V297-F366 HydrophobicContact CG1-CE2 4.01Å; V297-F366 HydrophobicContact CG1-CZ 3.61Å; V297-F366 HydrophobicContact CG2-CD2 4.41Å; V297-F366 HydrophobicContact CG2-CE2 3.91Å; V297-F366 HydrophobicContact CG2-CZ 4.37Å; V297-F366 PolarHBondContact N-O 3.42Å; V297-F366 PolarHBondContact O-N 3.44Å; V297-V368 HydrophobicContact CG2-CG2 4.39Å
298	L	91	Very high	84.2	Confident	56 Å²	56	37 Å²	37	29%	0.293	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.7	168.9	-55.7	97.4	0	0	0	111.3	T272 E296 T364 H365	T272-L298 HydrophobicContact CG2-CD1 4.09Å; T272-L298 PolarHBondContact N-O 3.35Å; T272-L298 PolarHBondContact O-N 3.36Å; E296-L298 HydrophobicContact CG-CD1 4.05Å; L298-T364 CarbonylContact C-O 3.58Å; L298-T364 VanDerWaalsContact CA-O 3.23Å; L298-T364 WeakPolarHBondContact CA-O 3.44Å; L298-H365 HydrophobicContact CD2-CB 4.17Å; L298-H365 HydrophobicContact CG-CB 4.33Å
299	L	88.9	Confident	84.3	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.8	-176.5	-65	-175.4	0	0	0	109.2	V271 V297 L308 L362 T364 F366	V271-L299 HydrophobicContact CB-CD2 4.33Å; V271-L299 HydrophobicContact CG1-CD2 4.01Å; V271-L299 HydrophobicContact CG2-CD2 3.92Å; V297-L299 HydrophobicContact CG1-CD2 4.25Å; V297-L299 HydrophobicContact CG1-CG 4.31Å; L299-L308 HydrophobicContact CD1-CD1 3.87Å; L299-L308 HydrophobicContact CD2-CD1 3.9Å; L299-L362 HydrophobicContact CD1-CB 3.96Å; L299-L362 HydrophobicContact CD1-CD1 4.25Å; L299-L362 HydrophobicContact CD1-CD2 4.07Å; L299-L362 HydrophobicContact CD1-CG 4.32Å; L299-T364 PolarHBondContact N-O 3.41Å; L299-T364 VanDerWaalsContact O-CA 3.24Å; L299-T364 WeakPolarHBondContact O-CA 3.46Å; L299-T364 WeakPolarHBondContact O-CB 3.42Å; L299-F366 HydrophobicContact CD1-CE1 3.76Å; L299-F366 HydrophobicContact CD1-CZ 4.27Å; L299-F366 HydrophobicContact CG-CE1 4.19Å
300	S	86.1	Confident	84.4	Confident	58 Å²	58	37.8 Å²	37.8	41%	0.406	20%	0.203	S	C	.	.	S	Bend	trans	-86.7	-31.2	-176.8	52.8	0	0	0	0	114.7	E270	E270-S300 WeakPolarHBondContact CA-OG 3.38Å; E270-S300 VanDerWaalsContact CB-OG 3.25Å; E270-S300 WeakPolarHBondContact CB-OG 3.26Å; E270-S300 PolarHBondContact N-OG 2.74Å; E270-S300 PolarHBondContact O-N 3.33Å; E270-S300 PolarHBondContact O-OG 2.89Å
301	N	77.9	Confident	84.5	Confident	27 Å²	27	40.5 Å²	40.5	14%	0.144	22%	0.215	C	C	.	.			trans	-115	150.8	172.4	-170.4	7.2	0	0	0	109.3	E267 Q269 N303	E267-N301 PolarHBondContact OE2-ND2 3.44Å; Q269-N301 PolarHBondContact NE2-O 2.82Å; Q269-N301 PolarHBondContact OE1-O 2.94Å; N301-N303 WeakPolarHBondContact OD1-CB 3.25Å; N301-N303 PolarHBondContact OD1-N 2.75Å
302	I	74.3	Confident	84.6	Confident	93 Å²	93	40.4 Å²	40.4	48%	0.477	21%	0.214	S	C	.	.			trans	-118.4	-16	-178.2	-35.8	175.1	0	0	0	110.5	T304 L362 T364	I302-T304 PolarHBondContact O-N 3.43Å; I302-T304 PolarHBondContact O-OG1 2.89Å; I302-L362 WeakPolarHBondContact CG2-O 3.24Å; I302-T364 HydrophobicContact CD1-CG2 3.55Å; I302-T364 HydrophobicContact CG1-CG2 3.6Å
303	N	68.4	Low	84.6	Confident	121 Å²	121	42.3 Å²	42.3	65%	0.647	22%	0.222	S	C	*	.			trans	-78.8	49.6	-175.7	-61.3	-14.2	0	0	0	111.5	N301	N301-N303 WeakPolarHBondContact OD1-CB 3.25Å; N301-N303 PolarHBondContact OD1-N 2.75Å
304	T	68.3	Low	84.6	Confident	35 Å²	35	41.7 Å²	41.7	22%	0.215	22%	0.218	C	C	.	.			trans	-97.1	133.7	-167.3	57.8	0	0	0	0	111.4	H262 I302	H262-T304 VanDerWaalsContact CE1-CB 3.45Å; H262-T304 WeakPolarHBondContact CE1-CB 3.46Å; H262-T304 VanDerWaalsContact CE1-CG2 3.43Å; H262-T304 WeakPolarHBondContact CE1-CG2 3Å; H262-T304 VanDerWaalsContact NE2-CG2 3.29Å; H262-T304 WeakPolarHBondContact NE2-CG2 2.88Å; H262-T304 VanDerWaalsContact O-CA 3.28Å; H262-T304 WeakPolarHBondContact O-CA 3.44Å; I302-T304 PolarHBondContact O-N 3.43Å; I302-T304 PolarHBondContact O-OG1 2.89Å
305	K	66.3	Low	84.4	Confident	157 Å²	157	41.9 Å²	41.9	68%	0.683	22%	0.219	S	C	*	.	S	Bend	trans	-81.7	-23.1	-177.2	-68.9	-175.5	178	-179	0	114.8	H262	H262-K305 PolarHBondContact O-N 3.04Å; H262-K305 VanDerWaalsContact O-N 3.13Å
306	E	69.8	Low	84.1	Confident	99 Å²	99	42 Å²	42	46%	0.463	22%	0.221	S	C	.	.	S	Bend	trans	-137.2	151.5	-169.9	-64.2	-168.3	-178.1	0	0	112.5	P259 H262	P259-E306 VanDerWaalsContact CB-OE2 3.24Å; P259-E306 WeakPolarHBondContact CB-OE2 3.37Å; P259-E306 HydrophobicContact CG-CB 3.69Å; P259-E306 VanDerWaalsContact CG-OE2 3.24Å; P259-E306 WeakPolarHBondContact CG-OE2 3.47Å; H262-E306 PolarHBondContact CE1-O 2.71Å; H262-E306 VanDerWaalsContact CE1-O 3.3Å; H262-E306 PolarHBondContact ND1-O 2.74Å
307	C	83.9	Confident	84	Confident	38 Å²	38	44 Å²	44	26%	0.257	23%	0.23	S	C	.	.			trans	-67.7	144.2	178.9	60.7	0	0	0	0	112.8	L359 Q360	C307-L359 WeakPolarHBondContact CA-O 3.44Å; C307-L359 VanDerWaalsContact CB-O 3.3Å; C307-L359 WeakPolarHBondContact CB-O 3.45Å; C307-Q360 HydrophobicContact CB-CG 3.97Å
308	L	89.1	Confident	83.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	144.3	170.6	-63.7	178.4	0	0	0	110.3	I256 V258 H262 L299 L359 L362	I256-L308 HydrophobicContact CD1-CB 4.08Å; I256-L308 HydrophobicContact CD1-CD1 3.78Å; I256-L308 HydrophobicContact CG1-CB 4.16Å; I256-L308 HydrophobicContact CG1-CD1 4.49Å; V258-L308 HydrophobicContact CB-CD2 3.96Å; V258-L308 HydrophobicContact CG1-CD2 3.98Å; V258-L308 HydrophobicContact CG2-CD2 3.7Å; H262-L308 WeakPolarHBondContact CE1-CD2 3.44Å; L299-L308 HydrophobicContact CD1-CD1 3.87Å; L299-L308 HydrophobicContact CD2-CD1 3.9Å; L308-L359 HydrophobicContact CB-CB 4.24Å; L308-L359 HydrophobicContact CB-CD1 4.33Å; L308-L359 PolarHBondContact N-O 2.88Å; L308-L359 PolarHBondContact O-N 2.8Å; L308-L362 HydrophobicContact CB-CD2 4.45Å; L308-L362 HydrophobicContact CD1-CD1 4.01Å; L308-L362 HydrophobicContact CD1-CD2 4.12Å; L308-L362 HydrophobicContact CG-CD1 3.79Å; L308-L362 HydrophobicContact CG-CD2 4.28Å
309	S	91.3	Very high	83.6	Confident	46 Å²	46	44.4 Å²	44.4	32%	0.322	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.5	175	-62.1	0	0	0	0	110.2	I256 H257 M357	I256-S309 CarbonylContact C-O 3.53Å; I256-S309 WeakPolarHBondContact CA-O 3.33Å; H257-S309 PolarHBondContact N-O 2.87Å; H257-S309 PolarHBondContact O-N 3.36Å; S309-M357 WeakPolarHBondContact CA-O 3.46Å
310	L	92.9	Very high	83.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.2	-179.7	173.7	65	0	0	0	109.6	I254 I256 L295 M312 R356 M357 L359 V368	I254-L310 HydrophobicContact CG2-CD1 4.4Å; I256-L310 HydrophobicContact CB-CD1 4.31Å; I256-L310 HydrophobicContact CG1-CB 4.46Å; L295-L310 HydrophobicContact CD2-CD1 3.49Å; L295-L310 VanDerWaalsContact CD2-CD1 3.49Å; L295-L310 HydrophobicContact CD2-CD2 3.8Å; L295-L310 HydrophobicContact CD2-CG 4.3Å; L310-M312 HydrophobicContact CD1-CE 4.41Å; L310-M312 HydrophobicContact CD2-CE 3.62Å; L310-M312 HydrophobicContact CG-CE 4.02Å; L310-R356 CarbonylContact O-C 3.53Å; L310-R356 WeakPolarHBondContact O-CA 3.31Å; L310-M357 HydrophobicContact CD2-CE 4.37Å; L310-M357 PolarHBondContact N-O 3.47Å; L310-M357 PolarHBondContact O-N 2.87Å; L310-L359 HydrophobicContact CB-CD1 3.87Å; L310-L359 HydrophobicContact CB-CG 4.38Å; L310-L359 HydrophobicContact CD2-CD1 4.26Å; L310-V368 HydrophobicContact CD2-CB 3.98Å; L310-V368 HydrophobicContact CD2-CG1 3.74Å; L310-V368 HydrophobicContact CD2-CG2 4.17Å
311	E	93.2	Very high	83.3	Confident	65 Å²	65	53 Å²	53	30%	0.304	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.6	172.1	-171.9	173	116.8	0	0	109.7	I254 S255 V354 I355 R356	I254-E311 WeakPolarHBondContact CA-O 3.35Å; S255-E311 PolarHBondContact N-O 2.85Å; S255-E311 PolarHBondContact O-N 2.91Å; E311-V354 HydrophobicContact CG-CG1 3.43Å; E311-V354 VanDerWaalsContact CG-CG1 3.43Å; E311-I355 WeakPolarHBondContact CA-O 3.32Å; E311-R356 HydrophobicContact CB-CG 4.37Å; E311-R356 HydrophobicContact CG-CG 4.12Å; E311-R356 IonicContact OE2-CZ 3.95Å; E311-R356 IonicContact OE2-NE 2.84Å; E311-R356 PolarHBondContact OE2-NE 2.87Å; E311-R356 IonicContact OE2-NH2 2.66Å; E311-R356 PolarHBondContact OE2-NH2 3.22Å
312	M	90.9	Very high	83.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.6	171.8	61.7	177.8	63.2	0	0	111.8	K253 I254 S292 L295 L310 V354 I355 M357 A370	K253-M312 WeakPolarHBondContact O-CA 3.19Å; I254-M312 HydrophobicContact CB-CB 4.47Å; I254-M312 HydrophobicContact CG1-CB 4Å; I254-M312 HydrophobicContact CG2-CB 4.2Å; S292-M312 WeakPolarHBondContact CB-SD 3.46Å; S292-M312 PolarHBondContact OG-SD 2.87Å; L295-M312 HydrophobicContact CD2-CE 4.34Å; L310-M312 HydrophobicContact CD1-CE 4.41Å; L310-M312 HydrophobicContact CD2-CE 3.62Å; L310-M312 HydrophobicContact CG-CE 4.02Å; M312-V354 WeakPolarHBondContact O-CA 3.41Å; M312-I355 HydrophobicContact CG-CG2 3.32Å; M312-I355 PolarHBondContact N-O 2.79Å; M312-I355 PolarHBondContact O-N 2.7Å; M312-I355 HydrophobicContact SD-CG2 4.03Å; M312-M357 HydrophobicContact CE-CE 3.56Å; M312-M357 HydrophobicContact CG-CE 4.04Å; M312-M357 HydrophobicContact SD-CE 3.55Å; M312-M357 VanDerWaalsContact SD-CE 3.55Å; M312-A370 HydrophobicContact SD-CB 4.09Å
313	K	89.4	Confident	84	Confident	41 Å²	41	58.9 Å²	58.9	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142	164.3	-157.7	-158.9	-170.8	-167.3	0	110.2	K253 N353 E416	K253-K313 HydrophobicContact CB-CB 3.84Å; K253-K313 HydrophobicContact CD-CD 4.39Å; K253-K313 PolarHBondContact O-N 2.84Å; K313-N353 CarbonylContact C-O 3.46Å; K313-N353 WeakPolarHBondContact CA-O 3.48Å; K313-N353 VanDerWaalsContact CG-O 3.31Å; K313-N353 WeakPolarHBondContact CG-O 2.93Å; K313-E416 IonicContact NZ-OE1 2.74Å; K313-E416 PolarHBondContact NZ-OE1 2.9Å; K313-E416 IonicContact NZ-OE2 3.16Å; K313-E416 PolarHBondContact NZ-OE2 2.82Å
314	L	89.4	Confident	84.7	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	28%	0.277	C	S	.	.			trans	-89.3	173.1	173.3	-55.3	-177.4	0	0	0	111.1	M291 G316 V330 N353 I355 A370	M291-L314 HydrophobicContact CB-CB 4.34Å; M291-L314 HydrophobicContact CB-CD1 4.33Å; M291-L314 HydrophobicContact CB-CD2 3.92Å; M291-L314 HydrophobicContact CB-CG 4.43Å; M291-L314 HydrophobicContact CE-CB 4.22Å; M291-L314 HydrophobicContact CE-CD1 3.81Å; M291-L314 CarbonylContact O-C 3.56Å; M291-L314 WeakPolarHBondContact O-CA 3.3Å; L314-G316 PolarHBondContact O-N 2.9Å; L314-V330 HydrophobicContact CD1-CG1 3.77Å; L314-N353 WeakPolarHBondContact CA-OD1 3.17Å; L314-N353 WeakPolarHBondContact CB-OD1 3.22Å; L314-N353 PolarHBondContact N-O 3.15Å; L314-N353 PolarHBondContact N-OD1 2.94Å; L314-N353 PolarHBondContact O-OD1 3.43Å; L314-I355 HydrophobicContact CD2-CB 4.26Å; L314-I355 HydrophobicContact CD2-CG2 3.54Å; L314-I355 HydrophobicContact CG-CG2 4.29Å; L314-A370 HydrophobicContact CD2-CB 3.59Å
315	S	86.2	Confident	85.5	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.035	29%	0.288	C	S	.	.	S	Bend	trans	-87.1	10.4	180	-57	0	0	0	0	113.8	M291 C414 H415	M291-S315 VanDerWaalsContact O-CB 3.3Å; M291-S315 WeakPolarHBondContact O-CB 3.44Å; M291-S315 PolarHBondContact O-N 2.98Å; M291-S315 PolarHBondContact O-OG 3.23Å; S315-C414 WeakPolarHBondContact CB-O 3.11Å; S315-C414 PolarHBondContact OG-O 2.94Å; S315-H415 PolarHBondContact OG-ND1 3.11Å
316	G	85.8	Confident	86.4	Confident	3 Å²	3	54.1 Å²	54.1	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-179.4	-168.9	0	0	0	0	0	111.8	M291 L314 N353 S389	M291-G316 WeakPolarHBondContact CE-O 3.46Å; L314-G316 PolarHBondContact O-N 2.9Å; G316-N353 PolarHBondContact O-OD1 3.29Å; G316-S389 CarbonylContact C-O 3.57Å; G316-S389 WeakPolarHBondContact CA-O 3.4Å
317	E	88.4	Confident	87.2	Confident	67 Å²	67	51.1 Å²	51.1	31%	0.313	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.1	-170.5	-73.3	149.8	-108.6	0	0	110.1	N353 S389	E317-N353 HydrophobicContact CG-CB 3.61Å; E317-N353 PolarHBondContact OE1-ND2 2.98Å; E317-S389 PolarHBondContact N-O 2.98Å; E317-S389 PolarHBondContact O-N 3.37Å
318	V	87.6	Confident	87.3	Confident	19 Å²	19	49.7 Å²	49.7	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.7	166.8	-176.9	0	0	0	0	107.9	S324 Q325 T328 V330 L388	V318-S324 WeakPolarHBondContact CG1-O 3.26Å; V318-Q325 HydrophobicContact CG1-CG 4.42Å; V318-Q325 PolarHBondContact O-NE2 2.84Å; V318-T328 HydrophobicContact CG2-CG2 4.18Å; V318-V330 HydrophobicContact CG2-CG2 3.77Å; V318-L388 HydrophobicContact CB-CD2 4.44Å; V318-L388 HydrophobicContact CG2-CD2 3.92Å
319	K	87.6	Confident	87.3	Confident	47 Å²	47	52.7 Å²	52.7	20%	0.204	28%	0.283	C	S	.	.			trans	-61.2	141.9	179	-69.7	174.7	-179.6	176	0	109.9	N321 S324 Q325 D386 Y387 L388 D450	K319-N321 PolarHBondContact O-N 2.98Å; K319-S324 WeakPolarHBondContact O-CB 2.99Å; K319-Q325 PolarHBondContact O-NE2 2.8Å; K319-D386 WeakPolarHBondContact CE-O 3.27Å; K319-D386 PolarHBondContact NZ-O 3.45Å; K319-Y387 WeakPolarHBondContact CB-O 3.38Å; K319-Y387 WeakPolarHBondContact CG-O 3.34Å; K319-Y387 PolarHBondContact N-O 2.85Å; K319-L388 VanDerWaalsContact CE-O 3.26Å; K319-L388 WeakPolarHBondContact CE-O 3.47Å; K319-D450 PolarHBondContact NZ-O 3.43Å; K319-D450 VanDerWaalsContact NZ-O 3.15Å
320	D	82.4	Confident	87.3	Confident	151 Å²	151	51.8 Å²	51.8	81%	0.807	28%	0.275	S	S	*	.	S	Bend	trans	-68.1	4.5	-177.9	-60.4	-54.8	0	0	0	114.6
321	N	86.1	Confident	87.3	Confident	94 Å²	94	52.1 Å²	52.1	50%	0.503	28%	0.277	S	S	.	.	S	Bend	trans	-71.8	135.7	174.6	-63	-8.4	0	0	0	110	K319 E323 S324 Q325	K319-N321 PolarHBondContact O-N 2.98Å; N321-E323 VanDerWaalsContact C-N 3.27Å; N321-E323 PolarHBondContact O-N 3.25Å; N321-S324 WeakPolarHBondContact O-CB 3.06Å; N321-S324 PolarHBondContact O-N 2.88Å; N321-Q325 PolarHBondContact O-N 3.04Å
322	P	83.4	Confident	87.2	Confident	104 Å²	104	49 Å²	49	68%	0.675	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-36.9	-175.1	22.5	-33.5	0	0	0	112.9	S324 Q325 V326	P322-S324 VanDerWaalsContact C-N 3.32Å; P322-S324 PolarHBondContact O-N 3.16Å; P322-Q325 PolarHBondContact O-N 3.27Å; P322-V326 WeakPolarHBondContact O-CG2 3.5Å; P322-V326 PolarHBondContact O-N 3.38Å
323	E	83.9	Confident	87.3	Confident	139 Å²	139	50.1 Å²	50.1	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-58.5	-41.6	173.7	-61.9	176.3	174.5	0	0	112.5	N321 M327	N321-E323 VanDerWaalsContact C-N 3.27Å; N321-E323 PolarHBondContact O-N 3.25Å; E323-M327 VanDerWaalsContact O-CB 3.26Å; E323-M327 WeakPolarHBondContact O-CB 3.33Å; E323-M327 WeakPolarHBondContact O-CG 3.45Å; E323-M327 PolarHBondContact O-N 3.07Å
324	S	83.3	Confident	87.4	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-40.3	-177.1	-59.3	0	0	0	0	111.4	V318 K319 N321 P322 T328 Y387	V318-S324 WeakPolarHBondContact CG1-O 3.26Å; K319-S324 WeakPolarHBondContact O-CB 2.99Å; N321-S324 WeakPolarHBondContact O-CB 3.06Å; N321-S324 PolarHBondContact O-N 2.88Å; P322-S324 VanDerWaalsContact C-N 3.32Å; P322-S324 PolarHBondContact O-N 3.16Å; S324-T328 WeakPolarHBondContact O-CB 3.47Å; S324-T328 PolarHBondContact O-N 2.93Å; S324-T328 PolarHBondContact O-OG1 2.98Å; S324-Y387 WeakPolarHBondContact OG-CD1 3.45Å
325	Q	84.4	Confident	87.5	Confident	98 Å²	98	50 Å²	50	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-32.5	177.3	-62.5	-67.3	-17.6	0	0	113	V318 K319 N321 P322	V318-Q325 HydrophobicContact CG1-CG 4.42Å; V318-Q325 PolarHBondContact O-NE2 2.84Å; K319-Q325 PolarHBondContact O-NE2 2.8Å; N321-Q325 PolarHBondContact O-N 3.04Å; P322-Q325 PolarHBondContact O-N 3.27Å
326	V	84.8	Confident	87.6	Confident	111 Å²	111	53.7 Å²	53.7	67%	0.673	29%	0.29	S	S	*	.	H	α-helix	trans	-81.1	-37.8	176.3	172.4	0	0	0	0	112.1	P322	P322-V326 WeakPolarHBondContact O-CG2 3.5Å; P322-V326 PolarHBondContact O-N 3.38Å
327	M	86.2	Confident	87.7	Confident	36 Å²	36	60.5 Å²	60.5	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-82.6	-23.6	-177.4	-65.1	-64.4	178	0	0	113.7	E323 A374 S375 A376 Y387	E323-M327 VanDerWaalsContact O-CB 3.26Å; E323-M327 WeakPolarHBondContact O-CB 3.33Å; E323-M327 WeakPolarHBondContact O-CG 3.45Å; E323-M327 PolarHBondContact O-N 3.07Å; M327-A374 CarbonylContact O-C 3.54Å; M327-A374 VanDerWaalsContact O-CA 3.3Å; M327-A374 WeakPolarHBondContact O-CA 3.46Å; M327-S375 PolarHBondContact O-N 2.77Å; M327-S375 PolarHBondContact O-OG 2.96Å; M327-A376 HydrophobicContact SD-CB 4.44Å; M327-Y387 HydrophobicContact CB-CD2 4.44Å; M327-Y387 HydrophobicContact CB-CE2 3.95Å
328	T	87.4	Confident	87.6	Confident	8 Å²	8	61.8 Å²	61.8	5%	0.049	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.8	-172.3	-43.9	0	0	0	0	112.4	V318 S324 A372 E373 V384 Y387 L388	V318-T328 HydrophobicContact CG2-CG2 4.18Å; S324-T328 WeakPolarHBondContact O-CB 3.47Å; S324-T328 PolarHBondContact O-N 2.93Å; S324-T328 PolarHBondContact O-OG1 2.98Å; T328-A372 HydrophobicContact CG2-CB 4.08Å; T328-E373 WeakPolarHBondContact CA-O 3.47Å; T328-V384 HydrophobicContact CG2-CG1 3.74Å; T328-Y387 VanDerWaalsContact OG1-CB 3.31Å; T328-Y387 WeakPolarHBondContact OG1-CB 3.36Å; T328-L388 HydrophobicContact CG2-CD2 4.04Å
329	T	89.1	Confident	87.5	Confident	64 Å²	64	67.1 Å²	67.1	39%	0.393	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.1	171	68.9	0	0	0	0	110.8	A372 E373	T329-A372 CarbonylContact O-C 3.6Å; T329-A372 WeakPolarHBondContact O-CA 3.36Å; T329-E373 PolarHBondContact N-O 2.99Å; T329-E373 PolarHBondContact O-N 3.23Å
330	V	91.4	Very high	87.4	Confident	26 Å²	26	65.3 Å²	65.3	16%	0.158	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.4	178.4	179.6	0	0	0	0	109.1	M291 L314 V318 V350 V371 A372	M291-V330 HydrophobicContact CE-CG2 4.33Å; M291-V330 HydrophobicContact CG-CG1 4.43Å; L314-V330 HydrophobicContact CD1-CG1 3.77Å; V318-V330 HydrophobicContact CG2-CG2 3.77Å; V330-V350 HydrophobicContact CB-CG2 4.25Å; V330-V350 HydrophobicContact CG1-CG2 4.1Å; V330-V371 WeakPolarHBondContact CA-O 3.5Å; V330-A372 HydrophobicContact CG2-CB 4.08Å
331	F	91.9	Very high	87.7	Confident	9 Å²	9	63.6 Å²	63.6	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	165.6	-175.7	55.3	-92.9	0	0	0	113.4	M333 K344 A370 V371 E373	F331-M333 HydrophobicContact CD2-CG 3.94Å; F331-M333 HydrophobicContact CE2-CG 3.69Å; F331-M333 HydrophobicContact CE2-SD 4.05Å; F331-K344 HydrophobicContact CD1-CD 4.33Å; F331-K344 VanDerWaalsContact CD1-NZ 3.35Å; F331-K344 HydrophobicContact CD2-CB 4.34Å; F331-K344 HydrophobicContact CD2-CD 3.77Å; F331-K344 HydrophobicContact CD2-CG 3.55Å; F331-K344 HydrophobicContact CE1-CD 4.17Å; F331-K344 VanDerWaalsContact CE1-CE 3.47Å; F331-K344 HydrophobicContact CE2-CB 4.19Å; F331-K344 HydrophobicContact CE2-CD 3.58Å; F331-K344 HydrophobicContact CE2-CG 3.7Å; F331-K344 HydrophobicContact CG-CD 4.14Å; F331-K344 VanDerWaalsContact CG-CE 3.48Å; F331-K344 HydrophobicContact CG-CG 4.16Å; F331-K344 HydrophobicContact CZ-CD 3.79Å; F331-K344 HydrophobicContact CZ-CG 4.43Å; F331-A370 WeakPolarHBondContact O-CA 3.39Å; F331-V371 HydrophobicContact CD1-CG2 4.48Å; F331-V371 HydrophobicContact CD2-CG2 3.71Å; F331-V371 HydrophobicContact CE1-CG2 4.15Å; F331-V371 HydrophobicContact CE2-CG2 3.33Å; F331-V371 HydrophobicContact CG-CG2 4.3Å; F331-V371 HydrophobicContact CZ-CG2 3.58Å; F331-V371 PolarHBondContact N-O 3.39Å; F331-V371 PolarHBondContact O-N 3.11Å; F331-E373 HydrophobicContact CE1-CB 3.58Å; F331-E373 HydrophobicContact CE1-CG 4.37Å; F331-E373 WeakPolarHBondContact CE1-OE2 3.5Å; F331-E373 HydrophobicContact CZ-CB 3.99Å; F331-E373 WeakPolarHBondContact CZ-OE2 3.19Å
332	G	92.1	Very high	87.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.1	173.1	0	0	0	0	0	112.9	M345 M357	G332-M345 WeakPolarHBondContact O-CB 3.01Å; G332-M345 PolarHBondContact O-N 3.14Å; G332-M357 VanDerWaalsContact CA-SD 3.54Å
333	M	92.4	Very high	88.2	Confident	23 Å²	23	59.6 Å²	59.6	11%	0.113	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.5	167.4	-57.9	-172	86.9	0	0	110.8	L283 F331 Y342 T343 V368 I369 V371	L283-M333 HydrophobicContact CD1-SD 3.95Å; F331-M333 HydrophobicContact CD2-CG 3.94Å; F331-M333 HydrophobicContact CE2-CG 3.69Å; F331-M333 HydrophobicContact CE2-SD 4.05Å; M333-Y342 HydrophobicContact CB-CD1 4.22Å; M333-T343 CarbonylContact C-O 3.51Å; M333-T343 VanDerWaalsContact CA-O 3.27Å; M333-T343 WeakPolarHBondContact CA-O 2.11Å; M333-V368 WeakPolarHBondContact O-CA 3.43Å; M333-I369 HydrophobicContact CB-CG2 4.27Å; M333-I369 PolarHBondContact N-O 3.33Å; M333-I369 PolarHBondContact O-N 3.14Å; M333-V371 HydrophobicContact CG-CG1 4.48Å; M333-V371 HydrophobicContact CG-CG2 3.89Å; M333-V371 HydrophobicContact SD-CG1 4.02Å; M333-V371 HydrophobicContact SD-CG2 3.78Å
334	V	91.9	Very high	88.5	Confident	36 Å²	36	58 Å²	58	22%	0.218	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.5	178.9	64.9	0	0	0	0	111.3	Y342 T343 M345 F366 F367 V368	V334-Y342 WeakPolarHBondContact O-CA 3.43Å; V334-T343 PolarHBondContact N-O 3.28Å; V334-T343 PolarHBondContact O-N 2.92Å; V334-T343 PolarHBondContact O-OG1 3.48Å; V334-M345 HydrophobicContact CB-CG 4.26Å; V334-M345 HydrophobicContact CB-SD 4.26Å; V334-M345 HydrophobicContact CG1-CG 4.02Å; V334-F366 HydrophobicContact CG2-CB 4.4Å; V334-F366 HydrophobicContact CG2-CD2 4Å; V334-F366 HydrophobicContact CG2-CG 4.5Å; V334-F367 CarbonylContact C-O 3.53Å; V334-F367 VanDerWaalsContact CA-O 3.31Å; V334-F367 WeakPolarHBondContact CA-O 3.32Å; V334-V368 HydrophobicContact CG2-CG2 4.43Å
335	S	91.4	Very high	88.7	Confident	6 Å²	6	58.7 Å²	58.7	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.1	170.4	-169.8	0	0	0	0	112.6	K337 G340 P341 Y342 F366 F367	S335-K337 VanDerWaalsContact C-N 3.27Å; S335-K337 WeakPolarHBondContact CB-O 3.39Å; S335-K337 PolarHBondContact OG-N 2.7Å; S335-K337 PolarHBondContact OG-O 3.28Å; S335-K337 VanDerWaalsContact OG-O 3.11Å; S335-G340 WeakPolarHBondContact OG-CA 3.35Å; S335-P341 VanDerWaalsContact CB-O 3.23Å; S335-P341 WeakPolarHBondContact CB-O 3.44Å; S335-P341 PolarHBondContact OG-O 2.9Å; S335-Y342 VanDerWaalsContact CB-CE1 3.48Å; S335-F366 CarbonylContact O-C 3.58Å; S335-F366 WeakPolarHBondContact O-CA 3.35Å; S335-F366 WeakPolarHBondContact O-CB 3.43Å; S335-F367 PolarHBondContact N-O 2.83Å; S335-F367 PolarHBondContact O-N 2.92Å
336	N	88.6	Confident	88.4	Confident	82 Å²	82	61.3 Å²	61.3	44%	0.439	32%	0.321	S	S	.	.	S	Bend	trans	-84	-0.7	172.8	-52.1	-63.5	0	0	0	112.7	K363	N336-K363 PolarHBondContact ND2-NZ 2.88Å; N336-K363 VanDerWaalsContact OD1-CD 3.26Å; N336-K363 WeakPolarHBondContact OD1-CD 3.47Å; N336-K363 WeakPolarHBondContact OD1-CE 3.48Å
337	K	87.4	Confident	88.3	Confident	146 Å²	146	59.4 Å²	59.4	64%	0.635	31%	0.307	S	S	*	.	S	Bend	trans	-142.9	139.5	-179.2	-66.3	178.8	-179.6	177.8	0	110.1	S335 H339 G340 F367	S335-K337 VanDerWaalsContact C-N 3.27Å; S335-K337 WeakPolarHBondContact CB-O 3.39Å; S335-K337 PolarHBondContact OG-N 2.7Å; S335-K337 PolarHBondContact OG-O 3.28Å; S335-K337 VanDerWaalsContact OG-O 3.11Å; K337-H339 PolarHBondContact O-N 2.69Å; K337-G340 WeakPolarHBondContact CB-O 3.4Å; K337-G340 PolarHBondContact O-N 2.78Å; K337-F367 VanDerWaalsContact C-CD2 3.5Å
338	R	87	Confident	88.3	Confident	94 Å²	94	59.6 Å²	59.6	36%	0.355	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.8	179.7	-176.4	173.6	175.6	-139.4	-8.6	114.8	L294 Y342 F367	L294-R338 HydrophobicContact CD2-CG 4Å; R338-Y342 PolarHBondContact O-OH 3.36Å; R338-Y342 VanDerWaalsContact O-OH 3.05Å; R338-F367 HydrophobicContact CB-CD1 4.28Å; R338-F367 HydrophobicContact CB-CD2 4.5Å; R338-F367 HydrophobicContact CB-CE1 3.83Å; R338-F367 HydrophobicContact CB-CE2 4.1Å; R338-F367 HydrophobicContact CB-CZ 3.75Å; R338-F367 HydrophobicContact CG-CE1 4.19Å; R338-F367 VanDerWaalsContact N-CE2 3.3Å
339	H	85.6	Confident	88.3	Confident	131 Å²	131	66 Å²	66	61%	0.606	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	9.5	-179.1	-55.2	115.2	0	0	0	113.2	K337	K337-H339 PolarHBondContact O-N 2.69Å
340	G	85.1	Confident	88.2	Confident	10 Å²	10	65.4 Å²	65.4	10%	0.103	33%	0.332	C	S	.	.			trans	86.1	-171	-177.9	0	0	0	0	0	114.8	S335 K337	S335-G340 WeakPolarHBondContact OG-CA 3.35Å; K337-G340 WeakPolarHBondContact CB-O 3.4Å; K337-G340 PolarHBondContact O-N 2.78Å
341	P	88.6	Confident	87.8	Confident	115 Å²	115	67.6 Å²	67.6	75%	0.747	34%	0.343	S	S	*	.			cis	-66	146.2	3.1	28.4	-36	0	0	0	112.5	S335	S335-P341 VanDerWaalsContact CB-O 3.23Å; S335-P341 WeakPolarHBondContact CB-O 3.44Å; S335-P341 PolarHBondContact OG-O 2.9Å
342	Y	90	Very high	87.2	Confident	32 Å²	32	75 Å²	75	13%	0.125	38%	0.375	C	S	.	.			trans	-99	134.9	175.7	-79.4	-90.6	0	0	0	110	P280 L294 M333 V334 S335 R338 F367 I369	P280-Y342 HydrophobicContact CB-CE2 3.79Å; P280-Y342 HydrophobicContact CG-CD2 4.46Å; P280-Y342 HydrophobicContact CG-CE2 3.52Å; P280-Y342 WeakPolarHBondContact CG-OH 3.44Å; L294-Y342 HydrophobicContact CD1-CE1 4.3Å; L294-Y342 WeakPolarHBondContact CD1-OH 3.18Å; M333-Y342 HydrophobicContact CB-CD1 4.22Å; V334-Y342 WeakPolarHBondContact O-CA 3.43Å; S335-Y342 VanDerWaalsContact CB-CE1 3.48Å; R338-Y342 PolarHBondContact O-OH 3.36Å; R338-Y342 VanDerWaalsContact O-OH 3.05Å; Y342-F367 HydrophobicContact CE1-CB 4.26Å; Y342-I369 HydrophobicContact CD1-CG2 4.12Å; Y342-I369 HydrophobicContact CE1-CG2 4.04Å
343	T	90.5	Very high	86.9	Confident	82 Å²	82	76 Å²	76	50%	0.503	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.9	178.7	49.3	0	0	0	0	110.5	M333 V334	M333-T343 CarbonylContact C-O 3.51Å; M333-T343 VanDerWaalsContact CA-O 3.27Å; M333-T343 WeakPolarHBondContact CA-O 2.11Å; V334-T343 PolarHBondContact N-O 3.28Å; V334-T343 PolarHBondContact O-N 2.92Å; V334-T343 PolarHBondContact O-OG1 3.48Å
344	K	90.4	Very high	86.8	Confident	104 Å²	104	76.8 Å²	76.8	45%	0.452	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.9	174.5	-173.5	157.8	-171.4	161.1	0	109.9	F331 E373	F331-K344 HydrophobicContact CD1-CD 4.33Å; F331-K344 VanDerWaalsContact CD1-NZ 3.35Å; F331-K344 HydrophobicContact CD2-CB 4.34Å; F331-K344 HydrophobicContact CD2-CD 3.77Å; F331-K344 HydrophobicContact CD2-CG 3.55Å; F331-K344 HydrophobicContact CE1-CD 4.17Å; F331-K344 VanDerWaalsContact CE1-CE 3.47Å; F331-K344 HydrophobicContact CE2-CB 4.19Å; F331-K344 HydrophobicContact CE2-CD 3.58Å; F331-K344 HydrophobicContact CE2-CG 3.7Å; F331-K344 HydrophobicContact CG-CD 4.14Å; F331-K344 VanDerWaalsContact CG-CE 3.48Å; F331-K344 HydrophobicContact CG-CG 4.16Å; F331-K344 HydrophobicContact CZ-CD 3.79Å; F331-K344 HydrophobicContact CZ-CG 4.43Å; K344-E373 IonicContact NZ-OE2 3.06Å; K344-E373 PolarHBondContact NZ-OE2 2.9Å
345	M	86.8	Confident	86.8	Confident	20 Å²	20	75 Å²	75	10%	0.099	38%	0.376	C	S	.	.			trans	-86	141.8	173.2	-65.8	-177.1	64.2	0	0	110	G332 V334 M357 K358 L359 V368	G332-M345 WeakPolarHBondContact O-CB 3.01Å; G332-M345 PolarHBondContact O-N 3.14Å; V334-M345 HydrophobicContact CB-CG 4.26Å; V334-M345 HydrophobicContact CB-SD 4.26Å; V334-M345 HydrophobicContact CG1-CG 4.02Å; M345-M357 HydrophobicContact CE-CB 3.92Å; M345-M357 HydrophobicContact SD-CB 4.28Å; M345-M357 HydrophobicContact SD-CG 4.47Å; M345-M357 HydrophobicContact SD-SD 3.87Å; M345-K358 WeakPolarHBondContact CE-O 3.37Å; M345-L359 HydrophobicContact CE-CD2 3.75Å; M345-L359 HydrophobicContact CE-CG 4.43Å; M345-L359 HydrophobicContact SD-CD2 4.13Å; M345-V368 HydrophobicContact SD-CG1 4.38Å
346	N	78	Confident	86.9	Confident	153 Å²	153	80.4 Å²	80.4	82%	0.818	40%	0.395	S	S	*	.	S	Bend	trans	-82.2	-46.4	176.8	-61	-22.8	0	0	0	111.1	C348	N346-C348 PolarHBondContact O-N 2.84Å
347	D	82.3	Confident	87.1	Confident	71 Å²	71	76.6 Å²	76.6	38%	0.38	38%	0.375	S	S	.	.	S	Bend	trans	-86.4	71.1	-177.2	-73.1	2	0	0	0	111.8	M357 K358 Q360	D347-M357 WeakPolarHBondContact O-CA 3.23Å; D347-K358 HydrophobicContact CB-CB 3.84Å; D347-K358 HydrophobicContact CB-CG 4.46Å; D347-K358 PolarHBondContact O-N 3.25Å; D347-Q360 PolarHBondContact OD2-NE2 2.66Å
348	C	86.8	Confident	87.2	Confident	39 Å²	39	74.8 Å²	74.8	26%	0.264	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.7	168.7	63.2	0	0	0	0	112.5	N346 I355 R356 M357	N346-C348 PolarHBondContact O-N 2.84Å; C348-I355 HydrophobicContact CB-CD1 4.16Å; C348-I355 HydrophobicContact CB-CG1 4.42Å; C348-R356 WeakPolarHBondContact CA-O 3.48Å; C348-M357 HydrophobicContact CB-CG 4.08Å
349	Y	87.7	Confident	87.3	Confident	142 Å²	142	70.5 Å²	70.5	56%	0.557	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.9	176	176.7	-104.4	0	0	0	109.6	D351 I355 R356	Y349-D351 HydrophobicContact CE1-CB 3.91Å; Y349-I355 CarbonylContact O-C 3.6Å; Y349-I355 WeakPolarHBondContact O-CA 3.22Å; Y349-R356 PolarHBondContact N-O 3.42Å; Y349-R356 PolarHBondContact O-N 3.35Å
350	V	86.9	Confident	86.9	Confident	53 Å²	53	69.7 Å²	69.7	32%	0.321	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122	-179.3	-177.4	0	0	0	0	109	V330 I355	V330-V350 HydrophobicContact CB-CG2 4.25Å; V330-V350 HydrophobicContact CG1-CG2 4.1Å; V350-I355 HydrophobicContact CG2-CB 4.23Å; V350-I355 HydrophobicContact CG2-CD1 3.87Å; V350-I355 HydrophobicContact CG2-CG1 3.84Å
351	D	82.6	Confident	86.2	Confident	71 Å²	71	76.5 Å²	76.5	38%	0.38	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	100.6	171.8	178.5	11.8	0	0	0	108.3	Y349 N353 V354	Y349-D351 HydrophobicContact CE1-CB 3.91Å; D351-N353 PolarHBondContact O-N 2.8Å; D351-V354 PolarHBondContact N-O 3.42Å; D351-V354 PolarHBondContact O-N 3.15Å
352	K	80.2	Confident	85.6	Confident	166 Å²	166	71.9 Å²	71.9	72%	0.722	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-91.5	-176.6	-57.3	171.2	-174.1	178.2	0	113.1
353	N	85.6	Confident	85.2	Confident	19 Å²	19	75.3 Å²	75.3	10%	0.102	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	14.9	-174.1	-155.2	-20.7	0	0	0	111.9	K313 L314 G316 E317 D351	K313-N353 CarbonylContact C-O 3.46Å; K313-N353 WeakPolarHBondContact CA-O 3.48Å; K313-N353 VanDerWaalsContact CG-O 3.31Å; K313-N353 WeakPolarHBondContact CG-O 2.93Å; L314-N353 WeakPolarHBondContact CA-OD1 3.17Å; L314-N353 WeakPolarHBondContact CB-OD1 3.22Å; L314-N353 PolarHBondContact N-O 3.15Å; L314-N353 PolarHBondContact N-OD1 2.94Å; L314-N353 PolarHBondContact O-OD1 3.43Å; G316-N353 PolarHBondContact O-OD1 3.29Å; E317-N353 HydrophobicContact CG-CB 3.61Å; E317-N353 PolarHBondContact OE1-ND2 2.98Å; D351-N353 PolarHBondContact O-N 2.8Å
354	V	90.4	Very high	84.9	Confident	40 Å²	40	74.7 Å²	74.7	24%	0.242	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.4	177.6	-179.5	0	0	0	0	108.8	E311 M312 D351	E311-V354 HydrophobicContact CG-CG1 3.43Å; E311-V354 VanDerWaalsContact CG-CG1 3.43Å; M312-V354 WeakPolarHBondContact O-CA 3.41Å; D351-V354 PolarHBondContact N-O 3.42Å; D351-V354 PolarHBondContact O-N 3.15Å
355	I	92	Very high	85	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.4	171.7	-172.4	169.5	0	0	0	109.7	E311 M312 L314 C348 Y349 V350 M357 A370	E311-I355 WeakPolarHBondContact CA-O 3.32Å; M312-I355 HydrophobicContact CG-CG2 3.32Å; M312-I355 PolarHBondContact N-O 2.79Å; M312-I355 PolarHBondContact O-N 2.7Å; M312-I355 HydrophobicContact SD-CG2 4.03Å; L314-I355 HydrophobicContact CD2-CB 4.26Å; L314-I355 HydrophobicContact CD2-CG2 3.54Å; L314-I355 HydrophobicContact CG-CG2 4.29Å; C348-I355 HydrophobicContact CB-CD1 4.16Å; C348-I355 HydrophobicContact CB-CG1 4.42Å; Y349-I355 CarbonylContact O-C 3.6Å; Y349-I355 WeakPolarHBondContact O-CA 3.22Å; V350-I355 HydrophobicContact CG2-CB 4.23Å; V350-I355 HydrophobicContact CG2-CD1 3.87Å; V350-I355 HydrophobicContact CG2-CG1 3.84Å; I355-M357 HydrophobicContact CD1-CE 4.19Å; I355-M357 HydrophobicContact CD1-CG 4.27Å; I355-M357 HydrophobicContact CG1-CE 4.28Å; I355-M357 HydrophobicContact CG1-CG 4.07Å; I355-M357 HydrophobicContact CG2-CE 3.69Å; I355-A370 HydrophobicContact CD1-CB 4.34Å; I355-A370 HydrophobicContact CG2-CB 4.09Å
356	R	93.3	Very high	85.2	Confident	119 Å²	119	72.6 Å²	72.6	45%	0.449	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.5	172.5	-70.8	178	172.6	135.1	7.7	108.6	L310 E311 C348 Y349	L310-R356 CarbonylContact O-C 3.53Å; L310-R356 WeakPolarHBondContact O-CA 3.31Å; E311-R356 HydrophobicContact CB-CG 4.37Å; E311-R356 HydrophobicContact CG-CG 4.12Å; E311-R356 IonicContact OE2-CZ 3.95Å; E311-R356 IonicContact OE2-NE 2.84Å; E311-R356 PolarHBondContact OE2-NE 2.87Å; E311-R356 IonicContact OE2-NH2 2.66Å; E311-R356 PolarHBondContact OE2-NH2 3.22Å; C348-R356 WeakPolarHBondContact CA-O 3.48Å; Y349-R356 PolarHBondContact N-O 3.42Å; Y349-R356 PolarHBondContact O-N 3.35Å
357	M	92	Very high	85.9	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.5	-179.4	-59.3	177.1	-123.3	0	0	110.1	S309 L310 M312 G332 M345 D347 C348 I355 V368 A370	S309-M357 WeakPolarHBondContact CA-O 3.46Å; L310-M357 HydrophobicContact CD2-CE 4.37Å; L310-M357 PolarHBondContact N-O 3.47Å; L310-M357 PolarHBondContact O-N 2.87Å; M312-M357 HydrophobicContact CE-CE 3.56Å; M312-M357 HydrophobicContact CG-CE 4.04Å; M312-M357 HydrophobicContact SD-CE 3.55Å; M312-M357 VanDerWaalsContact SD-CE 3.55Å; G332-M357 VanDerWaalsContact CA-SD 3.54Å; M345-M357 HydrophobicContact CE-CB 3.92Å; M345-M357 HydrophobicContact SD-CB 4.28Å; M345-M357 HydrophobicContact SD-CG 4.47Å; M345-M357 HydrophobicContact SD-SD 3.87Å; D347-M357 WeakPolarHBondContact O-CA 3.23Å; C348-M357 HydrophobicContact CB-CG 4.08Å; I355-M357 HydrophobicContact CD1-CE 4.19Å; I355-M357 HydrophobicContact CD1-CG 4.27Å; I355-M357 HydrophobicContact CG1-CE 4.28Å; I355-M357 HydrophobicContact CG1-CG 4.07Å; I355-M357 HydrophobicContact CG2-CE 3.69Å; M357-V368 HydrophobicContact CE-CG1 4.11Å; M357-V368 HydrophobicContact SD-CG1 3.64Å; M357-A370 HydrophobicContact CE-CB 4.36Å
358	K	90.1	Very high	86.4	Confident	107 Å²	107	62.3 Å²	62.3	47%	0.465	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.2	167.5	-66	-176.9	176.1	-177.9	0	109.5	M345 D347 Q360	M345-K358 WeakPolarHBondContact CE-O 3.37Å; D347-K358 HydrophobicContact CB-CB 3.84Å; D347-K358 HydrophobicContact CB-CG 4.46Å; D347-K358 PolarHBondContact O-N 3.25Å; K358-Q360 PolarHBondContact O-N 3Å
359	L	87.4	Confident	86.7	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	103.2	177.3	-63.3	165.3	0	0	0	108.8	I256 C307 L308 L310 M345 L362 F366 V368	I256-L359 HydrophobicContact CD1-CD1 3.83Å; C307-L359 WeakPolarHBondContact CA-O 3.44Å; C307-L359 VanDerWaalsContact CB-O 3.3Å; C307-L359 WeakPolarHBondContact CB-O 3.45Å; L308-L359 HydrophobicContact CB-CB 4.24Å; L308-L359 HydrophobicContact CB-CD1 4.33Å; L308-L359 PolarHBondContact N-O 2.88Å; L308-L359 PolarHBondContact O-N 2.8Å; L310-L359 HydrophobicContact CB-CD1 3.87Å; L310-L359 HydrophobicContact CB-CG 4.38Å; L310-L359 HydrophobicContact CD2-CD1 4.26Å; M345-L359 HydrophobicContact CE-CD2 3.75Å; M345-L359 HydrophobicContact CE-CG 4.43Å; M345-L359 HydrophobicContact SD-CD2 4.13Å; L359-L362 HydrophobicContact CB-CD2 3.62Å; L359-L362 WeakPolarHBondContact O-CD2 3.37Å; L359-F366 HydrophobicContact CD1-CE2 4.01Å; L359-F366 HydrophobicContact CD1-CZ 4.15Å; L359-F366 HydrophobicContact CD2-CE2 3.96Å; L359-V368 HydrophobicContact CD2-CG2 3.81Å
360	Q	77.3	Confident	86.9	Confident	114 Å²	114	53.7 Å²	53.7	53%	0.533	26%	0.259	S	S	.	.			trans	-96.5	171.6	169.1	-69.5	161	8.7	0	0	109.7	C307 D347 K358 L362	C307-Q360 HydrophobicContact CB-CG 3.97Å; D347-Q360 PolarHBondContact OD2-NE2 2.66Å; K358-Q360 PolarHBondContact O-N 3Å; Q360-L362 PolarHBondContact O-N 3.14Å
361	D	72.3	Confident	87.2	Confident	152 Å²	152	51.2 Å²	51.2	81%	0.813	24%	0.244	S	C	*	.	S	Bend	trans	48.1	44.2	179.6	-60.7	-21.2	0	0	0	114.3	K363	D361-K363 PolarHBondContact O-N 3.36Å
362	L	74.6	Confident	87.6	Confident	19 Å²	19	47.8 Å²	47.8	10%	0.099	23%	0.226	C	C	.	.			trans	-55.5	131.5	-175	-62.1	174.7	0	0	0	111.7	L299 I302 L308 L359 Q360 F366	L299-L362 HydrophobicContact CD1-CB 3.96Å; L299-L362 HydrophobicContact CD1-CD1 4.25Å; L299-L362 HydrophobicContact CD1-CD2 4.07Å; L299-L362 HydrophobicContact CD1-CG 4.32Å; I302-L362 WeakPolarHBondContact CG2-O 3.24Å; L308-L362 HydrophobicContact CB-CD2 4.45Å; L308-L362 HydrophobicContact CD1-CD1 4.01Å; L308-L362 HydrophobicContact CD1-CD2 4.12Å; L308-L362 HydrophobicContact CG-CD1 3.79Å; L308-L362 HydrophobicContact CG-CD2 4.28Å; L359-L362 HydrophobicContact CB-CD2 3.62Å; L359-L362 WeakPolarHBondContact O-CD2 3.37Å; Q360-L362 PolarHBondContact O-N 3.14Å; L362-F366 HydrophobicContact CD2-CE1 4.28Å; L362-F366 HydrophobicContact CD2-CZ 4.09Å
363	K	81.7	Confident	88.1	Confident	103 Å²	103	42.6 Å²	42.6	45%	0.448	20%	0.204	S	C	.	.			trans	-115.3	164.6	172.1	-51.4	-159.8	-165.7	176.3	0	110.4	N336 D361 H365 F366	N336-K363 PolarHBondContact ND2-NZ 2.88Å; N336-K363 VanDerWaalsContact OD1-CD 3.26Å; N336-K363 WeakPolarHBondContact OD1-CD 3.47Å; N336-K363 WeakPolarHBondContact OD1-CE 3.48Å; D361-K363 PolarHBondContact O-N 3.36Å; K363-H365 PolarHBondContact O-N 3.42Å; K363-H365 VanDerWaalsContact O-N 3.15Å; K363-F366 VanDerWaalsContact O-CD1 3.31Å; K363-F366 WeakPolarHBondContact O-CD1 3.26Å; K363-F366 WeakPolarHBondContact O-CE1 3.35Å
364	T	84.9	Confident	88.3	Confident	69 Å²	69	42 Å²	42	42%	0.423	20%	0.202	S	C	.	.	S	Bend	trans	-62.2	-20.7	178.5	52.4	0	0	0	0	114	L298 L299 I302	L298-T364 CarbonylContact C-O 3.58Å; L298-T364 VanDerWaalsContact CA-O 3.23Å; L298-T364 WeakPolarHBondContact CA-O 3.44Å; L299-T364 PolarHBondContact N-O 3.41Å; L299-T364 VanDerWaalsContact O-CA 3.24Å; L299-T364 WeakPolarHBondContact O-CA 3.46Å; L299-T364 WeakPolarHBondContact O-CB 3.42Å; I302-T364 HydrophobicContact CD1-CG2 3.55Å; I302-T364 HydrophobicContact CG1-CG2 3.6Å
365	H	91.3	Very high	88	Confident	72 Å²	72	44.3 Å²	44.3	33%	0.333	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	122.3	179.1	-179.4	-161.7	0	0	0	110	V297 L298 K363 F367	V297-H365 WeakPolarHBondContact O-CA 3.18Å; L298-H365 HydrophobicContact CD2-CB 4.17Å; L298-H365 HydrophobicContact CG-CB 4.33Å; K363-H365 PolarHBondContact O-N 3.42Å; K363-H365 VanDerWaalsContact O-N 3.15Å; H365-F367 AromaticContact CE1-CE2 3.88Å; H365-F367 AromaticContact CE1-CZ 3.81Å; H365-F367 AromaticContact NE2-CE2 3.41Å; H365-F367 WeakPolarHBondContact NE2-CE2 3.36Å; H365-F367 AromaticContact NE2-CZ 3.22Å; H365-F367 WeakPolarHBondContact NE2-CZ 3.14Å
366	F	91.7	Very high	87.3	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	170.8	174.9	58.4	-89	0	0	0	111.4	V297 L299 V334 S335 L359 L362 K363 V368	V297-F366 HydrophobicContact CB-CD2 4.12Å; V297-F366 HydrophobicContact CB-CE1 4.28Å; V297-F366 HydrophobicContact CB-CE2 3.72Å; V297-F366 HydrophobicContact CB-CZ 3.82Å; V297-F366 HydrophobicContact CG1-CE1 4.06Å; V297-F366 HydrophobicContact CG1-CE2 4.01Å; V297-F366 HydrophobicContact CG1-CZ 3.61Å; V297-F366 HydrophobicContact CG2-CD2 4.41Å; V297-F366 HydrophobicContact CG2-CE2 3.91Å; V297-F366 HydrophobicContact CG2-CZ 4.37Å; V297-F366 PolarHBondContact N-O 3.42Å; V297-F366 PolarHBondContact O-N 3.44Å; L299-F366 HydrophobicContact CD1-CE1 3.76Å; L299-F366 HydrophobicContact CD1-CZ 4.27Å; L299-F366 HydrophobicContact CG-CE1 4.19Å; V334-F366 HydrophobicContact CG2-CB 4.4Å; V334-F366 HydrophobicContact CG2-CD2 4Å; V334-F366 HydrophobicContact CG2-CG 4.5Å; S335-F366 CarbonylContact O-C 3.58Å; S335-F366 WeakPolarHBondContact O-CA 3.35Å; S335-F366 WeakPolarHBondContact O-CB 3.43Å; L359-F366 HydrophobicContact CD1-CE2 4.01Å; L359-F366 HydrophobicContact CD1-CZ 4.15Å; L359-F366 HydrophobicContact CD2-CE2 3.96Å; L362-F366 HydrophobicContact CD2-CE1 4.28Å; L362-F366 HydrophobicContact CD2-CZ 4.09Å; K363-F366 VanDerWaalsContact O-CD1 3.31Å; K363-F366 WeakPolarHBondContact O-CD1 3.26Å; K363-F366 WeakPolarHBondContact O-CE1 3.35Å; F366-V368 HydrophobicContact CD2-CG2 3.67Å; F366-V368 HydrophobicContact CE2-CG2 3.62Å
367	F	92.8	Very high	86.6	Confident	9 Å²	9	43.9 Å²	43.9	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	-177.2	-62.9	-92.1	0	0	0	109.5	L294 L295 E296 V334 S335 K337 R338 Y342 H365	L294-F367 HydrophobicContact CD1-CB 4.06Å; L294-F367 HydrophobicContact CD1-CD1 4.47Å; L294-F367 HydrophobicContact CD2-CD1 4.24Å; L294-F367 HydrophobicContact CG-CD1 4.31Å; L295-F367 CarbonylContact O-C 3.52Å; L295-F367 VanDerWaalsContact O-CA 3.27Å; L295-F367 WeakPolarHBondContact O-CA 3.37Å; E296-F367 HydrophobicContact CB-CD1 3.99Å; E296-F367 HydrophobicContact CB-CE1 3.75Å; E296-F367 HydrophobicContact CG-CD1 4.28Å; E296-F367 HydrophobicContact CG-CE1 3.63Å; E296-F367 HydrophobicContact CG-CZ 4.07Å; V334-F367 CarbonylContact C-O 3.53Å; V334-F367 VanDerWaalsContact CA-O 3.31Å; V334-F367 WeakPolarHBondContact CA-O 3.32Å; S335-F367 PolarHBondContact N-O 2.83Å; S335-F367 PolarHBondContact O-N 2.92Å; K337-F367 VanDerWaalsContact C-CD2 3.5Å; R338-F367 HydrophobicContact CB-CD1 4.28Å; R338-F367 HydrophobicContact CB-CD2 4.5Å; R338-F367 HydrophobicContact CB-CE1 3.83Å; R338-F367 HydrophobicContact CB-CE2 4.1Å; R338-F367 HydrophobicContact CB-CZ 3.75Å; R338-F367 HydrophobicContact CG-CE1 4.19Å; R338-F367 VanDerWaalsContact N-CE2 3.3Å; Y342-F367 HydrophobicContact CE1-CB 4.26Å; H365-F367 AromaticContact CE1-CE2 3.88Å; H365-F367 AromaticContact CE1-CZ 3.81Å; H365-F367 AromaticContact NE2-CE2 3.41Å; H365-F367 WeakPolarHBondContact NE2-CE2 3.36Å; H365-F367 AromaticContact NE2-CZ 3.22Å; H365-F367 WeakPolarHBondContact NE2-CZ 3.14Å
368	V	92.8	Very high	85.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.5	178.5	-166.1	0	0	0	0	110	L295 V297 L310 M333 V334 M345 M357 L359 F366	L295-V368 PolarHBondContact N-O 3.05Å; L295-V368 PolarHBondContact O-N 3.28Å; V297-V368 HydrophobicContact CG2-CG2 4.39Å; L310-V368 HydrophobicContact CD2-CB 3.98Å; L310-V368 HydrophobicContact CD2-CG1 3.74Å; L310-V368 HydrophobicContact CD2-CG2 4.17Å; M333-V368 WeakPolarHBondContact O-CA 3.43Å; V334-V368 HydrophobicContact CG2-CG2 4.43Å; M345-V368 HydrophobicContact SD-CG1 4.38Å; M357-V368 HydrophobicContact CE-CG1 4.11Å; M357-V368 HydrophobicContact SD-CG1 3.64Å; L359-V368 HydrophobicContact CD2-CG2 3.81Å; F366-V368 HydrophobicContact CD2-CG2 3.67Å; F366-V368 HydrophobicContact CE2-CG2 3.62Å
369	I	92.6	Very high	84.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	140.6	176.3	-166.2	161.7	0	0	0	110.5	P279 L283 T290 L294 M333 Y342	P279-I369 HydrophobicContact CB-CD1 4.44Å; L283-I369 HydrophobicContact CD2-CD1 4.21Å; L283-I369 HydrophobicContact CD2-CG2 3.85Å; T290-I369 HydrophobicContact CG2-CD1 3.35Å; T290-I369 HydrophobicContact CG2-CG1 3.97Å; L294-I369 HydrophobicContact CB-CD1 4.07Å; L294-I369 HydrophobicContact CD1-CB 4Å; L294-I369 HydrophobicContact CD1-CD1 4.15Å; L294-I369 HydrophobicContact CD1-CG2 4.46Å; M333-I369 HydrophobicContact CB-CG2 4.27Å; M333-I369 PolarHBondContact N-O 3.33Å; M333-I369 PolarHBondContact O-N 3.14Å; Y342-I369 HydrophobicContact CD1-CG2 4.12Å; Y342-I369 HydrophobicContact CE1-CG2 4.04Å
370	A	92.4	Very high	83.9	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141	171.4	0	0	0	0	0	110.5	M291 S292 M312 L314 F331 I355 M357	M291-A370 HydrophobicContact CB-CB 4.26Å; M291-A370 PolarHBondContact N-O 3.41Å; S292-A370 PolarHBondContact N-O 2.74Å; S292-A370 PolarHBondContact OG-N 2.91Å; M312-A370 HydrophobicContact SD-CB 4.09Å; L314-A370 HydrophobicContact CD2-CB 3.59Å; F331-A370 WeakPolarHBondContact O-CA 3.39Å; I355-A370 HydrophobicContact CD1-CB 4.34Å; I355-A370 HydrophobicContact CG2-CB 4.09Å; M357-A370 HydrophobicContact CE-CB 4.36Å
371	V	92.5	Very high	83.8	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.4	178	-60.3	0	0	0	0	111	L283 I288 T290 V330 F331 M333	L283-V371 HydrophobicContact CD2-CG1 4.16Å; L283-V371 HydrophobicContact CG-CG1 4.42Å; I288-V371 HydrophobicContact CG2-CB 4.16Å; I288-V371 HydrophobicContact CG2-CG1 4.41Å; I288-V371 HydrophobicContact CG2-CG2 4.48Å; T290-V371 HydrophobicContact CG2-CG1 4.13Å; V330-V371 WeakPolarHBondContact CA-O 3.5Å; F331-V371 HydrophobicContact CD1-CG2 4.48Å; F331-V371 HydrophobicContact CD2-CG2 3.71Å; F331-V371 HydrophobicContact CE1-CG2 4.15Å; F331-V371 HydrophobicContact CE2-CG2 3.33Å; F331-V371 HydrophobicContact CG-CG2 4.3Å; F331-V371 HydrophobicContact CZ-CG2 3.58Å; F331-V371 PolarHBondContact N-O 3.39Å; F331-V371 PolarHBondContact O-N 3.11Å; M333-V371 HydrophobicContact CG-CG1 4.48Å; M333-V371 HydrophobicContact CG-CG2 3.89Å; M333-V371 HydrophobicContact SD-CG1 4.02Å; M333-V371 HydrophobicContact SD-CG2 3.78Å
372	A	91.3	Very high	84.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.5	164.1	0	0	0	0	0	109.2	I288 T289 M291 T328 T329 V330 V384 L388	I288-A372 CarbonylContact C-O 3.52Å; I288-A372 WeakPolarHBondContact CA-O 3.3Å; T289-A372 PolarHBondContact N-O 3.31Å; T289-A372 PolarHBondContact O-N 2.86Å; M291-A372 HydrophobicContact CG-CB 3.69Å; M291-A372 HydrophobicContact SD-CB 3.94Å; T328-A372 HydrophobicContact CG2-CB 4.08Å; T329-A372 CarbonylContact O-C 3.6Å; T329-A372 WeakPolarHBondContact O-CA 3.36Å; V330-A372 HydrophobicContact CG2-CB 4.08Å; A372-V384 HydrophobicContact CB-CG1 4.25Å; A372-L388 HydrophobicContact CB-CD1 3.81Å; A372-L388 HydrophobicContact CB-CD2 4.17Å
373	E	91.3	Very high	84.6	Confident	57 Å²	57	46.4 Å²	46.4	27%	0.266	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.1	-177.9	177.8	169.4	-126.3	0	0	109.5	S287 I288 T328 T329 F331 K344	S287-E373 CarbonylContact O-C 3.59Å; S287-E373 VanDerWaalsContact O-CA 3.31Å; S287-E373 WeakPolarHBondContact O-CA 3.45Å; I288-E373 HydrophobicContact CG1-CB 4.27Å; I288-E373 HydrophobicContact CG1-CG 4.02Å; T328-E373 WeakPolarHBondContact CA-O 3.47Å; T329-E373 PolarHBondContact N-O 2.99Å; T329-E373 PolarHBondContact O-N 3.23Å; F331-E373 HydrophobicContact CE1-CB 3.58Å; F331-E373 HydrophobicContact CE1-CG 4.37Å; F331-E373 WeakPolarHBondContact CE1-OE2 3.5Å; F331-E373 HydrophobicContact CZ-CB 3.99Å; F331-E373 WeakPolarHBondContact CZ-OE2 3.19Å; K344-E373 IonicContact NZ-OE2 3.06Å; K344-E373 PolarHBondContact NZ-OE2 2.9Å
374	A	89.8	Confident	84.8	Confident	6 Å²	6	41.5 Å²	41.5	5%	0.05	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.6	170.2	0	0	0	0	0	110.2	S287 M327 A376 L377 V384 Y387	S287-A374 PolarHBondContact O-N 3.25Å; M327-A374 CarbonylContact O-C 3.54Å; M327-A374 VanDerWaalsContact O-CA 3.3Å; M327-A374 WeakPolarHBondContact O-CA 3.46Å; A374-A376 VanDerWaalsContact C-N 3.34Å; A374-L377 HydrophobicContact CB-CD2 3.92Å; A374-V384 HydrophobicContact CB-CB 4.4Å; A374-V384 HydrophobicContact CB-CG1 4.18Å; A374-V384 HydrophobicContact CB-CG2 3.9Å; A374-Y387 HydrophobicContact CB-CD2 4.37Å; A374-Y387 HydrophobicContact CB-CE2 4.29Å
375	S	83.5	Confident	84.8	Confident	89 Å²	89	39 Å²	39	62%	0.622	23%	0.229	S	C	*	.	S	Bend	trans	-67.3	-34.4	178.2	58.9	0	0	0	0	112.7	M327	M327-S375 PolarHBondContact O-N 2.77Å; M327-S375 PolarHBondContact O-OG 2.96Å
376	A	77.8	Confident	84.5	Confident	44 Å²	44	36.9 Å²	36.9	36%	0.364	22%	0.22	S	C	.	.			trans	-147.3	151.5	169.1	0	0	0	0	0	110.2	M327 A374	M327-A376 HydrophobicContact SD-CB 4.44Å; A374-A376 VanDerWaalsContact C-N 3.34Å
377	L	79.5	Confident	84.2	Confident	65 Å²	65	37 Å²	37	34%	0.34	22%	0.221	S	C	.	.			trans	-106.3	117.8	169.6	-65.1	174.3	0	0	0	108.3	N286 A374 Y387	N286-L377 HydrophobicContact CB-CD1 3.99Å; A374-L377 HydrophobicContact CB-CD2 3.92Å; L377-Y387 HydrophobicContact CD2-CE2 4.38Å
378	Q	73.1	Confident	84	Confident	110 Å²	110	36.9 Å²	36.9	51%	0.514	22%	0.22	S	C	.	.			trans	-110.8	132.1	178.7	-66	-173.6	-8.1	0	0	110.4	T381	Q378-T381 PolarHBondContact N-OG1 2.95Å; Q378-T381 WeakPolarHBondContact O-CB 3.5Å; Q378-T381 PolarHBondContact O-N 3.29Å; Q378-T381 PolarHBondContact O-OG1 3.36Å
379	P	69.3	Low	83.7	Confident	125 Å²	125	38.9 Å²	38.9	81%	0.812	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	134.4	173.3	-23.7	33.8	0	0	0	110.4
380	P	68.6	Low	83.4	Confident	113 Å²	113	39.3 Å²	39.3	73%	0.734	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	cis	-91.4	8.5	17	37.1	-38.3	0	0	0	115.8
381	T	75.6	Confident	83.1	Confident	29 Å²	29	40.8 Å²	40.8	18%	0.178	24%	0.243	C	C	.	.			trans	-73.2	143.5	176.3	70.1	0	0	0	0	111.4	Q378 D386 Y387	Q378-T381 PolarHBondContact N-OG1 2.95Å; Q378-T381 WeakPolarHBondContact O-CB 3.5Å; Q378-T381 PolarHBondContact O-N 3.29Å; Q378-T381 PolarHBondContact O-OG1 3.36Å; T381-D386 HydrophobicContact CG2-CB 3.9Å; T381-Y387 HydrophobicContact CG2-CD1 4.33Å; T381-Y387 HydrophobicContact CG2-CE1 3.71Å; T381-Y387 PolarHBondContact OG1-OH 3.14Å
382	T	79.4	Confident	83	Confident	76 Å²	76	40.9 Å²	40.9	47%	0.466	24%	0.244	S	C	.	.			trans	-118.2	-15.7	-178.3	68.2	0	0	0	0	112.8	D386	T382-D386 PolarHBondContact N-OD2 2.95Å; T382-D386 PolarHBondContact OG1-OD2 2.8Å
383	S	83.9	Confident	82.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-163.6	160.6	178	-179.2	0	0	0	0	110.9	N286 W385 D386	N286-S383 CarbonylContact O-C 3.55Å; N286-S383 WeakPolarHBondContact O-CA 3.48Å; N286-S383 WeakPolarHBondContact O-CB 3.49Å; N286-S383 PolarHBondContact O-OG 2.71Å; S383-W385 PolarHBondContact O-N 3Å; S383-D386 PolarHBondContact N-OD2 3.24Å; S383-D386 WeakPolarHBondContact O-CB 3.31Å; S383-D386 PolarHBondContact O-N 2.69Å
384	V	86.1	Confident	83	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-48.3	-30.8	172.6	-155.3	0	0	0	0	112.9	N286 S287 T289 T328 A372 A374 D386 Y387 L388	N286-V384 WeakPolarHBondContact O-CG2 3.48Å; N286-V384 PolarHBondContact O-N 3.41Å; S287-V384 WeakPolarHBondContact O-CG2 3.47Å; T289-V384 HydrophobicContact CG2-CB 3.76Å; T289-V384 HydrophobicContact CG2-CG1 4.24Å; T289-V384 HydrophobicContact CG2-CG2 4.08Å; T328-V384 HydrophobicContact CG2-CG1 3.74Å; A372-V384 HydrophobicContact CB-CG1 4.25Å; A374-V384 HydrophobicContact CB-CB 4.4Å; A374-V384 HydrophobicContact CB-CG1 4.18Å; A374-V384 HydrophobicContact CB-CG2 3.9Å; V384-D386 PolarHBondContact O-N 3.01Å; V384-D386 VanDerWaalsContact O-N 3.09Å; V384-Y387 PolarHBondContact O-N 3.15Å; V384-L388 HydrophobicContact CB-CD1 4.36Å; V384-L388 HydrophobicContact CG1-CD1 3.86Å; V384-L388 HydrophobicContact CG1-CG 4.2Å; V384-L388 WeakPolarHBondContact O-CG 3.46Å; V384-L388 PolarHBondContact O-N 2.75Å
385	W	84.8	Confident	83.1	Confident	17 Å²	17	37.9 Å²	37.9	6%	0.064	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-50.9	-30.5	174.6	-77.8	94.3	0	0	0	113.8	T289 S383 Y387 L388 R390 C414 L452 L482	T289-W385 PolarHBondContact OG1-NE1 3.48Å; S383-W385 PolarHBondContact O-N 3Å; W385-Y387 VanDerWaalsContact C-N 3.31Å; W385-Y387 PolarHBondContact O-N 3.43Å; W385-L388 PolarHBondContact O-N 2.95Å; W385-R390 VanDerWaalsContact CE2-NH1 3.26Å; W385-R390 HydrophobicContact CZ3-CB 3.96Å; W385-R390 HydrophobicContact CZ3-CG 4.3Å; W385-C414 HydrophobicContact CH2-CB 3.81Å; W385-C414 VanDerWaalsContact CH2-SG 3.56Å; W385-L452 HydrophobicContact CD2-CD2 3.94Å; W385-L452 HydrophobicContact CE3-CD1 4.33Å; W385-L452 HydrophobicContact CE3-CD2 4.29Å; W385-L452 HydrophobicContact CG-CD2 4.09Å; W385-L452 HydrophobicContact CZ3-CD1 4.39Å; W385-L482 WeakPolarHBondContact CZ2-O 3.49Å
386	D	85.4	Confident	83.5	Confident	27 Å²	27	33.7 Å²	33.7	14%	0.144	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.1	-27.3	177.4	-63.9	-52	0	0	0	112.4	K319 T381 T382 S383 V384	K319-D386 WeakPolarHBondContact CE-O 3.27Å; K319-D386 PolarHBondContact NZ-O 3.45Å; T381-D386 HydrophobicContact CG2-CB 3.9Å; T382-D386 PolarHBondContact N-OD2 2.95Å; T382-D386 PolarHBondContact OG1-OD2 2.8Å; S383-D386 PolarHBondContact N-OD2 3.24Å; S383-D386 WeakPolarHBondContact O-CB 3.31Å; S383-D386 PolarHBondContact O-N 2.69Å; V384-D386 PolarHBondContact O-N 3.01Å; V384-D386 VanDerWaalsContact O-N 3.09Å
387	Y	86.6	Confident	84.1	Confident	10 Å²	10	31.6 Å²	31.6	4%	0.039	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-88.8	-6.3	177	-60.4	-51.2	0	0	0	114.4	K319 S324 M327 T328 A374 L377 T381 V384 W385	K319-Y387 WeakPolarHBondContact CB-O 3.38Å; K319-Y387 WeakPolarHBondContact CG-O 3.34Å; K319-Y387 PolarHBondContact N-O 2.85Å; S324-Y387 WeakPolarHBondContact OG-CD1 3.45Å; M327-Y387 HydrophobicContact CB-CD2 4.44Å; M327-Y387 HydrophobicContact CB-CE2 3.95Å; T328-Y387 VanDerWaalsContact OG1-CB 3.31Å; T328-Y387 WeakPolarHBondContact OG1-CB 3.36Å; A374-Y387 HydrophobicContact CB-CD2 4.37Å; A374-Y387 HydrophobicContact CB-CE2 4.29Å; L377-Y387 HydrophobicContact CD2-CE2 4.38Å; T381-Y387 HydrophobicContact CG2-CD1 4.33Å; T381-Y387 HydrophobicContact CG2-CE1 3.71Å; T381-Y387 PolarHBondContact OG1-OH 3.14Å; V384-Y387 PolarHBondContact O-N 3.15Å; W385-Y387 VanDerWaalsContact C-N 3.31Å; W385-Y387 PolarHBondContact O-N 3.43Å
388	L	87.6	Confident	84.5	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.4	-170.6	-64.9	173.7	0	0	0	112.9	T289 M291 V318 K319 T328 A372 V384 W385 R390	T289-L388 HydrophobicContact CG2-CD1 3.85Å; M291-L388 HydrophobicContact CE-CD2 4.45Å; M291-L388 HydrophobicContact SD-CD1 4.1Å; M291-L388 HydrophobicContact SD-CD2 4.34Å; V318-L388 HydrophobicContact CB-CD2 4.44Å; V318-L388 HydrophobicContact CG2-CD2 3.92Å; K319-L388 VanDerWaalsContact CE-O 3.26Å; K319-L388 WeakPolarHBondContact CE-O 3.47Å; T328-L388 HydrophobicContact CG2-CD2 4.04Å; A372-L388 HydrophobicContact CB-CD1 3.81Å; A372-L388 HydrophobicContact CB-CD2 4.17Å; V384-L388 HydrophobicContact CB-CD1 4.36Å; V384-L388 HydrophobicContact CG1-CD1 3.86Å; V384-L388 HydrophobicContact CG1-CG 4.2Å; V384-L388 WeakPolarHBondContact O-CG 3.46Å; V384-L388 PolarHBondContact O-N 2.75Å; W385-L388 PolarHBondContact O-N 2.95Å; L388-R390 HydrophobicContact CB-CG 4.14Å; L388-R390 PolarHBondContact O-N 3.38Å
389	S	87.1	Confident	85	Confident	43 Å²	43	24 Å²	24	30%	0.301	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	87.9	171.3	-171.4	0	0	0	0	109.2	G316 E317	G316-S389 CarbonylContact C-O 3.57Å; G316-S389 WeakPolarHBondContact CA-O 3.4Å; E317-S389 PolarHBondContact N-O 2.98Å; E317-S389 PolarHBondContact O-N 3.37Å
390	R	85.4	Confident	85.5	Confident	9 Å²	9	24.3 Å²	24.3	3%	0.034	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	156.5	-177.3	-75.8	176.1	171.5	-174.7	-0.3	111.7	T289 T290 M291 W385 L388	T289-R390 PolarHBondContact O-NH2 3.04Å; T289-R390 VanDerWaalsContact O-NH2 3.13Å; T289-R390 PolarHBondContact OG1-NH1 2.73Å; T289-R390 PolarHBondContact OG1-NH2 2.78Å; T290-R390 PolarHBondContact O-NH2 2.86Å; M291-R390 PolarHBondContact SD-NE 3.28Å; M291-R390 VanDerWaalsContact SD-NE 3.38Å; M291-R390 PolarHBondContact SD-NH2 2.78Å; W385-R390 VanDerWaalsContact CE2-NH1 3.26Å; W385-R390 HydrophobicContact CZ3-CB 3.96Å; W385-R390 HydrophobicContact CZ3-CG 4.3Å; L388-R390 HydrophobicContact CB-CG 4.14Å; L388-R390 PolarHBondContact O-N 3.38Å
391	Q	86.9	Confident	86.1	Confident	30 Å²	30	22 Å²	22	14%	0.14	11%	0.109	C	C	.	.			trans	-105.8	150.6	171.1	62.6	-178.7	59.4	0	0	112.1	T393 S446 F447 K448	Q391-T393 PolarHBondContact NE2-OG1 3.45Å; Q391-S446 VanDerWaalsContact NE2-CB 3.31Å; Q391-S446 PolarHBondContact NE2-OG 2.84Å; Q391-F447 CarbonylContact C-O 3.55Å; Q391-F447 VanDerWaalsContact CA-O 3.27Å; Q391-F447 WeakPolarHBondContact CA-O 3.46Å; Q391-F447 WeakPolarHBondContact CB-O 3.21Å; Q391-K448 HydrophobicContact CB-CG 3.94Å
392	I	89.5	Confident	86.4	Confident	3 Å²	3	20.6 Å²	20.6	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129	164.6	-59.5	-176.9	0	0	0	107.2	V412 S446 F447 P449 L452 F455 L482	I392-V412 HydrophobicContact CG2-CG1 3.81Å; I392-S446 VanDerWaalsContact O-CA 3.27Å; I392-S446 WeakPolarHBondContact O-CA 3.33Å; I392-F447 HydrophobicContact CB-CE1 4Å; I392-F447 HydrophobicContact CB-CE2 4.22Å; I392-F447 HydrophobicContact CB-CZ 3.83Å; I392-F447 HydrophobicContact CD1-CE2 4.28Å; I392-F447 HydrophobicContact CD1-CZ 4.17Å; I392-F447 HydrophobicContact CG1-CZ 4.5Å; I392-F447 HydrophobicContact CG2-CE1 4.03Å; I392-F447 HydrophobicContact CG2-CZ 3.99Å; I392-F447 PolarHBondContact N-O 2.69Å; I392-F447 PolarHBondContact O-N 3.01Å; I392-P449 HydrophobicContact CD1-CG 3.9Å; I392-P449 HydrophobicContact CG1-CG 4.13Å; I392-L452 HydrophobicContact CD1-CD1 3.9Å; I392-F455 HydrophobicContact CD1-CE1 3.82Å; I392-F455 HydrophobicContact CD1-CZ 4.41Å; I392-F455 HydrophobicContact CG2-CZ 4.21Å; I392-L482 HydrophobicContact CD1-CD1 4.03Å
393	T	90.7	Very high	86.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.2	176.6	-57.6	0	0	0	0	109.4	Q391 C413 H415 V418 K444 H445 S446	Q391-T393 PolarHBondContact NE2-OG1 3.45Å; T393-C413 PolarHBondContact N-O 3.25Å; T393-C413 PolarHBondContact O-N 3.34Å; T393-H415 WeakPolarHBondContact CB-O 3.24Å; T393-H415 PolarHBondContact OG1-O 3.07Å; T393-V418 HydrophobicContact CG2-CG2 3.71Å; T393-K444 HydrophobicContact CG2-CB 4.17Å; T393-K444 HydrophobicContact CG2-CD 4.29Å; T393-H445 CarbonylContact C-O 3.32Å; T393-H445 WeakPolarHBondContact CA-O 3.39Å; T393-S446 WeakPolarHBondContact CG2-OG 3.36Å; T393-S446 PolarHBondContact OG1-OG 3.18Å
394	V	92.5	Very high	85.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.3	173.6	-174.3	0	0	0	0	107.3	I410 V411 V412 K444 H445 F447 I509 V511 F523	V394-I410 HydrophobicContact CG1-CG2 3.47Å; V394-I410 VanDerWaalsContact CG1-CG2 3.47Å; V394-V411 WeakPolarHBondContact CA-O 3.42Å; V394-V412 HydrophobicContact CG1-CG2 4.44Å; V394-V412 HydrophobicContact CG2-CG2 4.4Å; V394-K444 WeakPolarHBondContact O-CA 3.29Å; V394-H445 PolarHBondContact N-O 3.37Å; V394-H445 PolarHBondContact O-N 2.91Å; V394-F447 HydrophobicContact CG2-CE1 4.01Å; V394-I509 HydrophobicContact CG1-CG2 4.4Å; V394-V511 HydrophobicContact CG2-CG2 4.31Å; V394-F523 HydrophobicContact CB-CE1 4.32Å; V394-F523 HydrophobicContact CB-CZ 4.02Å; V394-F523 HydrophobicContact CG1-CE1 4.36Å; V394-F523 HydrophobicContact CG1-CZ 3.86Å
395	A	91.6	Very high	85.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.3	-173.6	0	0	0	0	0	110.8	Y397 V411 V418 L441 K444	A395-Y397 HydrophobicContact CB-CD2 4.39Å; A395-Y397 HydrophobicContact CB-CE2 3.67Å; A395-V411 HydrophobicContact CB-CB 4.41Å; A395-V411 PolarHBondContact N-O 3.22Å; A395-V411 PolarHBondContact O-N 3.21Å; A395-V418 HydrophobicContact CB-CG1 4.24Å; A395-L441 HydrophobicContact CB-CD1 3.89Å; A395-K444 HydrophobicContact CB-CB 3.9Å
396	V	92.5	Very high	85.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.6	-173.6	-173.6	0	0	0	0	109.5	V408 W442 G443 L507 I509 F523 V525	V396-V408 HydrophobicContact CG1-CG1 3.58Å; V396-W442 HydrophobicContact CB-CB 4.38Å; V396-W442 HydrophobicContact CG1-CB 4.29Å; V396-W442 HydrophobicContact CG1-CE3 4.17Å; V396-W442 PolarHBondContact O-N 2.98Å; V396-G443 PolarHBondContact N-O 2.82Å; V396-L507 HydrophobicContact CG1-CD2 3.97Å; V396-I509 HydrophobicContact CG2-CD1 3.2Å; V396-F523 HydrophobicContact CG2-CE2 4.41Å; V396-V525 HydrophobicContact CB-CG1 4.24Å; V396-V525 HydrophobicContact CB-CG2 4.49Å; V396-V525 HydrophobicContact CG1-CG1 4.39Å; V396-V525 HydrophobicContact CG2-CB 4.35Å; V396-V525 HydrophobicContact CG2-CG1 4.42Å; V396-V525 HydrophobicContact CG2-CG2 3.82Å
397	Y	89.6	Confident	85.5	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.1	179.3	-71.9	-89.3	0	0	0	110.9	A395 V408 V409 V411 V418 P419 L422 Q440 L441	A395-Y397 HydrophobicContact CB-CD2 4.39Å; A395-Y397 HydrophobicContact CB-CE2 3.67Å; Y397-V408 CarbonylContact O-C 3.54Å; Y397-V408 WeakPolarHBondContact O-CA 3.44Å; Y397-V408 WeakPolarHBondContact O-CG1 3.45Å; Y397-V409 PolarHBondContact N-O 3.08Å; Y397-V409 PolarHBondContact O-N 3.39Å; Y397-V411 HydrophobicContact CD2-CB 3.95Å; Y397-V411 HydrophobicContact CD2-CG2 3.47Å; Y397-V411 VanDerWaalsContact CD2-CG2 3.47Å; Y397-V411 HydrophobicContact CE2-CB 3.85Å; Y397-V411 HydrophobicContact CE2-CG1 4.49Å; Y397-V411 HydrophobicContact CE2-CG2 3.69Å; Y397-V411 HydrophobicContact CG-CG2 4.48Å; Y397-V418 HydrophobicContact CE2-CG1 4.38Å; Y397-V418 VanDerWaalsContact OH-CG1 3.3Å; Y397-V418 WeakPolarHBondContact OH-CG1 3.45Å; Y397-P419 WeakPolarHBondContact CE1-O 2.12Å; Y397-P419 VanDerWaalsContact CZ-O 3.31Å; Y397-P419 PolarHBondContact OH-O 3.36Å; Y397-L422 HydrophobicContact CD1-CB 3.46Å; Y397-L422 VanDerWaalsContact CD1-CB 3.46Å; Y397-L422 HydrophobicContact CD1-CD2 4.23Å; Y397-L422 HydrophobicContact CD1-CG 4.48Å; Y397-L422 HydrophobicContact CD2-CD2 3.99Å; Y397-L422 HydrophobicContact CE1-CB 3.69Å; Y397-L422 HydrophobicContact CG-CB 3.95Å; Y397-L422 HydrophobicContact CG-CD2 3.82Å; Y397-Q440 WeakPolarHBondContact CA-O 3.38Å; Y397-L441 HydrophobicContact CD1-CB 4.23Å; Y397-L441 HydrophobicContact CE1-CB 3.73Å; Y397-L441 HydrophobicContact CE1-CD1 4.12Å; Y397-L441 HydrophobicContact CE2-CD1 3.99Å
398	G	87.8	Confident	85.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-179.9	178.2	0	0	0	0	0	112.9	L439 Q440	G398-L439 CarbonylContact O-C 3.54Å; G398-L439 WeakPolarHBondContact O-CA 3.41Å; G398-Q440 PolarHBondContact N-O 2.8Å; G398-Q440 PolarHBondContact O-N 3.35Å
399	P	84.1	Confident	85.6	Confident	16 Å²	16	25.5 Å²	25.5	10%	0.104	13%	0.131	C	C	.	.			trans	-61.4	160.4	172.1	28.6	-36.7	0	0	0	111.1	F401 F406 W442	P399-F401 WeakPolarHBondContact CB-O 3.4Å; P399-F401 VanDerWaalsContact CG-O 3.31Å; P399-F401 WeakPolarHBondContact CG-O 3.41Å; P399-F401 PolarHBondContact O-N 2.71Å; P399-F406 HydrophobicContact CG-CB 4.12Å; P399-F406 HydrophobicContact CG-CD2 3.6Å; P399-F406 HydrophobicContact CG-CE2 4.17Å; P399-F406 HydrophobicContact CG-CG 3.92Å; P399-W442 HydrophobicContact CG-CZ2 4.2Å; P399-W442 PolarHBondContact O-NE1 3.15Å
400	R	80.1	Confident	85.9	Confident	131 Å²	131	23.5 Å²	23.5	49%	0.494	12%	0.117	S	C	.	.	S	Bend	trans	-66.9	-21.5	177.1	-178.1	174.3	174.4	-163.8	-2.1	113.6	P528	R400-P528 WeakPolarHBondContact O-CB 3.22Å
401	F	81.4	Confident	86.1	Confident	63 Å²	63	23.2 Å²	23.2	28%	0.276	12%	0.116	S	C	.	.	S	Bend	trans	-140.3	150.8	178.8	-57.3	-73.9	0	0	0	109.5	P399 H403 P529 P531	P399-F401 WeakPolarHBondContact CB-O 3.4Å; P399-F401 VanDerWaalsContact CG-O 3.31Å; P399-F401 WeakPolarHBondContact CG-O 3.41Å; P399-F401 PolarHBondContact O-N 2.71Å; F401-H403 PolarHBondContact O-CD2 3.5Å; F401-H403 VanDerWaalsContact O-CD2 3.26Å; F401-P529 WeakPolarHBondContact CA-O 3.42Å; F401-P531 HydrophobicContact CB-CB 3.98Å; F401-P531 HydrophobicContact CB-CG 4.41Å; F401-P531 HydrophobicContact CD1-CB 4.48Å; F401-P531 HydrophobicContact CD2-CB 4.42Å; F401-P531 HydrophobicContact CG-CB 4.08Å
402	I	80.9	Confident	86.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.			trans	-76	142.2	177	56.8	173.6	0	0	0	112.2	F406 W442 F466 M502 T503 F505 P528 P529 A530 P531	I402-F406 HydrophobicContact CB-CE1 4.23Å; I402-F406 HydrophobicContact CB-CZ 4.39Å; I402-F406 HydrophobicContact CG2-CE1 4.41Å; I402-F406 HydrophobicContact CG2-CZ 4.08Å; I402-W442 HydrophobicContact CG2-CH2 4.43Å; I402-F466 HydrophobicContact CB-CZ 4.36Å; I402-F466 HydrophobicContact CD1-CE2 4.05Å; I402-F466 HydrophobicContact CD1-CZ 4.06Å; I402-M502 HydrophobicContact CD1-CB 4.27Å; I402-T503 VanDerWaalsContact CD1-O 3.3Å; I402-T503 WeakPolarHBondContact CD1-O 2.47Å; I402-F505 HydrophobicContact CG2-CE1 3.98Å; I402-P528 HydrophobicContact CG2-CG 4.25Å; I402-P529 PolarHBondContact N-O 3.38Å; I402-A530 HydrophobicContact CD1-CB 4.42Å; I402-A530 HydrophobicContact CG1-CB 4.11Å; I402-P531 WeakPolarHBondContact O-CD 3.28Å
403	H	75.1	Confident	86.2	Confident	67 Å²	67	21.7 Å²	21.7	31%	0.31	11%	0.109	S	C	.	.			trans	-126.3	164.8	-176	-76.8	-76.6	0	0	0	110.7	F401 S405 F406 F466	F401-H403 PolarHBondContact O-CD2 3.5Å; F401-H403 VanDerWaalsContact O-CD2 3.26Å; H403-S405 PolarHBondContact O-N 3.29Å; H403-F406 HydrophobicContact CB-CB 4.36Å; H403-F406 HydrophobicContact CB-CD1 3.99Å; H403-F406 WeakPolarHBondContact O-CD1 3.05Å; H403-F406 VanDerWaalsContact O-CE1 3.25Å; H403-F406 WeakPolarHBondContact O-CE1 2.12Å; H403-F466 WeakPolarHBondContact O-CE1 2.12Å
404	P	77.8	Confident	86	Confident	69 Å²	69	22.4 Å²	22.4	45%	0.448	11%	0.113	S	C	.	.	S	Bend	trans	-64.3	-23.8	178.5	22	-30.9	0	0	0	113.9	S495 C496 M502	P404-S495 WeakPolarHBondContact O-CA 3.23Å; P404-C496 PolarHBondContact O-N 2.72Å; P404-M502 HydrophobicContact CB-CE 3.63Å; P404-M502 HydrophobicContact CG-CE 3.97Å
405	S	81.4	Confident	85.6	Confident	62 Å²	62	22.9 Å²	22.9	43%	0.434	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	132.9	166.4	-178.8	0	0	0	0	109.2	H403 I494	H403-S405 PolarHBondContact O-N 3.29Å; S405-I494 WeakPolarHBondContact CA-O 3.31Å
406	F	82.1	Confident	85	Confident	5 Å²	5	25.2 Å²	25.2	2%	0.022	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171.2	179	58.4	-83.6	0	0	0	111	P399 I402 H403 V408 W442 F466 I494 F505	P399-F406 HydrophobicContact CG-CB 4.12Å; P399-F406 HydrophobicContact CG-CD2 3.6Å; P399-F406 HydrophobicContact CG-CE2 4.17Å; P399-F406 HydrophobicContact CG-CG 3.92Å; I402-F406 HydrophobicContact CB-CE1 4.23Å; I402-F406 HydrophobicContact CB-CZ 4.39Å; I402-F406 HydrophobicContact CG2-CE1 4.41Å; I402-F406 HydrophobicContact CG2-CZ 4.08Å; H403-F406 HydrophobicContact CB-CB 4.36Å; H403-F406 HydrophobicContact CB-CD1 3.99Å; H403-F406 WeakPolarHBondContact O-CD1 3.05Å; H403-F406 VanDerWaalsContact O-CE1 3.25Å; H403-F406 WeakPolarHBondContact O-CE1 2.12Å; F406-V408 HydrophobicContact CD2-CG2 4.03Å; F406-V408 HydrophobicContact CE2-CG2 3.64Å; F406-W442 AromaticContact CE2-CH2 3.66Å; F406-W442 HydrophobicContact CE2-CH2 3.66Å; F406-W442 HydrophobicContact CE2-CZ2 4.2Å; F406-W442 HydrophobicContact CZ-CH2 4.14Å; F406-F466 HydrophobicContact CE1-CD1 4.35Å; F406-F466 AromaticContact CE1-CE1 3.85Å; F406-F466 HydrophobicContact CE1-CE1 3.85Å; F406-F466 HydrophobicContact CE1-CZ 4.5Å; F406-I494 HydrophobicContact CE1-CB 4.41Å; F406-I494 HydrophobicContact CE1-CG2 4.31Å; F406-I494 HydrophobicContact CE2-CB 4.14Å; F406-I494 HydrophobicContact CE2-CD1 4.11Å; F406-I494 HydrophobicContact CE2-CG1 4.49Å; F406-I494 HydrophobicContact CZ-CB 4.08Å; F406-I494 HydrophobicContact CZ-CD1 4.4Å; F406-I494 HydrophobicContact CZ-CG2 4.02Å; F406-I494 PolarHBondContact N-O 2.82Å; F406-I494 PolarHBondContact O-N 2.71Å; F406-F505 HydrophobicContact CZ-CE1 4.06Å; F406-F505 AromaticContact CZ-CZ 3.97Å; F406-F505 HydrophobicContact CZ-CZ 3.97Å
407	K	84.4	Confident	84.3	Confident	37 Å²	37	27 Å²	27	16%	0.161	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.5	170.2	-73.2	-168	165.1	-167.6	0	111.1	D426 P491 I492	K407-D426 IonicContact NZ-OD1 3.94Å; K407-D426 IonicContact NZ-OD2 3.13Å; K407-D426 PolarHBondContact NZ-OD2 2.93Å; K407-P491 HydrophobicContact CD-CB 4.41Å; K407-I492 VanDerWaalsContact CA-O 3.31Å; K407-I492 WeakPolarHBondContact CA-O 3.44Å
408	V	88.1	Confident	83.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.2	160.7	175.4	0	0	0	0	107	V396 Y397 F406 W442 P491 I492 I494 L507	V396-V408 HydrophobicContact CG1-CG1 3.58Å; Y397-V408 CarbonylContact O-C 3.54Å; Y397-V408 WeakPolarHBondContact O-CA 3.44Å; Y397-V408 WeakPolarHBondContact O-CG1 3.45Å; F406-V408 HydrophobicContact CD2-CG2 4.03Å; F406-V408 HydrophobicContact CE2-CG2 3.64Å; V408-W442 HydrophobicContact CG2-CH2 3.85Å; V408-W442 HydrophobicContact CG2-CZ2 4.42Å; V408-W442 HydrophobicContact CG2-CZ3 3.93Å; V408-P491 CarbonylContact O-C 3.52Å; V408-P491 WeakPolarHBondContact O-CA 3.39Å; V408-I492 PolarHBondContact N-O 2.83Å; V408-I492 PolarHBondContact O-N 2.84Å; V408-I494 HydrophobicContact CB-CD1 4.18Å; V408-I494 HydrophobicContact CG2-CD1 3.51Å; V408-I494 HydrophobicContact CG2-CG1 4.3Å; V408-L507 HydrophobicContact CG1-CD2 4.34Å
409	V	89.6	Confident	83.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.3	174.9	179.1	0	0	0	0	107.6	Y397 V411 F424 L439 H489 L490 P491	Y397-V409 PolarHBondContact N-O 3.08Å; Y397-V409 PolarHBondContact O-N 3.39Å; V409-V411 HydrophobicContact CG1-CG2 4.24Å; V409-F424 HydrophobicContact CG1-CD2 4.19Å; V409-F424 HydrophobicContact CG1-CE2 4.16Å; V409-F424 HydrophobicContact CG2-CD1 3.81Å; V409-F424 HydrophobicContact CG2-CD2 3.82Å; V409-F424 HydrophobicContact CG2-CE1 3.78Å; V409-F424 HydrophobicContact CG2-CE2 3.8Å; V409-F424 HydrophobicContact CG2-CG 3.83Å; V409-F424 HydrophobicContact CG2-CZ 3.78Å; V409-L439 HydrophobicContact CB-CD1 3.87Å; V409-L439 HydrophobicContact CG2-CD1 3.51Å; V409-H489 HydrophobicContact CG1-CB 3.94Å; V409-L490 WeakPolarHBondContact CA-O 2.9Å; V409-P491 HydrophobicContact CG2-CB 4.37Å
410	I	91.4	Very high	83.3	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.5	166.4	-63.1	-179.3	0	0	0	107.4	V394 V412 V457 V459 L490 I492 I509	V394-I410 HydrophobicContact CG1-CG2 3.47Å; V394-I410 VanDerWaalsContact CG1-CG2 3.47Å; I410-V412 HydrophobicContact CG2-CG2 4.18Å; I410-V457 HydrophobicContact CD1-CG1 3.84Å; I410-V457 HydrophobicContact CG2-CG1 4.48Å; I410-V459 HydrophobicContact CD1-CG2 3.54Å; I410-L490 HydrophobicContact CB-CB 4.27Å; I410-L490 PolarHBondContact N-O 3.09Å; I410-L490 WeakPolarHBondContact O-CB 3.28Å; I410-L490 PolarHBondContact O-N 3.26Å; I410-I492 HydrophobicContact CD1-CD1 3.6Å; I410-I492 HydrophobicContact CG1-CD1 3.94Å; I410-I509 HydrophobicContact CD1-CD1 3.68Å; I410-I509 HydrophobicContact CD1-CG1 4.06Å; I410-I509 HydrophobicContact CD1-CG2 4.42Å; I410-I509 HydrophobicContact CG1-CD1 4.24Å
411	V	90.6	Very high	83.3	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.8	173.1	172	0	0	0	0	108.3	V394 A395 Y397 V409 V418 L422 V487 L488	V394-V411 WeakPolarHBondContact CA-O 3.42Å; A395-V411 HydrophobicContact CB-CB 4.41Å; A395-V411 PolarHBondContact N-O 3.22Å; A395-V411 PolarHBondContact O-N 3.21Å; Y397-V411 HydrophobicContact CD2-CB 3.95Å; Y397-V411 HydrophobicContact CD2-CG2 3.47Å; Y397-V411 VanDerWaalsContact CD2-CG2 3.47Å; Y397-V411 HydrophobicContact CE2-CB 3.85Å; Y397-V411 HydrophobicContact CE2-CG1 4.49Å; Y397-V411 HydrophobicContact CE2-CG2 3.69Å; Y397-V411 HydrophobicContact CG-CG2 4.48Å; V409-V411 HydrophobicContact CG1-CG2 4.24Å; V411-V418 HydrophobicContact CG1-CG1 4.44Å; V411-L422 HydrophobicContact CG2-CD2 3.66Å; V411-V487 HydrophobicContact CG1-CG1 3.55Å; V411-L488 VanDerWaalsContact CA-O 3.32Å; V411-L488 WeakPolarHBondContact CA-O 3.38Å
412	V	90.8	Very high	83	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.1	171	-176.8	0	0	0	0	107.8	I392 V394 I410 F455 V457 V477 L482 L488 L490	I392-V412 HydrophobicContact CG2-CG1 3.81Å; V394-V412 HydrophobicContact CG1-CG2 4.44Å; V394-V412 HydrophobicContact CG2-CG2 4.4Å; I410-V412 HydrophobicContact CG2-CG2 4.18Å; V412-F455 HydrophobicContact CG1-CE2 4.45Å; V412-F455 HydrophobicContact CG1-CZ 3.89Å; V412-V457 HydrophobicContact CG2-CG2 4.48Å; V412-V477 HydrophobicContact CG2-CG2 4.3Å; V412-L482 HydrophobicContact CG1-CD2 4.13Å; V412-L488 HydrophobicContact CB-CB 4.27Å; V412-L488 PolarHBondContact N-O 3.22Å; V412-L488 PolarHBondContact O-N 2.85Å; V412-L490 HydrophobicContact CG2-CD1 3.87Å
413	C	88.4	Confident	82.4	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	166.6	179.9	68.1	0	0	0	0	110.8	T393 V487	T393-C413 PolarHBondContact N-O 3.25Å; T393-C413 PolarHBondContact O-N 3.34Å; C413-V487 HydrophobicContact CB-CG1 4.25Å; C413-V487 HydrophobicContact CB-CG2 4.1Å
414	C	86.1	Confident	82	Confident	14 Å²	14	25.3 Å²	25.3	10%	0.095	14%	0.143	C	C	.	.	S	Bend	trans	-104.7	35.5	177.9	-55.3	0	0	0	0	111.2	S315 W385	S315-C414 WeakPolarHBondContact CB-O 3.11Å; S315-C414 PolarHBondContact OG-O 2.94Å; W385-C414 HydrophobicContact CH2-CB 3.81Å; W385-C414 VanDerWaalsContact CH2-SG 3.56Å
415	H	83.3	Confident	81.1	Confident	10 Å²	10	25.2 Å²	25.2	5%	0.046	14%	0.144	C	C	.	.			trans	-121.6	142.9	177.1	-62.5	-48.7	0	0	0	109.9	L277 S292 S315 T393	L277-H415 HydrophobicContact CD2-CB 4.35Å; L277-H415 PolarHBondContact O-NE2 3.05Å; S292-H415 VanDerWaalsContact C-CE1 3.46Å; S292-H415 PolarHBondContact O-CE1 2.83Å; S315-H415 PolarHBondContact OG-ND1 3.11Å; T393-H415 WeakPolarHBondContact CB-O 3.24Å; T393-H415 PolarHBondContact OG1-O 3.07Å
416	E	78.9	Confident	79.7	Confident	49 Å²	49	24.3 Å²	24.3	23%	0.229	13%	0.134	C	C	.	.	S	Bend	trans	-78.2	-42.7	177.3	-176.8	176.4	138.6	0	0	111.8	K313 K444	K313-E416 IonicContact NZ-OE1 2.74Å; K313-E416 PolarHBondContact NZ-OE1 2.9Å; K313-E416 IonicContact NZ-OE2 3.16Å; K313-E416 PolarHBondContact NZ-OE2 2.82Å; E416-K444 PolarHBondContact O-NZ 2.78Å
417	D	77.9	Confident	77.9	Confident	39 Å²	39	30 Å²	30	21%	0.209	17%	0.169	C	C	.	.			trans	-86.9	117.4	175.4	-65.6	-16.2	0	0	0	109	S252 K253	S252-D417 VanDerWaalsContact CA-OD2 3.23Å; S252-D417 WeakPolarHBondContact CA-OD2 3.38Å; S252-D417 WeakPolarHBondContact CB-OD2 3.43Å; K253-D417 PolarHBondContact N-OD2 3.2Å; K253-D417 VanDerWaalsContact N-OD2 3.14Å
418	V	81.6	Confident	75.7	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.055	20%	0.198	C	C	.	.			trans	-132.8	128.8	-175.4	-152.5	0	0	0	0	106.1	L277 T393 A395 Y397 V411 K444	L277-V418 HydrophobicContact CD1-CG1 3.79Å; T393-V418 HydrophobicContact CG2-CG2 3.71Å; A395-V418 HydrophobicContact CB-CG1 4.24Å; Y397-V418 HydrophobicContact CE2-CG1 4.38Å; Y397-V418 VanDerWaalsContact OH-CG1 3.3Å; Y397-V418 WeakPolarHBondContact OH-CG1 3.45Å; V411-V418 HydrophobicContact CG1-CG1 4.44Å; V418-K444 HydrophobicContact CG2-CD 4.38Å
419	P	78.6	Confident	73.5	Confident	20 Å²	20	40 Å²	40	13%	0.13	23%	0.226	C	C	.	.			trans	-65	147.7	-163.3	26	-37.3	0	0	0	112.9	F234 Y397 K421	F234-P419 HydrophobicContact CB-CB 4.43Å; F234-P419 HydrophobicContact CD2-CB 3.48Å; F234-P419 VanDerWaalsContact CD2-CB 3.48Å; F234-P419 HydrophobicContact CE2-CB 3.95Å; F234-P419 HydrophobicContact CG-CB 4.19Å; Y397-P419 WeakPolarHBondContact CE1-O 2.12Å; Y397-P419 VanDerWaalsContact CZ-O 3.31Å; Y397-P419 PolarHBondContact OH-O 3.36Å; P419-K421 PolarHBondContact O-N 2.79Å; P419-K421 VanDerWaalsContact O-N 3.15Å
420	P	79.9	Confident	71	Confident	39 Å²	39	43.6 Å²	43.6	25%	0.253	26%	0.262	S	S	.	.	S	Bend	trans	-67.8	-17.6	-178.8	29	-37.7	0	0	0	113.3	E251 L441	E251-P420 WeakPolarHBondContact OE2-CB 3.47Å; E251-P420 VanDerWaalsContact OE2-CD 3.32Å; E251-P420 WeakPolarHBondContact OE2-CD 3.41Å; E251-P420 WeakPolarHBondContact OE2-CG 3.34Å; P420-L441 PolarHBondContact O-N 3.04Å
421	K	81.1	Confident	68.4	Low	75 Å²	75	49.8 Å²	49.8	33%	0.326	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.2	178.6	-61.2	179	-173.7	169.5	0	109.7	T232 P419 V438 L439	T232-K421 HydrophobicContact CG2-CB 4.27Å; T232-K421 HydrophobicContact CG2-CD 3.44Å; T232-K421 VanDerWaalsContact CG2-CD 3.44Å; P419-K421 PolarHBondContact O-N 2.79Å; P419-K421 VanDerWaalsContact O-N 3.15Å; K421-V438 HydrophobicContact CB-CG1 4.04Å; K421-V438 HydrophobicContact CD-CG1 4.49Å; K421-L439 CarbonylContact C-O 3.59Å; K421-L439 VanDerWaalsContact CA-O 3.29Å; K421-L439 WeakPolarHBondContact CA-O 3.15Å
422	L	74	Confident	66.2	Low	20 Å²	20	59.3 Å²	59.3	11%	0.105	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116	-177.1	177.8	73.3	0	0	0	110.2	Y397 V411 F424 L439	Y397-L422 HydrophobicContact CD1-CB 3.46Å; Y397-L422 VanDerWaalsContact CD1-CB 3.46Å; Y397-L422 HydrophobicContact CD1-CD2 4.23Å; Y397-L422 HydrophobicContact CD1-CG 4.48Å; Y397-L422 HydrophobicContact CD2-CD2 3.99Å; Y397-L422 HydrophobicContact CE1-CB 3.69Å; Y397-L422 HydrophobicContact CG-CB 3.95Å; Y397-L422 HydrophobicContact CG-CD2 3.82Å; V411-L422 HydrophobicContact CG2-CD2 3.66Å; L422-F424 PolarHBondContact O-N 3.08Å; L422-L439 PolarHBondContact N-O 2.91Å; L422-L439 PolarHBondContact O-N 3.27Å
423	P	69.7	Low	63.9	Low	56 Å²	56	64.4 Å²	64.4	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	113.3	167.1	29.4	-31.6	0	0	0	109.6	P436	P423-P436 HydrophobicContact CB-CB 4.08Å; P423-P436 HydrophobicContact CB-CG 4.29Å
424	F	65.9	Low	61.9	Low	22 Å²	22	69.7 Å²	69.7	10%	0.096	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	-178.7	178.3	-104.5	0	0	0	111.9	V409 L422 D426 P436 L437 L439 H489 P491	V409-F424 HydrophobicContact CG1-CD2 4.19Å; V409-F424 HydrophobicContact CG1-CE2 4.16Å; V409-F424 HydrophobicContact CG2-CD1 3.81Å; V409-F424 HydrophobicContact CG2-CD2 3.82Å; V409-F424 HydrophobicContact CG2-CE1 3.78Å; V409-F424 HydrophobicContact CG2-CE2 3.8Å; V409-F424 HydrophobicContact CG2-CG 3.83Å; V409-F424 HydrophobicContact CG2-CZ 3.78Å; L422-F424 PolarHBondContact O-N 3.08Å; F424-D426 HydrophobicContact CE1-CB 3.87Å; F424-D426 HydrophobicContact CZ-CB 4.28Å; F424-P436 CarbonylContact O-C 3.25Å; F424-P436 WeakPolarHBondContact O-CA 3.42Å; F424-L437 PolarHBondContact N-O 3.32Å; F424-L437 PolarHBondContact O-N 3.37Å; F424-L439 HydrophobicContact CB-CD1 3.78Å; F424-L439 HydrophobicContact CB-CG 4.26Å; F424-L439 HydrophobicContact CD1-CD1 4.32Å; F424-L439 HydrophobicContact CG-CD1 4.13Å; F424-H489 HydrophobicContact CE2-CB 4.12Å; F424-P491 HydrophobicContact CZ-CB 4.06Å; F424-P491 HydrophobicContact CZ-CG 4.45Å
425	S	59.2	Low	59.9	Low	67 Å²	67	71.9 Å²	71.9	47%	0.469	41%	0.406	S	S	.	.			trans	-104.6	126.9	165.9	48.7	0	0	0	0	109.8	V427	S425-V427 VanDerWaalsContact C-N 3.31Å; S425-V427 PolarHBondContact O-N 3.42Å
426	D	52.2	Low	58.6	Low	43 Å²	43	74.7 Å²	74.7	23%	0.23	43%	0.425	C	S	.	.			trans	-77	78.6	-179.6	-170.8	11.7	0	0	0	110.9	K407 F424 C428 K429	K407-D426 IonicContact NZ-OD1 3.94Å; K407-D426 IonicContact NZ-OD2 3.13Å; K407-D426 PolarHBondContact NZ-OD2 2.93Å; F424-D426 HydrophobicContact CE1-CB 3.87Å; F424-D426 HydrophobicContact CZ-CB 4.28Å; D426-C428 PolarHBondContact O-N 3.44Å; D426-K429 PolarHBondContact O-N 3.27Å
427	V	43.1	Very low	58	Low	125 Å²	125	74.9 Å²	74.9	76%	0.758	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.1	-177.6	-172.5	0	0	0	0	112.5	S425 K429	S425-V427 VanDerWaalsContact C-N 3.31Å; S425-V427 PolarHBondContact O-N 3.42Å; V427-K429 PolarHBondContact O-N 3.5Å
428	C	40.1	Very low	57.7	Low	112 Å²	112	75 Å²	75	76%	0.757	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.3	179.4	-61.5	0	0	0	0	114.3	D426	D426-C428 PolarHBondContact O-N 3.44Å
429	K	41.3	Very low	57.8	Low	135 Å²	135	74.6 Å²	74.6	59%	0.587	43%	0.427	S	S	*	.	S	Bend	trans	-115.2	118	169.4	-69.8	-171.6	176	-173.1	0	110	D426 V427 N431	D426-K429 PolarHBondContact O-N 3.27Å; V427-K429 PolarHBondContact O-N 3.5Å; K429-N431 PolarHBondContact O-N 3.24Å
430	G	36.1	Very low	58.1	Low	75 Å²	75	77.7 Å²	77.7	77%	0.773	44%	0.44	S	S	*	.			trans	-64	9.8	-173.2	0	0	0	0	0	117.9	K432	G430-K432 PolarHBondContact O-N 3.3Å
431	N	37.5	Very low	58.5	Low	131 Å²	131	77.9 Å²	77.9	70%	0.701	44%	0.438	S	S	*	.			trans	-80.2	91.4	174.7	-96.5	-14.4	0	0	0	110.4	K429 N433	K429-N431 PolarHBondContact O-N 3.24Å; N431-N433 PolarHBondContact O-N 2.94Å
432	K	43.6	Very low	58.9	Low	202 Å²	202	76.1 Å²	76.1	88%	0.878	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	1.4	-176.7	-62.4	-177.2	178.9	179	0	116.1	G430	G430-K432 PolarHBondContact O-N 3.3Å
433	N	43.4	Very low	59.6	Low	108 Å²	108	76.1 Å²	76.1	58%	0.578	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	6.4	-163.3	-62.2	-0.8	0	0	0	114.8	M202 N431	M202-N433 VanDerWaalsContact CE-ND2 3.33Å; M202-N433 WeakPolarHBondContact CE-ND2 3.26Å; N431-N433 PolarHBondContact O-N 2.94Å
434	L	45.5	Very low	60.6	Low	112 Å²	112	78.1 Å²	78.1	59%	0.586	44%	0.437	S	S	*	.	S	Bend	trans	-94.3	121.8	170.4	-63.6	174.8	0	0	0	109.3	W226	W226-L434 HydrophobicContact CZ2-CD2 4.15Å
435	P	45.3	Very low	61.8	Low	61 Å²	61	80.1 Å²	80.1	40%	0.396	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-66	158.1	173.3	30.2	-36.1	0	0	0	111.1	W226 L437	W226-P435 VanDerWaalsContact CH2-CD 3.49Å; W226-P435 HydrophobicContact CH2-CG 3.29Å; W226-P435 HydrophobicContact CZ2-CG 4.1Å; W226-P435 HydrophobicContact CZ3-CG 4.04Å; P435-L437 PolarHBondContact O-N 2.65Å
436	P	56.2	Low	63.2	Low	69 Å²	69	79 Å²	79	45%	0.448	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-64.4	133.3	-172.9	25.5	-34.8	0	0	0	112.4	P423 F424 V438	P423-P436 HydrophobicContact CB-CB 4.08Å; P423-P436 HydrophobicContact CB-CG 4.29Å; F424-P436 CarbonylContact O-C 3.25Å; F424-P436 WeakPolarHBondContact O-CA 3.42Å; P436-V438 PolarHBondContact O-N 2.67Å
437	L	65.1	Low	64.8	Low	52 Å²	52	78 Å²	78	27%	0.272	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.1	171.4	179.8	61.8	0	0	0	108.7	F424 P435 L439	F424-L437 PolarHBondContact N-O 3.32Å; F424-L437 PolarHBondContact O-N 3.37Å; P435-L437 PolarHBondContact O-N 2.65Å; L437-L439 HydrophobicContact CD2-CD2 3.69Å; L437-L439 HydrophobicContact CG-CD2 3.89Å; L437-L439 HydrophobicContact CG-CG 4.41Å; L437-L439 PolarHBondContact O-N 3.11Å
438	V	72.3	Confident	66.8	Low	41 Å²	41	78 Å²	78	25%	0.248	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	103.9	174.9	-177.3	0	0	0	0	108.8	T232 K421 P436	T232-V438 WeakPolarHBondContact OG1-CG1 3.49Å; K421-V438 HydrophobicContact CB-CG1 4.04Å; K421-V438 HydrophobicContact CD-CG1 4.49Å; P436-V438 PolarHBondContact O-N 2.67Å
439	L	82.9	Confident	68.7	Low	2 Å²	2	74.4 Å²	74.4	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	150.1	174.3	-58.8	173.8	0	0	0	110.2	G398 V409 K421 L422 F424 L437	G398-L439 CarbonylContact O-C 3.54Å; G398-L439 WeakPolarHBondContact O-CA 3.41Å; V409-L439 HydrophobicContact CB-CD1 3.87Å; V409-L439 HydrophobicContact CG2-CD1 3.51Å; K421-L439 CarbonylContact C-O 3.59Å; K421-L439 VanDerWaalsContact CA-O 3.29Å; K421-L439 WeakPolarHBondContact CA-O 3.15Å; L422-L439 PolarHBondContact N-O 2.91Å; L422-L439 PolarHBondContact O-N 3.27Å; F424-L439 HydrophobicContact CB-CD1 3.78Å; F424-L439 HydrophobicContact CB-CG 4.26Å; F424-L439 HydrophobicContact CD1-CD1 4.32Å; F424-L439 HydrophobicContact CG-CD1 4.13Å; L437-L439 HydrophobicContact CD2-CD2 3.69Å; L437-L439 HydrophobicContact CG-CD2 3.89Å; L437-L439 HydrophobicContact CG-CG 4.41Å; L437-L439 PolarHBondContact O-N 3.11Å
440	Q	85.3	Confident	70.3	Confident	85 Å²	85	74.8 Å²	74.8	40%	0.397	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	143.2	175.4	-177.9	172.5	-15.5	0	0	110.2	Y397 G398 W442	Y397-Q440 WeakPolarHBondContact CA-O 3.38Å; G398-Q440 PolarHBondContact N-O 2.8Å; G398-Q440 PolarHBondContact O-N 3.35Å; Q440-W442 VanDerWaalsContact O-CD1 3.31Å; Q440-W442 PolarHBondContact O-N 2.83Å
441	L	88.6	Confident	72.3	Confident	43 Å²	43	76.6 Å²	76.6	23%	0.225	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	117.6	171.7	-178.7	64.6	0	0	0	109.8	A395 Y397 P420 G443 K444	A395-L441 HydrophobicContact CB-CD1 3.89Å; Y397-L441 HydrophobicContact CD1-CB 4.23Å; Y397-L441 HydrophobicContact CE1-CB 3.73Å; Y397-L441 HydrophobicContact CE1-CD1 4.12Å; Y397-L441 HydrophobicContact CE2-CD1 3.99Å; P420-L441 PolarHBondContact O-N 3.04Å; L441-G443 WeakPolarHBondContact CD1-O 3.19Å; L441-K444 HydrophobicContact CD1-CB 4.4Å
442	W	89.9	Confident	74.3	Confident	38 Å²	38	71 Å²	71	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-32.5	172.8	-68	4.8	0	0	0	111.6	V396 P399 I402 F406 V408 Q440 F505 V525 P528	V396-W442 HydrophobicContact CB-CB 4.38Å; V396-W442 HydrophobicContact CG1-CB 4.29Å; V396-W442 HydrophobicContact CG1-CE3 4.17Å; V396-W442 PolarHBondContact O-N 2.98Å; P399-W442 HydrophobicContact CG-CZ2 4.2Å; P399-W442 PolarHBondContact O-NE1 3.15Å; I402-W442 HydrophobicContact CG2-CH2 4.43Å; F406-W442 AromaticContact CE2-CH2 3.66Å; F406-W442 HydrophobicContact CE2-CH2 3.66Å; F406-W442 HydrophobicContact CE2-CZ2 4.2Å; F406-W442 HydrophobicContact CZ-CH2 4.14Å; V408-W442 HydrophobicContact CG2-CH2 3.85Å; V408-W442 HydrophobicContact CG2-CZ2 4.42Å; V408-W442 HydrophobicContact CG2-CZ3 3.93Å; Q440-W442 VanDerWaalsContact O-CD1 3.31Å; Q440-W442 PolarHBondContact O-N 2.83Å; W442-F505 HydrophobicContact CH2-CZ 4.43Å; W442-F505 HydrophobicContact CZ3-CZ 4.37Å; W442-V525 HydrophobicContact CB-CG1 3.55Å; W442-P528 HydrophobicContact CZ2-CG 3.73Å
443	G	88.1	Confident	76.2	Confident	20 Å²	20	65.8 Å²	65.8	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	158.9	176.8	0	0	0	0	0	112.2	V396 L441	V396-G443 PolarHBondContact N-O 2.82Å; L441-G443 WeakPolarHBondContact CD1-O 3.19Å
444	K	90.8	Very high	78.4	Confident	97 Å²	97	63.8 Å²	63.8	42%	0.422	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.5	172.9	68.7	178.9	-174.5	179.5	0	111.2	T393 V394 A395 E416 V418 L441	T393-K444 HydrophobicContact CG2-CB 4.17Å; T393-K444 HydrophobicContact CG2-CD 4.29Å; V394-K444 WeakPolarHBondContact O-CA 3.29Å; A395-K444 HydrophobicContact CB-CB 3.9Å; E416-K444 PolarHBondContact O-NZ 2.78Å; V418-K444 HydrophobicContact CG2-CD 4.38Å; L441-K444 HydrophobicContact CD1-CB 4.4Å
445	H	90.6	Very high	80.4	Confident	64 Å²	64	59 Å²	59	30%	0.296	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.2	172.1	-176.7	83.9	0	0	0	109.1	T393 V394 F523	T393-H445 CarbonylContact C-O 3.32Å; T393-H445 WeakPolarHBondContact CA-O 3.39Å; V394-H445 PolarHBondContact N-O 3.37Å; V394-H445 PolarHBondContact O-N 2.91Å; H445-F523 HydrophobicContact CB-CB 4.34Å; H445-F523 HydrophobicContact CB-CD1 3.58Å; H445-F523 HydrophobicContact CB-CD2 3.66Å; H445-F523 HydrophobicContact CB-CE1 3.63Å; H445-F523 HydrophobicContact CB-CE2 3.7Å; H445-F523 HydrophobicContact CB-CG 3.59Å; H445-F523 HydrophobicContact CB-CZ 3.69Å; H445-F523 AromaticContact CD2-CD1 3.85Å; H445-F523 AromaticContact CG-CD1 3.63Å; H445-F523 AromaticContact CG-CG 3.81Å
446	S	88.6	Confident	82.5	Confident	43 Å²	43	57.6 Å²	57.6	30%	0.301	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.8	-177.3	-58.9	0	0	0	0	110.8	Q391 I392 T393	Q391-S446 VanDerWaalsContact NE2-CB 3.31Å; Q391-S446 PolarHBondContact NE2-OG 2.84Å; I392-S446 VanDerWaalsContact O-CA 3.27Å; I392-S446 WeakPolarHBondContact O-CA 3.33Å; T393-S446 WeakPolarHBondContact CG2-OG 3.36Å; T393-S446 PolarHBondContact OG1-OG 3.18Å
447	F	87.1	Confident	84.1	Confident	23 Å²	23	54.3 Å²	54.3	10%	0.101	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.3	178.9	66.1	-86.8	0	0	0	110.8	Q391 I392 V394 P449 F455 V511 T520 A521	Q391-F447 CarbonylContact C-O 3.55Å; Q391-F447 VanDerWaalsContact CA-O 3.27Å; Q391-F447 WeakPolarHBondContact CA-O 3.46Å; Q391-F447 WeakPolarHBondContact CB-O 3.21Å; I392-F447 HydrophobicContact CB-CE1 4Å; I392-F447 HydrophobicContact CB-CE2 4.22Å; I392-F447 HydrophobicContact CB-CZ 3.83Å; I392-F447 HydrophobicContact CD1-CE2 4.28Å; I392-F447 HydrophobicContact CD1-CZ 4.17Å; I392-F447 HydrophobicContact CG1-CZ 4.5Å; I392-F447 HydrophobicContact CG2-CE1 4.03Å; I392-F447 HydrophobicContact CG2-CZ 3.99Å; I392-F447 PolarHBondContact N-O 2.69Å; I392-F447 PolarHBondContact O-N 3.01Å; V394-F447 HydrophobicContact CG2-CE1 4.01Å; F447-P449 HydrophobicContact CE2-CB 4.34Å; F447-P449 HydrophobicContact CE2-CG 4.32Å; F447-F455 HydrophobicContact CZ-CE1 4.26Å; F447-F455 HydrophobicContact CZ-CZ 4.25Å; F447-V511 HydrophobicContact CE1-CG1 4.08Å; F447-V511 HydrophobicContact CE1-CG2 4.33Å; F447-V511 HydrophobicContact CZ-CG1 3.9Å; F447-T520 HydrophobicContact CD2-CG2 4.06Å; F447-T520 HydrophobicContact CE2-CG2 4.16Å; F447-A521 HydrophobicContact CD1-CB 4.46Å
448	K	85.3	Confident	85.3	Confident	125 Å²	125	52.7 Å²	52.7	54%	0.543	27%	0.268	S	S	.	.			trans	-109.5	106.2	178.7	-68.5	-172.3	177.6	-168.5	0	110	Q391	Q391-K448 HydrophobicContact CB-CG 3.94Å
449	P	79.9	Confident	86.1	Confident	36 Å²	36	51 Å²	51	23%	0.234	26%	0.258	C	S	.	.			trans	-83.2	135.1	174.6	32.4	-33	0	0	0	111.5	I392 F447 K451	I392-P449 HydrophobicContact CD1-CG 3.9Å; I392-P449 HydrophobicContact CG1-CG 4.13Å; F447-P449 HydrophobicContact CE2-CB 4.34Å; F447-P449 HydrophobicContact CE2-CG 4.32Å; P449-K451 VanDerWaalsContact C-N 3.28Å; P449-K451 PolarHBondContact O-N 2.95Å
450	D	73.3	Confident	86.3	Confident	143 Å²	143	54.1 Å²	54.1	77%	0.765	28%	0.275	S	S	*	.	S	Bend	trans	-62.7	-35.8	179	-64.9	-52.2	0	0	0	113.4	K319	K319-D450 PolarHBondContact NZ-O 3.43Å; K319-D450 VanDerWaalsContact NZ-O 3.15Å
451	K	78.1	Confident	86.3	Confident	114 Å²	114	51.1 Å²	51.1	50%	0.496	26%	0.262	S	S	.	.	S	Bend	trans	-138.2	141.6	173.7	-65.6	-169.3	179.1	-171.7	0	109.2	P449 K453	P449-K451 VanDerWaalsContact C-N 3.28Å; P449-K451 PolarHBondContact O-N 2.95Å; K451-K453 PolarHBondContact O-N 2.92Å
452	L	80.1	Confident	85.7	Confident	12 Å²	12	54 Å²	54	6%	0.063	27%	0.272	C	S	.	.			trans	-72.8	118.4	177.2	-162.6	72.1	0	0	0	109.6	W385 I392 Q479 L482 K483	W385-L452 HydrophobicContact CD2-CD2 3.94Å; W385-L452 HydrophobicContact CE3-CD1 4.33Å; W385-L452 HydrophobicContact CE3-CD2 4.29Å; W385-L452 HydrophobicContact CG-CD2 4.09Å; W385-L452 HydrophobicContact CZ3-CD1 4.39Å; I392-L452 HydrophobicContact CD1-CD1 3.9Å; L452-Q479 HydrophobicContact CB-CG 4.19Å; L452-Q479 HydrophobicContact CD2-CG 3.9Å; L452-Q479 HydrophobicContact CG-CG 3.88Å; L452-Q479 WeakPolarHBondContact O-CG 3.25Å; L452-Q479 PolarHBondContact O-NE2 3.05Å; L452-L482 HydrophobicContact CD1-CB 4.06Å; L452-L482 HydrophobicContact CD1-CD1 3.91Å; L452-L482 HydrophobicContact CD2-CB 3.98Å; L452-L482 HydrophobicContact CG-CB 4.33Å; L452-L482 HydrophobicContact CG-CD1 4.47Å; L452-K483 HydrophobicContact CD2-CG 3.67Å
453	K	83.9	Confident	84.5	Confident	94 Å²	94	56.1 Å²	56.1	41%	0.409	31%	0.306	S	S	.	.			trans	-127.1	171.5	172.1	-55	-162.2	-157.2	80.3	0	111.1	K451 E513	K451-K453 PolarHBondContact O-N 2.92Å; K453-E513 HydrophobicContact CB-CG 4.04Å; K453-E513 WeakPolarHBondContact CB-OE1 3.38Å; K453-E513 HydrophobicContact CD-CG 4.19Å; K453-E513 VanDerWaalsContact CD-OE1 3.28Å; K453-E513 WeakPolarHBondContact CD-OE1 3.05Å; K453-E513 VanDerWaalsContact CG-OE1 3.24Å; K453-E513 WeakPolarHBondContact CG-OE1 3.27Å; K453-E513 IonicContact NZ-OE1 3.1Å; K453-E513 PolarHBondContact NZ-OE1 3.26Å; K453-E513 IonicContact NZ-OE2 2.75Å; K453-E513 PolarHBondContact NZ-OE2 3.18Å
454	D	88.8	Confident	83.7	Confident	66 Å²	66	56.6 Å²	56.6	35%	0.353	31%	0.306	S	S	.	.			trans	-67.2	140.7	168	-79.5	37.7	0	0	0	109.6	V477 Q479 S514	D454-V477 WeakPolarHBondContact CA-O 3.42Å; D454-Q479 VanDerWaalsContact OD1-CB 3.22Å; D454-Q479 WeakPolarHBondContact OD1-CB 3.44Å; D454-Q479 PolarHBondContact OD1-N 3.26Å; D454-S514 WeakPolarHBondContact O-CB 3.35Å; D454-S514 PolarHBondContact O-N 3.01Å; D454-S514 PolarHBondContact O-OG 3.26Å
455	F	89.1	Confident	83.1	Confident	11 Å²	11	56.2 Å²	56.2	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.6	175.6	61.5	-102.1	0	0	0	112.5	I392 V412 F447 V457 V477 L482 V511 V512	I392-F455 HydrophobicContact CD1-CE1 3.82Å; I392-F455 HydrophobicContact CD1-CZ 4.41Å; I392-F455 HydrophobicContact CG2-CZ 4.21Å; V412-F455 HydrophobicContact CG1-CE2 4.45Å; V412-F455 HydrophobicContact CG1-CZ 3.89Å; F447-F455 HydrophobicContact CZ-CE1 4.26Å; F447-F455 HydrophobicContact CZ-CZ 4.25Å; F455-V457 HydrophobicContact CD2-CG2 4.11Å; F455-V457 HydrophobicContact CE2-CG2 3.85Å; F455-V477 HydrophobicContact CD1-CG1 4.37Å; F455-V477 HydrophobicContact CD2-CB 3.93Å; F455-V477 HydrophobicContact CD2-CG1 4.43Å; F455-V477 HydrophobicContact CD2-CG2 4.28Å; F455-V477 HydrophobicContact CE1-CB 4.42Å; F455-V477 HydrophobicContact CE1-CG1 3.89Å; F455-V477 HydrophobicContact CE2-CB 3.75Å; F455-V477 HydrophobicContact CE2-CG1 3.95Å; F455-V477 HydrophobicContact CE2-CG2 3.82Å; F455-V477 HydrophobicContact CG-CB 4.35Å; F455-V477 HydrophobicContact CZ-CB 4.02Å; F455-V477 HydrophobicContact CZ-CG1 3.67Å; F455-V477 HydrophobicContact CZ-CG2 4.32Å; F455-V477 PolarHBondContact N-O 2.81Å; F455-V477 PolarHBondContact O-N 3.17Å; F455-L482 HydrophobicContact CD1-CD1 4.38Å; F455-L482 HydrophobicContact CE1-CD1 3.62Å; F455-L482 HydrophobicContact CZ-CD1 4.3Å; F455-V511 HydrophobicContact CB-CG1 4.38Å; F455-V511 HydrophobicContact CD2-CG1 3.65Å; F455-V511 HydrophobicContact CE2-CG1 4.01Å; F455-V511 HydrophobicContact CG-CG1 4.08Å; F455-V512 WeakPolarHBondContact CA-O 3.31Å; F455-V512 WeakPolarHBondContact CB-O 3.38Å
456	T	89.2	Confident	82.7	Confident	31 Å²	31	53.8 Å²	53.8	19%	0.19	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.2	171.4	47.6	0	0	0	0	110.9	V474 K475 H476 V511 V512	T456-V474 HydrophobicContact CG2-CG1 3.87Å; T456-K475 WeakPolarHBondContact CA-O 3.15Å; T456-H476 WeakPolarHBondContact CG2-ND1 3.14Å; T456-V511 WeakPolarHBondContact O-CA 3.32Å; T456-V512 PolarHBondContact N-O 3.28Å; T456-V512 PolarHBondContact O-N 3.33Å; T456-V512 PolarHBondContact OG1-O 3.42Å
457	V	89.8	Confident	82.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	99.7	167.3	-173.8	0	0	0	0	106.7	I410 V412 F455 V459 V474 K475 V477 L490 I509	I410-V457 HydrophobicContact CD1-CG1 3.84Å; I410-V457 HydrophobicContact CG2-CG1 4.48Å; V412-V457 HydrophobicContact CG2-CG2 4.48Å; F455-V457 HydrophobicContact CD2-CG2 4.11Å; F455-V457 HydrophobicContact CE2-CG2 3.85Å; V457-V459 HydrophobicContact CG1-CG2 4Å; V457-V474 WeakPolarHBondContact O-CA 3.14Å; V457-K475 PolarHBondContact N-O 3.44Å; V457-K475 PolarHBondContact O-N 2.81Å; V457-V477 HydrophobicContact CG2-CG2 4.21Å; V457-L490 HydrophobicContact CG2-CD1 4.37Å; V457-I509 HydrophobicContact CG1-CG2 3.66Å
458	G	89	Confident	82.3	Confident	18 Å²	18	53.3 Å²	53.3	19%	0.186	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.8	169.7	0	0	0	0	0	110.4	K473 I509 Q510	G458-K473 CarbonylContact C-O 3.59Å; G458-K473 WeakPolarHBondContact CA-O 3.28Å; G458-I509 WeakPolarHBondContact O-CA 3.38Å; G458-Q510 PolarHBondContact N-O 3.2Å; G458-Q510 PolarHBondContact O-N 3.14Å
459	V	89.3	Confident	82.1	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.4	-173	-171.2	0	0	0	0	110.8	I410 V457 I468 K473 I492 L507 N508 I509	I410-V459 HydrophobicContact CD1-CG2 3.54Å; V457-V459 HydrophobicContact CG1-CG2 4Å; V459-I468 HydrophobicContact CG1-CD1 3.89Å; V459-K473 PolarHBondContact N-O 3.49Å; V459-I492 HydrophobicContact CB-CD1 4.06Å; V459-I492 HydrophobicContact CG1-CD1 3.95Å; V459-I492 HydrophobicContact CG2-CD1 3.66Å; V459-L507 HydrophobicContact CG1-CD1 3.52Å; V459-L507 HydrophobicContact CG1-CD2 4.19Å; V459-L507 HydrophobicContact CG1-CG 3.86Å; V459-N508 WeakPolarHBondContact CA-O 3.36Å; V459-I509 HydrophobicContact CG1-CG1 4.46Å; V459-I509 HydrophobicContact CG2-CG1 4.5Å
460	D	87.4	Confident	81.9	Confident	68 Å²	68	54 Å²	54	36%	0.364	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.6	-174	-175.5	57.6	0	0	0	111.9	K473 N508	D460-K473 IonicContact OD1-NZ 3.88Å; D460-N508 PolarHBondContact N-O 2.82Å; D460-N508 VanDerWaalsContact N-O 3.12Å; D460-N508 PolarHBondContact O-N 2.84Å; D460-N508 PolarHBondContact O-ND2 2.87Å
461	I	85.2	Confident	82.2	Confident	22 Å²	22	53.4 Å²	53.4	11%	0.113	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.3	-180	-65	173.7	0	0	0	109.4	F466 I468 I494 F505 L507	I461-F466 HydrophobicContact CD1-CB 3.78Å; I461-I468 HydrophobicContact CD1-CD1 3.94Å; I461-I468 HydrophobicContact CD1-CG1 3.71Å; I461-I468 HydrophobicContact CG1-CD1 3.9Å; I461-I468 HydrophobicContact CG1-CG1 4.17Å; I461-I494 HydrophobicContact CD1-CD1 4.32Å; I461-I494 HydrophobicContact CD1-CG2 3.88Å; I461-F505 HydrophobicContact CB-CD2 4.48Å; I461-F505 HydrophobicContact CD1-CD2 4.15Å; I461-F505 HydrophobicContact CD1-CE2 3.78Å; I461-F505 HydrophobicContact CD1-CZ 4.27Å; I461-F505 HydrophobicContact CG1-CD2 4.07Å; I461-F505 HydrophobicContact CG1-CE2 3.99Å; I461-F505 HydrophobicContact CG2-CB 4.06Å; I461-F505 HydrophobicContact CG2-CD2 3.67Å; I461-F505 HydrophobicContact CG2-CE2 4.38Å; I461-F505 HydrophobicContact CG2-CG 4.05Å; I461-L507 HydrophobicContact CD1-CD1 4.4Å; I461-L507 HydrophobicContact CG1-CD1 3.78Å
462	K	75.6	Confident	82.4	Confident	103 Å²	103	48.5 Å²	48.5	45%	0.448	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140	172.5	-80.8	168.2	-160.7	154	0	110.9	S464 Q506 N508	K462-S464 PolarHBondContact O-N 2.55Å; K462-Q506 PolarHBondContact N-O 3.44Å; K462-N508 WeakPolarHBondContact CD-ND2 3.45Å; K462-N508 WeakPolarHBondContact CD-OD1 3.38Å; K462-N508 WeakPolarHBondContact CE-ND2 3.3Å; K462-N508 WeakPolarHBondContact CE-OD1 3.49Å; K462-N508 VanDerWaalsContact CG-ND2 3.35Å; K462-N508 WeakPolarHBondContact CG-ND2 3.5Å; K462-N508 PolarHBondContact NZ-OD1 2.82Å
463	G	64.6	Low	82.5	Confident	83 Å²	83	52.4 Å²	52.4	86%	0.856	31%	0.306	S	S	*	.	S	Bend	trans	71.9	25.9	164.9	0	0	0	0	0	116.6
464	S	73.3	Confident	82.7	Confident	30 Å²	30	51.3 Å²	51.3	21%	0.21	31%	0.307	C	S	.	.	S	Bend	trans	-151.7	168.1	178.1	-165	0	0	0	0	113.9	K462 F466 T503 F505	K462-S464 PolarHBondContact O-N 2.55Å; S464-F466 VanDerWaalsContact C-N 3.28Å; S464-F466 PolarHBondContact O-N 3.13Å; S464-F466 WeakPolarHBondContact OG-CD2 3.29Å; S464-T503 PolarHBondContact OG-OG1 3.47Å; S464-F505 VanDerWaalsContact CB-CB 3.49Å
465	N	77.1	Confident	82.7	Confident	89 Å²	89	50 Å²	50	48%	0.476	30%	0.298	S	S	.	.	S	Bend	trans	-82	-0.5	-176.8	-60.4	-60.1	0	0	0	113.9	P497 A500	N465-P497 VanDerWaalsContact O-CD 3.24Å; N465-P497 WeakPolarHBondContact O-CD 3.23Å; N465-A500 HydrophobicContact CB-CB 3.6Å
466	F	81.2	Confident	82.6	Confident	12 Å²	12	56 Å²	56	5%	0.053	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-76.4	125.3	179.5	-73.3	-82.8	0	0	0	111.8	I402 H403 F406 I461 S464 I494 S495 C496 F505	I402-F466 HydrophobicContact CB-CZ 4.36Å; I402-F466 HydrophobicContact CD1-CE2 4.05Å; I402-F466 HydrophobicContact CD1-CZ 4.06Å; H403-F466 WeakPolarHBondContact O-CE1 2.12Å; F406-F466 HydrophobicContact CE1-CD1 4.35Å; F406-F466 AromaticContact CE1-CE1 3.85Å; F406-F466 HydrophobicContact CE1-CE1 3.85Å; F406-F466 HydrophobicContact CE1-CZ 4.5Å; I461-F466 HydrophobicContact CD1-CB 3.78Å; S464-F466 VanDerWaalsContact C-N 3.28Å; S464-F466 PolarHBondContact O-N 3.13Å; S464-F466 WeakPolarHBondContact OG-CD2 3.29Å; F466-I494 HydrophobicContact CB-CG2 3.83Å; F466-I494 HydrophobicContact CD1-CG2 3.75Å; F466-I494 HydrophobicContact CG-CG2 4.09Å; F466-S495 CarbonylContact C-O 3.58Å; F466-S495 WeakPolarHBondContact CA-O 3.46Å; F466-C496 HydrophobicContact CD1-CB 3.65Å; F466-C496 HydrophobicContact CE1-CB 3.55Å; F466-C496 HydrophobicContact CG-CB 4.36Å; F466-C496 HydrophobicContact CZ-CB 4.16Å; F466-F505 HydrophobicContact CB-CE1 4.5Å; F466-F505 HydrophobicContact CD1-CE1 4.37Å; F466-F505 AromaticContact CD2-CD1 3.34Å; F466-F505 HydrophobicContact CD2-CD1 3.34Å; F466-F505 AromaticContact CD2-CE1 3.57Å; F466-F505 HydrophobicContact CD2-CE1 3.57Å; F466-F505 HydrophobicContact CD2-CG 4.2Å; F466-F505 AromaticContact CE2-CD1 3.6Å; F466-F505 HydrophobicContact CE2-CD1 3.6Å; F466-F505 AromaticContact CE2-CE1 3.76Å; F466-F505 HydrophobicContact CE2-CE1 3.76Å; F466-F505 HydrophobicContact CG-CD1 4.08Å; F466-F505 AromaticContact CG-CE1 3.9Å; F466-F505 HydrophobicContact CG-CE1 3.9Å; F466-F505 HydrophobicContact CZ-CD1 4.48Å; F466-F505 HydrophobicContact CZ-CE1 4.24Å
467	G	82.3	Confident	82.6	Confident	36 Å²	36	54.6 Å²	54.6	37%	0.371	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.2	171.6	0	0	0	0	0	112.6	S495	G467-S495 PolarHBondContact N-O 3.49Å; G467-S495 PolarHBondContact O-N 3.18Å
468	I	85.5	Confident	82.6	Confident	21 Å²	21	62 Å²	62	11%	0.108	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.8	166.6	-56.3	-178.4	0	0	0	108.3	V459 I461 D472 K473 I492 I494 L507	V459-I468 HydrophobicContact CG1-CD1 3.89Å; I461-I468 HydrophobicContact CD1-CD1 3.94Å; I461-I468 HydrophobicContact CD1-CG1 3.71Å; I461-I468 HydrophobicContact CG1-CD1 3.9Å; I461-I468 HydrophobicContact CG1-CG1 4.17Å; I468-D472 HydrophobicContact CG2-CB 3.58Å; I468-K473 HydrophobicContact CB-CG 4.32Å; I468-K473 HydrophobicContact CG2-CG 4.15Å; I468-I492 HydrophobicContact CD1-CG2 4.27Å; I468-I492 HydrophobicContact CG2-CG2 3.81Å; I468-I494 HydrophobicContact CG1-CG1 4.36Å; I468-L507 HydrophobicContact CD1-CD1 4.08Å
469	N	80.8	Confident	82.5	Confident	61 Å²	61	63.8 Å²	63.8	33%	0.326	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-56.6	145.9	173.3	-67.7	8.8	0	0	0	111	E471 D472 K473	N469-E471 HydrophobicContact CB-CG 3.87Å; N469-E471 PolarHBondContact ND2-OE1 2.6Å; N469-E471 PolarHBondContact O-N 3.03Å; N469-D472 HydrophobicContact CB-CB 4.18Å; N469-D472 WeakPolarHBondContact O-CA 3.18Å; N469-D472 PolarHBondContact O-N 2.71Å; N469-K473 PolarHBondContact O-N 2.87Å
470	S	77	Confident	82.3	Confident	115 Å²	115	66.6 Å²	66.6	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.6	178.7	46.3	0	0	0	0	113.2	D472	S470-D472 PolarHBondContact O-N 3.13Å
471	E	78.6	Confident	82.2	Confident	129 Å²	129	66.7 Å²	66.7	60%	0.603	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.2	173.4	75.3	-161.3	144.2	0	0	114.4	N469 K475	N469-E471 HydrophobicContact CB-CG 3.87Å; N469-E471 PolarHBondContact ND2-OE1 2.6Å; N469-E471 PolarHBondContact O-N 3.03Å; E471-K475 PolarHBondContact O-NZ 2.97Å
472	D	82.4	Confident	82.2	Confident	11 Å²	11	65.7 Å²	65.7	6%	0.059	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-12.7	-175.1	-77.4	-19.7	0	0	0	113.1	I468 N469 S470 V474 K475 I492 S493	I468-D472 HydrophobicContact CG2-CB 3.58Å; N469-D472 HydrophobicContact CB-CB 4.18Å; N469-D472 WeakPolarHBondContact O-CA 3.18Å; N469-D472 PolarHBondContact O-N 2.71Å; S470-D472 PolarHBondContact O-N 3.13Å; D472-V474 VanDerWaalsContact C-N 3.35Å; D472-V474 PolarHBondContact O-N 2.86Å; D472-K475 WeakPolarHBondContact OD1-CE 3.26Å; D472-K475 IonicContact OD1-NZ 3.82Å; D472-K475 PolarHBondContact OD1-NZ 3.28Å; D472-I492 HydrophobicContact CB-CG2 4.19Å; D472-S493 WeakPolarHBondContact OD2-CA 3.36Å; D472-S493 WeakPolarHBondContact OD2-CB 2.99Å; D472-S493 PolarHBondContact OD2-N 3.49Å; D472-S493 PolarHBondContact OD2-OG 3Å
473	K	83.5	Confident	82.6	Confident	94 Å²	94	62 Å²	62	41%	0.409	35%	0.346	S	S	.	.	S	Bend	trans	-68.3	-24.8	178.6	-71.5	-159.3	173.3	-148.8	0	115.1	G458 V459 D460 I468 N469	G458-K473 CarbonylContact C-O 3.59Å; G458-K473 WeakPolarHBondContact CA-O 3.28Å; V459-K473 PolarHBondContact N-O 3.49Å; D460-K473 IonicContact OD1-NZ 3.88Å; I468-K473 HydrophobicContact CB-CG 4.32Å; I468-K473 HydrophobicContact CG2-CG 4.15Å; N469-K473 PolarHBondContact O-N 2.87Å
474	V	87.1	Confident	83.5	Confident	71 Å²	71	62.1 Å²	62.1	43%	0.43	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.3	179.6	-176.2	0	0	0	0	109.5	T456 V457 D472	T456-V474 HydrophobicContact CG2-CG1 3.87Å; V457-V474 WeakPolarHBondContact O-CA 3.14Å; D472-V474 VanDerWaalsContact C-N 3.35Å; D472-V474 PolarHBondContact O-N 2.86Å
475	K	88.8	Confident	83.6	Confident	39 Å²	39	61.3 Å²	61.3	17%	0.17	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.9	176.3	-60.8	-59.9	-175	-165.2	0	110.5	T456 V457 E471 D472 L490 P491	T456-K475 WeakPolarHBondContact CA-O 3.15Å; V457-K475 PolarHBondContact N-O 3.44Å; V457-K475 PolarHBondContact O-N 2.81Å; E471-K475 PolarHBondContact O-NZ 2.97Å; D472-K475 WeakPolarHBondContact OD1-CE 3.26Å; D472-K475 IonicContact OD1-NZ 3.82Å; D472-K475 PolarHBondContact OD1-NZ 3.28Å; K475-L490 HydrophobicContact CB-CB 4.41Å; K475-L490 HydrophobicContact CB-CD1 3.98Å; K475-L490 HydrophobicContact CB-CD2 4.39Å; K475-L490 HydrophobicContact CB-CG 4.49Å; K475-L490 HydrophobicContact CG-CB 4.28Å; K475-P491 WeakPolarHBondContact CE-O 3.35Å
476	H	88.2	Confident	83.9	Confident	138 Å²	138	59.6 Å²	59.6	64%	0.639	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.1	179.4	-61.1	-90.8	0	0	0	111.1	T456	T456-H476 WeakPolarHBondContact CG2-ND1 3.14Å
477	V	89.3	Confident	84.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.7	174.6	171.6	0	0	0	0	108.7	V412 D454 F455 V457 L482 L488 L490	V412-V477 HydrophobicContact CG2-CG2 4.3Å; D454-V477 WeakPolarHBondContact CA-O 3.42Å; F455-V477 HydrophobicContact CD1-CG1 4.37Å; F455-V477 HydrophobicContact CD2-CB 3.93Å; F455-V477 HydrophobicContact CD2-CG1 4.43Å; F455-V477 HydrophobicContact CD2-CG2 4.28Å; F455-V477 HydrophobicContact CE1-CB 4.42Å; F455-V477 HydrophobicContact CE1-CG1 3.89Å; F455-V477 HydrophobicContact CE2-CB 3.75Å; F455-V477 HydrophobicContact CE2-CG1 3.95Å; F455-V477 HydrophobicContact CE2-CG2 3.82Å; F455-V477 HydrophobicContact CG-CB 4.35Å; F455-V477 HydrophobicContact CZ-CB 4.02Å; F455-V477 HydrophobicContact CZ-CG1 3.67Å; F455-V477 HydrophobicContact CZ-CG2 4.32Å; F455-V477 PolarHBondContact N-O 2.81Å; F455-V477 PolarHBondContact O-N 3.17Å; V457-V477 HydrophobicContact CG2-CG2 4.21Å; V477-L482 HydrophobicContact CG1-CD1 3.71Å; V477-L482 HydrophobicContact CG1-CD2 4.04Å; V477-L482 HydrophobicContact CG1-CG 3.87Å; V477-L488 HydrophobicContact CB-CD1 4.34Å; V477-L488 HydrophobicContact CG1-CD1 3.68Å; V477-L488 HydrophobicContact CG2-CD1 4.11Å; V477-L490 HydrophobicContact CG2-CD1 3.92Å
478	R	89	Confident	84.4	Confident	154 Å²	154	58.6 Å²	58.6	58%	0.581	30%	0.302	S	S	*	.			trans	-94	140	-177.8	-59.1	-174	-179.2	173.9	0.3	112.2	S480 Q481 L482	R478-S480 PolarHBondContact O-N 3.27Å; R478-S480 VanDerWaalsContact O-N 3.15Å; R478-Q481 HydrophobicContact CB-CG 4.3Å; R478-Q481 VanDerWaalsContact N-OE1 3.1Å; R478-Q481 WeakPolarHBondContact O-CB 3.32Å; R478-Q481 PolarHBondContact O-N 3.25Å; R478-L482 PolarHBondContact O-N 2.99Å
479	Q	86.4	Confident	84.5	Confident	56 Å²	56	61 Å²	61	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-50.4	-39.8	173.3	-171.9	-153.1	60.3	0	0	111.4	L452 D454 Q481 L482 K483	L452-Q479 HydrophobicContact CB-CG 4.19Å; L452-Q479 HydrophobicContact CD2-CG 3.9Å; L452-Q479 HydrophobicContact CG-CG 3.88Å; L452-Q479 WeakPolarHBondContact O-CG 3.25Å; L452-Q479 PolarHBondContact O-NE2 3.05Å; D454-Q479 VanDerWaalsContact OD1-CB 3.22Å; D454-Q479 WeakPolarHBondContact OD1-CB 3.44Å; D454-Q479 PolarHBondContact OD1-N 3.26Å; Q479-Q481 VanDerWaalsContact C-N 3.34Å; Q479-Q481 PolarHBondContact O-N 3.46Å; Q479-L482 PolarHBondContact O-N 3.4Å; Q479-K483 HydrophobicContact CG-CD 4.33Å; Q479-K483 HydrophobicContact CG-CG 4.41Å; Q479-K483 WeakPolarHBondContact O-CG 3.22Å; Q479-K483 PolarHBondContact O-N 3.22Å
480	S	84.8	Confident	84.9	Confident	65 Å²	65	59 Å²	59	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-35.4	179.8	55.3	0	0	0	0	113.5	R478 I484	R478-S480 PolarHBondContact O-N 3.27Å; R478-S480 VanDerWaalsContact O-N 3.15Å; S480-I484 WeakPolarHBondContact O-CD1 3.42Å; S480-I484 VanDerWaalsContact O-CG1 3.26Å; S480-I484 WeakPolarHBondContact O-CG1 3.2Å; S480-I484 PolarHBondContact O-N 2.78Å
481	Q	86.1	Confident	85.4	Confident	70 Å²	70	54.8 Å²	54.8	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-70.4	-40.6	176.7	-64.5	168.8	-54.6	0	0	111	R478 Q479 I484 G485 T486 L488	R478-Q481 HydrophobicContact CB-CG 4.3Å; R478-Q481 VanDerWaalsContact N-OE1 3.1Å; R478-Q481 WeakPolarHBondContact O-CB 3.32Å; R478-Q481 PolarHBondContact O-N 3.25Å; Q479-Q481 VanDerWaalsContact C-N 3.34Å; Q479-Q481 PolarHBondContact O-N 3.46Å; Q481-I484 PolarHBondContact O-N 3.2Å; Q481-G485 PolarHBondContact O-N 2.95Å; Q481-T486 PolarHBondContact O-N 2.6Å; Q481-L488 HydrophobicContact CB-CD1 4.08Å; Q481-L488 HydrophobicContact CB-CD2 4.05Å; Q481-L488 HydrophobicContact CB-CG 4.44Å; Q481-L488 HydrophobicContact CG-CD2 4.32Å
482	L	84.8	Confident	85.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-37.5	176.5	-61.7	173.1	0	0	0	112.2	W385 I392 V412 L452 F455 V477 R478 Q479 I484 G485	W385-L482 WeakPolarHBondContact CZ2-O 3.49Å; I392-L482 HydrophobicContact CD1-CD1 4.03Å; V412-L482 HydrophobicContact CG1-CD2 4.13Å; L452-L482 HydrophobicContact CD1-CB 4.06Å; L452-L482 HydrophobicContact CD1-CD1 3.91Å; L452-L482 HydrophobicContact CD2-CB 3.98Å; L452-L482 HydrophobicContact CG-CB 4.33Å; L452-L482 HydrophobicContact CG-CD1 4.47Å; F455-L482 HydrophobicContact CD1-CD1 4.38Å; F455-L482 HydrophobicContact CE1-CD1 3.62Å; F455-L482 HydrophobicContact CZ-CD1 4.3Å; V477-L482 HydrophobicContact CG1-CD1 3.71Å; V477-L482 HydrophobicContact CG1-CD2 4.04Å; V477-L482 HydrophobicContact CG1-CG 3.87Å; R478-L482 PolarHBondContact O-N 2.99Å; Q479-L482 PolarHBondContact O-N 3.4Å; L482-I484 VanDerWaalsContact C-N 3.28Å; L482-I484 PolarHBondContact O-N 2.96Å; L482-G485 WeakPolarHBondContact O-CA 3.49Å; L482-G485 PolarHBondContact O-N 3.15Å
483	K	84.4	Confident	86	Confident	27 Å²	27	49.4 Å²	49.4	12%	0.117	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-39.3	174.1	-81.2	-177.3	168.8	171.8	0	112.2	L452 Q479 G485	L452-K483 HydrophobicContact CD2-CG 3.67Å; Q479-K483 HydrophobicContact CG-CD 4.33Å; Q479-K483 HydrophobicContact CG-CG 4.41Å; Q479-K483 WeakPolarHBondContact O-CG 3.22Å; Q479-K483 PolarHBondContact O-N 3.22Å; K483-G485 PolarHBondContact O-N 3.22Å
484	I	82.4	Confident	86.2	Confident	85 Å²	85	44.9 Å²	44.9	44%	0.436	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.6	176.1	-58.8	165.7	0	0	0	111.6	N284 S480 Q481 L482 T486	N284-I484 WeakPolarHBondContact CB-O 3.25Å; N284-I484 PolarHBondContact ND2-O 3.32Å; S480-I484 WeakPolarHBondContact O-CD1 3.42Å; S480-I484 VanDerWaalsContact O-CG1 3.26Å; S480-I484 WeakPolarHBondContact O-CG1 3.2Å; S480-I484 PolarHBondContact O-N 2.78Å; Q481-I484 PolarHBondContact O-N 3.2Å; L482-I484 VanDerWaalsContact C-N 3.28Å; L482-I484 PolarHBondContact O-N 2.96Å; I484-T486 WeakPolarHBondContact CG2-OG1 3.14Å; I484-T486 PolarHBondContact O-N 2.93Å
485	G	77.1	Confident	86	Confident	12 Å²	12	43.8 Å²	43.8	12%	0.124	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	12.2	179.4	0	0	0	0	0	114.2	P279 Q481 L482 K483	P279-G485 WeakPolarHBondContact CD-O 2.95Å; Q481-G485 PolarHBondContact O-N 2.95Å; L482-G485 WeakPolarHBondContact O-CA 3.49Å; L482-G485 PolarHBondContact O-N 3.15Å; K483-G485 PolarHBondContact O-N 3.22Å
486	T	81.9	Confident	85.6	Confident	53 Å²	53	42.5 Å²	42.5	33%	0.325	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-68.2	132.7	-178.7	-54.8	0	0	0	0	110.7	Q481 I484 L488	Q481-T486 PolarHBondContact O-N 2.6Å; I484-T486 WeakPolarHBondContact CG2-OG1 3.14Å; I484-T486 PolarHBondContact O-N 2.93Å; T486-L488 PolarHBondContact O-N 3.49Å
487	V	86.2	Confident	84.9	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.055	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-70.6	117.3	171	-178.3	0	0	0	0	108.9	L277 N278 V411 C413	L277-V487 HydrophobicContact CB-CG2 3.58Å; L277-V487 WeakPolarHBondContact O-CG2 3.1Å; N278-V487 WeakPolarHBondContact OD1-CB 3.31Å; N278-V487 PolarHBondContact OD1-N 2.7Å; V411-V487 HydrophobicContact CG1-CG1 3.55Å; C413-V487 HydrophobicContact CB-CG1 4.25Å; C413-V487 HydrophobicContact CB-CG2 4.1Å
488	L	87.9	Confident	83.4	Confident	19 Å²	19	50.4 Å²	50.4	10%	0.099	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.9	178.1	-66.1	175.7	0	0	0	110	V411 V412 V477 Q481 T486	V411-L488 VanDerWaalsContact CA-O 3.32Å; V411-L488 WeakPolarHBondContact CA-O 3.38Å; V412-L488 HydrophobicContact CB-CB 4.27Å; V412-L488 PolarHBondContact N-O 3.22Å; V412-L488 PolarHBondContact O-N 2.85Å; V477-L488 HydrophobicContact CB-CD1 4.34Å; V477-L488 HydrophobicContact CG1-CD1 3.68Å; V477-L488 HydrophobicContact CG2-CD1 4.11Å; Q481-L488 HydrophobicContact CB-CD1 4.08Å; Q481-L488 HydrophobicContact CB-CD2 4.05Å; Q481-L488 HydrophobicContact CB-CG 4.44Å; Q481-L488 HydrophobicContact CG-CD2 4.32Å; T486-L488 PolarHBondContact O-N 3.49Å
489	H	88.3	Confident	82	Confident	70 Å²	70	53.3 Å²	53.3	32%	0.324	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.5	173	-61.5	-79	0	0	0	108.7	V409 F424 P491	V409-H489 HydrophobicContact CG1-CB 3.94Å; F424-H489 HydrophobicContact CE2-CB 4.12Å; H489-P491 WeakPolarHBondContact O-CD 3.17Å
490	L	89.6	Confident	80.9	Confident	21 Å²	21	52 Å²	52	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	90.2	-176	-55	175.5	0	0	0	108.6	V409 I410 V412 V457 K475 V477	V409-L490 WeakPolarHBondContact CA-O 2.9Å; I410-L490 HydrophobicContact CB-CB 4.27Å; I410-L490 PolarHBondContact N-O 3.09Å; I410-L490 WeakPolarHBondContact O-CB 3.28Å; I410-L490 PolarHBondContact O-N 3.26Å; V412-L490 HydrophobicContact CG2-CD1 3.87Å; V457-L490 HydrophobicContact CG2-CD1 4.37Å; K475-L490 HydrophobicContact CB-CB 4.41Å; K475-L490 HydrophobicContact CB-CD1 3.98Å; K475-L490 HydrophobicContact CB-CD2 4.39Å; K475-L490 HydrophobicContact CB-CG 4.49Å; K475-L490 HydrophobicContact CG-CB 4.28Å; V477-L490 HydrophobicContact CG2-CD1 3.92Å
491	P	87.5	Confident	79.9	Confident	26 Å²	26	56.2 Å²	56.2	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	145.1	178.4	29	-34.8	0	0	0	111.6	K407 V408 V409 F424 K475 H489	K407-P491 HydrophobicContact CD-CB 4.41Å; V408-P491 CarbonylContact O-C 3.52Å; V408-P491 WeakPolarHBondContact O-CA 3.39Å; V409-P491 HydrophobicContact CG2-CB 4.37Å; F424-P491 HydrophobicContact CZ-CB 4.06Å; F424-P491 HydrophobicContact CZ-CG 4.45Å; K475-P491 WeakPolarHBondContact CE-O 3.35Å; H489-P491 WeakPolarHBondContact O-CD 3.17Å
492	I	87.4	Confident	79.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.3	-177.7	-63.9	-178.5	0	0	0	107.5	K407 V408 I410 V459 I468 D472 I494	K407-I492 VanDerWaalsContact CA-O 3.31Å; K407-I492 WeakPolarHBondContact CA-O 3.44Å; V408-I492 PolarHBondContact N-O 2.83Å; V408-I492 PolarHBondContact O-N 2.84Å; I410-I492 HydrophobicContact CD1-CD1 3.6Å; I410-I492 HydrophobicContact CG1-CD1 3.94Å; V459-I492 HydrophobicContact CB-CD1 4.06Å; V459-I492 HydrophobicContact CG1-CD1 3.95Å; V459-I492 HydrophobicContact CG2-CD1 3.66Å; I468-I492 HydrophobicContact CD1-CG2 4.27Å; I468-I492 HydrophobicContact CG2-CG2 3.81Å; D472-I492 HydrophobicContact CB-CG2 4.19Å; I492-I494 HydrophobicContact CG2-CG1 4.1Å
493	S	86	Confident	78.9	Confident	26 Å²	26	58.3 Å²	58.3	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.1	-179.2	-42.8	0	0	0	0	109.2	D472	D472-S493 WeakPolarHBondContact OD2-CA 3.36Å; D472-S493 WeakPolarHBondContact OD2-CB 2.99Å; D472-S493 PolarHBondContact OD2-N 3.49Å; D472-S493 PolarHBondContact OD2-OG 3Å
494	I	86.7	Confident	78.9	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132	179.5	-52.3	-171.7	0	0	0	108.3	S405 F406 V408 I461 F466 I468 I492 F505 L507	S405-I494 WeakPolarHBondContact CA-O 3.31Å; F406-I494 HydrophobicContact CE1-CB 4.41Å; F406-I494 HydrophobicContact CE1-CG2 4.31Å; F406-I494 HydrophobicContact CE2-CB 4.14Å; F406-I494 HydrophobicContact CE2-CD1 4.11Å; F406-I494 HydrophobicContact CE2-CG1 4.49Å; F406-I494 HydrophobicContact CZ-CB 4.08Å; F406-I494 HydrophobicContact CZ-CD1 4.4Å; F406-I494 HydrophobicContact CZ-CG2 4.02Å; F406-I494 PolarHBondContact N-O 2.82Å; F406-I494 PolarHBondContact O-N 2.71Å; V408-I494 HydrophobicContact CB-CD1 4.18Å; V408-I494 HydrophobicContact CG2-CD1 3.51Å; V408-I494 HydrophobicContact CG2-CG1 4.3Å; I461-I494 HydrophobicContact CD1-CD1 4.32Å; I461-I494 HydrophobicContact CD1-CG2 3.88Å; F466-I494 HydrophobicContact CB-CG2 3.83Å; F466-I494 HydrophobicContact CD1-CG2 3.75Å; F466-I494 HydrophobicContact CG-CG2 4.09Å; I468-I494 HydrophobicContact CG1-CG1 4.36Å; I492-I494 HydrophobicContact CG2-CG1 4.1Å; I494-F505 HydrophobicContact CD1-CE2 4.41Å; I494-F505 HydrophobicContact CD1-CZ 4.12Å; I494-F505 HydrophobicContact CG2-CZ 4.24Å; I494-L507 HydrophobicContact CD1-CD1 4.35Å
495	S	84.1	Confident	79	Confident	47 Å²	47	57.3 Å²	57.3	33%	0.329	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.6	-178.3	66.1	0	0	0	0	112.8	P404 F466 G467	P404-S495 WeakPolarHBondContact O-CA 3.23Å; F466-S495 CarbonylContact C-O 3.58Å; F466-S495 WeakPolarHBondContact CA-O 3.46Å; G467-S495 PolarHBondContact N-O 3.49Å; G467-S495 PolarHBondContact O-N 3.18Å
496	C	79.9	Confident	79.5	Confident	12 Å²	12	60.6 Å²	60.6	8%	0.081	31%	0.311	C	S	.	.			trans	-117.1	135.1	177.3	-170.3	0	0	0	0	109.8	P404 F466 R498	P404-C496 PolarHBondContact O-N 2.72Å; F466-C496 HydrophobicContact CD1-CB 3.65Å; F466-C496 HydrophobicContact CE1-CB 3.55Å; F466-C496 HydrophobicContact CG-CB 4.36Å; F466-C496 HydrophobicContact CZ-CB 4.16Å; C496-R498 PolarHBondContact O-N 3.33Å
497	P	73.4	Confident	79.9	Confident	83 Å²	83	58.1 Å²	58.1	54%	0.539	30%	0.295	S	S	.	.			trans	-62.1	136.1	174.5	25.7	-33.2	0	0	0	110.5	N465 K499 A500	N465-P497 VanDerWaalsContact O-CD 3.24Å; N465-P497 WeakPolarHBondContact O-CD 3.23Å; P497-K499 PolarHBondContact O-N 2.99Å; P497-A500 HydrophobicContact CG-CB 4.05Å; P497-A500 PolarHBondContact O-N 2.94Å
498	R	56.6	Low	80	Confident	223 Å²	223	57.8 Å²	57.8	84%	0.842	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-0.5	-168	-69.4	-173.9	177.9	-174.4	-0.4	117.7	C496	C496-R498 PolarHBondContact O-N 3.33Å
499	K	59.8	Low	80.2	Confident	214 Å²	214	56.9 Å²	56.9	93%	0.93	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-6	179.3	-66.1	-172.8	177.9	-176.6	0	114.2	P497	P497-K499 PolarHBondContact O-N 2.99Å
500	A	63.7	Low	80.2	Confident	29 Å²	29	57.3 Å²	57.3	24%	0.24	29%	0.291	C	S	.	.	S	Bend	trans	-91.4	150	-177.1	0	0	0	0	0	112.3	N465 P497	N465-A500 HydrophobicContact CB-CB 3.6Å; P497-A500 HydrophobicContact CG-CB 4.05Å; P497-A500 PolarHBondContact O-N 2.94Å
501	E	64.1	Low	80.1	Confident	154 Å²	154	56.3 Å²	56.3	72%	0.72	29%	0.285	S	S	*	.			trans	-71.5	146.1	177.4	-62.3	-171.9	153.2	0	0	111.9	T503	E501-T503 PolarHBondContact O-N 3.48Å
502	M	72.6	Confident	80.1	Confident	63 Å²	63	56.9 Å²	56.9	31%	0.31	29%	0.288	S	S	.	.			trans	-90.2	72.3	-179.5	-64.4	-178.4	-170.2	0	0	110.6	I402 P404 A530	I402-M502 HydrophobicContact CD1-CB 4.27Å; P404-M502 HydrophobicContact CB-CE 3.63Å; P404-M502 HydrophobicContact CG-CE 3.97Å; M502-A530 HydrophobicContact CB-CB 4.3Å
503	T	77.9	Confident	79.8	Confident	51 Å²	51	58.8 Å²	58.8	31%	0.313	30%	0.297	S	S	.	.			trans	-76	145.2	172.2	54.1	0	0	0	0	111.3	I402 S464 E501	I402-T503 VanDerWaalsContact CD1-O 3.3Å; I402-T503 WeakPolarHBondContact CD1-O 2.47Å; S464-T503 PolarHBondContact OG-OG1 3.47Å; E501-T503 PolarHBondContact O-N 3.48Å
504	P	83.1	Confident	78.8	Confident	84 Å²	84	59.3 Å²	59.3	55%	0.545	30%	0.301	S	S	.	.			trans	-58.6	142.5	165.1	-18.4	31.3	0	0	0	110.2	S527	P504-S527 WeakPolarHBondContact CA-OG 3.37Å
505	F	85.9	Confident	77.5	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.035	35%	0.347	C	S	.	.			trans	-132.4	165.6	-174.9	65.6	-94.8	0	0	0	112	I402 F406 W442 I461 S464 F466 I494 L507 S527	I402-F505 HydrophobicContact CG2-CE1 3.98Å; F406-F505 HydrophobicContact CZ-CE1 4.06Å; F406-F505 AromaticContact CZ-CZ 3.97Å; F406-F505 HydrophobicContact CZ-CZ 3.97Å; W442-F505 HydrophobicContact CH2-CZ 4.43Å; W442-F505 HydrophobicContact CZ3-CZ 4.37Å; I461-F505 HydrophobicContact CB-CD2 4.48Å; I461-F505 HydrophobicContact CD1-CD2 4.15Å; I461-F505 HydrophobicContact CD1-CE2 3.78Å; I461-F505 HydrophobicContact CD1-CZ 4.27Å; I461-F505 HydrophobicContact CG1-CD2 4.07Å; I461-F505 HydrophobicContact CG1-CE2 3.99Å; I461-F505 HydrophobicContact CG2-CB 4.06Å; I461-F505 HydrophobicContact CG2-CD2 3.67Å; I461-F505 HydrophobicContact CG2-CE2 4.38Å; I461-F505 HydrophobicContact CG2-CG 4.05Å; S464-F505 VanDerWaalsContact CB-CB 3.49Å; F466-F505 HydrophobicContact CB-CE1 4.5Å; F466-F505 HydrophobicContact CD1-CE1 4.37Å; F466-F505 AromaticContact CD2-CD1 3.34Å; F466-F505 HydrophobicContact CD2-CD1 3.34Å; F466-F505 AromaticContact CD2-CE1 3.57Å; F466-F505 HydrophobicContact CD2-CE1 3.57Å; F466-F505 HydrophobicContact CD2-CG 4.2Å; F466-F505 AromaticContact CE2-CD1 3.6Å; F466-F505 HydrophobicContact CE2-CD1 3.6Å; F466-F505 AromaticContact CE2-CE1 3.76Å; F466-F505 HydrophobicContact CE2-CE1 3.76Å; F466-F505 HydrophobicContact CG-CD1 4.08Å; F466-F505 AromaticContact CG-CE1 3.9Å; F466-F505 HydrophobicContact CG-CE1 3.9Å; F466-F505 HydrophobicContact CZ-CD1 4.48Å; F466-F505 HydrophobicContact CZ-CE1 4.24Å; I494-F505 HydrophobicContact CD1-CE2 4.41Å; I494-F505 HydrophobicContact CD1-CZ 4.12Å; I494-F505 HydrophobicContact CG2-CZ 4.24Å; F505-L507 HydrophobicContact CE2-CB 4.44Å; F505-L507 HydrophobicContact CE2-CD1 4.44Å; F505-S527 PolarHBondContact N-OG 2.85Å; F505-S527 PolarHBondContact O-N 2.88Å; F505-S527 PolarHBondContact O-OG 3.06Å
506	Q	87.9	Confident	76.3	Confident	81 Å²	81	68.7 Å²	68.7	38%	0.379	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.4	172.6	-70.5	178.8	-13.2	0	0	110.3	K462	K462-Q506 PolarHBondContact N-O 3.44Å
507	L	89.1	Confident	75	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.4	170.1	-167.4	72.2	0	0	0	108.3	V396 V408 V459 I461 I468 I494 F505 I509 Q524 V525	V396-L507 HydrophobicContact CG1-CD2 3.97Å; V408-L507 HydrophobicContact CG1-CD2 4.34Å; V459-L507 HydrophobicContact CG1-CD1 3.52Å; V459-L507 HydrophobicContact CG1-CD2 4.19Å; V459-L507 HydrophobicContact CG1-CG 3.86Å; I461-L507 HydrophobicContact CD1-CD1 4.4Å; I461-L507 HydrophobicContact CG1-CD1 3.78Å; I468-L507 HydrophobicContact CD1-CD1 4.08Å; I494-L507 HydrophobicContact CD1-CD1 4.35Å; F505-L507 HydrophobicContact CE2-CB 4.44Å; F505-L507 HydrophobicContact CE2-CD1 4.44Å; L507-I509 HydrophobicContact CD2-CD1 4.16Å; L507-I509 HydrophobicContact CD2-CG1 4.39Å; L507-I509 HydrophobicContact CG-CG1 4.39Å; L507-Q524 CarbonylContact O-C 3.51Å; L507-Q524 WeakPolarHBondContact O-CA 3.32Å; L507-V525 PolarHBondContact N-O 3.44Å; L507-V525 PolarHBondContact O-N 2.94Å
508	N	89.7	Confident	74.4	Confident	3 Å²	3	74 Å²	74	2%	0.016	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137	171.1	-42.2	-84	0	0	0	108.6	V459 D460 K462 Q524	V459-N508 WeakPolarHBondContact CA-O 3.36Å; D460-N508 PolarHBondContact N-O 2.82Å; D460-N508 VanDerWaalsContact N-O 3.12Å; D460-N508 PolarHBondContact O-N 2.84Å; D460-N508 PolarHBondContact O-ND2 2.87Å; K462-N508 WeakPolarHBondContact CD-ND2 3.45Å; K462-N508 WeakPolarHBondContact CD-OD1 3.38Å; K462-N508 WeakPolarHBondContact CE-ND2 3.3Å; K462-N508 WeakPolarHBondContact CE-OD1 3.49Å; K462-N508 VanDerWaalsContact CG-ND2 3.35Å; K462-N508 WeakPolarHBondContact CG-ND2 3.5Å; K462-N508 PolarHBondContact NZ-OD1 2.82Å; N508-Q524 PolarHBondContact OD1-NE2 3.24Å
509	I	90.3	Very high	74.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.8	176.2	-64.2	172.4	0	0	0	108.3	V394 V396 I410 V457 G458 V459 L507 D522 F523	V394-I509 HydrophobicContact CG1-CG2 4.4Å; V396-I509 HydrophobicContact CG2-CD1 3.2Å; I410-I509 HydrophobicContact CD1-CD1 3.68Å; I410-I509 HydrophobicContact CD1-CG1 4.06Å; I410-I509 HydrophobicContact CD1-CG2 4.42Å; I410-I509 HydrophobicContact CG1-CD1 4.24Å; V457-I509 HydrophobicContact CG1-CG2 3.66Å; G458-I509 WeakPolarHBondContact O-CA 3.38Å; V459-I509 HydrophobicContact CG1-CG1 4.46Å; V459-I509 HydrophobicContact CG2-CG1 4.5Å; L507-I509 HydrophobicContact CD2-CD1 4.16Å; L507-I509 HydrophobicContact CD2-CG1 4.39Å; L507-I509 HydrophobicContact CG-CG1 4.39Å; I509-D522 WeakPolarHBondContact O-CA 3.45Å; I509-F523 HydrophobicContact CB-CD1 4.27Å; I509-F523 HydrophobicContact CB-CE1 3.8Å; I509-F523 HydrophobicContact CB-CE2 4.12Å; I509-F523 HydrophobicContact CB-CZ 3.71Å; I509-F523 HydrophobicContact CD1-CE2 3.92Å; I509-F523 HydrophobicContact CD1-CZ 3.89Å; I509-F523 HydrophobicContact CG1-CZ 4.4Å; I509-F523 HydrophobicContact CG2-CD1 4.43Å; I509-F523 HydrophobicContact CG2-CE1 3.58Å; I509-F523 HydrophobicContact CG2-CZ 3.63Å; I509-F523 PolarHBondContact N-O 2.9Å; I509-F523 PolarHBondContact O-N 2.82Å; I509-F523 VanDerWaalsContact O-N 3.1Å
510	Q	89.6	Confident	75.3	Confident	78 Å²	78	59.5 Å²	59.5	36%	0.364	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116	179.6	-72.6	179.5	-18.1	0	0	109.3	G458 T519 A521 D522	G458-Q510 PolarHBondContact N-O 3.2Å; G458-Q510 PolarHBondContact O-N 3.14Å; Q510-T519 HydrophobicContact CB-CG2 4.2Å; Q510-T519 HydrophobicContact CG-CG2 4.34Å; Q510-A521 WeakPolarHBondContact CA-O 3.21Å; Q510-D522 HydrophobicContact CG-CB 4.14Å; Q510-D522 VanDerWaalsContact CG-CG 3.48Å; Q510-D522 WeakPolarHBondContact CG-OD2 3.33Å; Q510-D522 PolarHBondContact NE2-OD2 2.77Å
511	V	87.9	Confident	76	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.9	172.1	-176	0	0	0	0	107.7	V394 F447 F455 T456 T520 A521	V394-V511 HydrophobicContact CG2-CG2 4.31Å; F447-V511 HydrophobicContact CE1-CG1 4.08Å; F447-V511 HydrophobicContact CE1-CG2 4.33Å; F447-V511 HydrophobicContact CZ-CG1 3.9Å; F455-V511 HydrophobicContact CB-CG1 4.38Å; F455-V511 HydrophobicContact CD2-CG1 3.65Å; F455-V511 HydrophobicContact CE2-CG1 4.01Å; F455-V511 HydrophobicContact CG-CG1 4.08Å; T456-V511 WeakPolarHBondContact O-CA 3.32Å; V511-T520 WeakPolarHBondContact O-CB 3.39Å; V511-T520 PolarHBondContact O-N 2.8Å; V511-A521 HydrophobicContact CB-CB 4.27Å; V511-A521 HydrophobicContact CG2-CB 4.38Å; V511-A521 PolarHBondContact N-O 3.31Å; V511-A521 PolarHBondContact O-N 2.97Å
512	V	85.9	Confident	77	Confident	38 Å²	38	54.9 Å²	54.9	23%	0.23	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.8	179.8	-175.9	0	0	0	0	109.1	F455 T456 T519	F455-V512 WeakPolarHBondContact CA-O 3.31Å; F455-V512 WeakPolarHBondContact CB-O 3.38Å; T456-V512 PolarHBondContact N-O 3.28Å; T456-V512 PolarHBondContact O-N 3.33Å; T456-V512 PolarHBondContact OG1-O 3.42Å; V512-T519 HydrophobicContact CG2-CG2 4.42Å
513	E	81.1	Confident	77.7	Confident	41 Å²	41	52.9 Å²	52.9	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.2	177.9	-172.9	-177	-126	0	0	111.3	K453 H515 S516 T520	K453-E513 HydrophobicContact CB-CG 4.04Å; K453-E513 WeakPolarHBondContact CB-OE1 3.38Å; K453-E513 HydrophobicContact CD-CG 4.19Å; K453-E513 VanDerWaalsContact CD-OE1 3.28Å; K453-E513 WeakPolarHBondContact CD-OE1 3.05Å; K453-E513 VanDerWaalsContact CG-OE1 3.24Å; K453-E513 WeakPolarHBondContact CG-OE1 3.27Å; K453-E513 IonicContact NZ-OE1 3.1Å; K453-E513 PolarHBondContact NZ-OE1 3.26Å; K453-E513 IonicContact NZ-OE2 2.75Å; K453-E513 PolarHBondContact NZ-OE2 3.18Å; E513-H515 PolarHBondContact O-N 3.43Å; E513-S516 PolarHBondContact O-N 2.92Å; E513-S516 PolarHBondContact O-OG 2.85Å; E513-T520 PolarHBondContact N-OG1 2.87Å
514	S	66.6	Low	78.2	Confident	37 Å²	37	55.2 Å²	55.2	26%	0.259	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	135.9	-177.1	-51.2	0	0	0	0	111.3	D454 S516	D454-S514 WeakPolarHBondContact O-CB 3.35Å; D454-S514 PolarHBondContact O-N 3.01Å; D454-S514 PolarHBondContact O-OG 3.26Å; S514-S516 VanDerWaalsContact C-N 3.26Å; S514-S516 PolarHBondContact O-N 3.21Å
515	H	57.8	Low	78.4	Confident	208 Å²	208	51.5 Å²	51.5	96%	0.963	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	8.8	-174	-44.2	-80.5	0	0	0	115.9	E513	E513-H515 PolarHBondContact O-N 3.43Å
516	S	58.8	Low	78.5	Confident	35 Å²	35	54.9 Å²	54.9	25%	0.245	31%	0.311	C	S	.	.			trans	-115.2	145.6	166	79.7	0	0	0	0	110.7	E513 S514 S518	E513-S516 PolarHBondContact O-N 2.92Å; E513-S516 PolarHBondContact O-OG 2.85Å; S514-S516 VanDerWaalsContact C-N 3.26Å; S514-S516 PolarHBondContact O-N 3.21Å; S516-S518 VanDerWaalsContact C-N 3.32Å; S516-S518 WeakPolarHBondContact CB-OG 3.39Å; S516-S518 PolarHBondContact OG-O 3.44Å; S516-S518 PolarHBondContact OG-OG 3.31Å
517	S	53	Low	78.4	Confident	132 Å²	132	51.5 Å²	51.5	92%	0.923	30%	0.297	S	S	*	.	S	Bend	trans	-88.6	-0.6	171.2	51.2	0	0	0	0	113.1
518	S	61.5	Low	78.1	Confident	75 Å²	75	52.6 Å²	52.6	52%	0.524	30%	0.304	S	S	.	.	S	Bend	trans	-90.2	120.9	-179.2	47.8	0	0	0	0	111.7	S516 T520	S516-S518 VanDerWaalsContact C-N 3.32Å; S516-S518 WeakPolarHBondContact CB-OG 3.39Å; S516-S518 PolarHBondContact OG-O 3.44Å; S516-S518 PolarHBondContact OG-OG 3.31Å; S518-T520 PolarHBondContact O-N 2.85Å
519	T	65.7	Low	77.5	Confident	71 Å²	71	56.2 Å²	56.2	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	119	170.1	-48.7	0	0	0	0	110.1	Q510 V512 A521 D522	Q510-T519 HydrophobicContact CB-CG2 4.2Å; Q510-T519 HydrophobicContact CG-CG2 4.34Å; V512-T519 HydrophobicContact CG2-CG2 4.42Å; T519-A521 WeakPolarHBondContact CG2-O 3.46Å; T519-D522 HydrophobicContact CG2-CB 4.14Å
520	T	69	Low	76.4	Confident	62 Å²	62	57.2 Å²	57.2	38%	0.38	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-32.7	-178.6	-43.9	0	0	0	0	111.9	F447 V511 E513 S518	F447-T520 HydrophobicContact CD2-CG2 4.06Å; F447-T520 HydrophobicContact CE2-CG2 4.16Å; V511-T520 WeakPolarHBondContact O-CB 3.39Å; V511-T520 PolarHBondContact O-N 2.8Å; E513-T520 PolarHBondContact N-OG1 2.87Å; S518-T520 PolarHBondContact O-N 2.85Å
521	A	78.2	Confident	75.2	Confident	9 Å²	9	55.6 Å²	55.6	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	134.6	169.1	0	0	0	0	0	110.1	F447 Q510 V511 T519	F447-A521 HydrophobicContact CD1-CB 4.46Å; Q510-A521 WeakPolarHBondContact CA-O 3.21Å; V511-A521 HydrophobicContact CB-CB 4.27Å; V511-A521 HydrophobicContact CG2-CB 4.38Å; V511-A521 PolarHBondContact N-O 3.31Å; V511-A521 PolarHBondContact O-N 2.97Å; T519-A521 WeakPolarHBondContact CG2-O 3.46Å
522	D	85.6	Confident	73.5	Confident	77 Å²	77	60.8 Å²	60.8	41%	0.412	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.9	165.1	-167.2	-16.5	0	0	0	107.5	I509 Q510 T519	I509-D522 WeakPolarHBondContact O-CA 3.45Å; Q510-D522 HydrophobicContact CG-CB 4.14Å; Q510-D522 VanDerWaalsContact CG-CG 3.48Å; Q510-D522 WeakPolarHBondContact CG-OD2 3.33Å; Q510-D522 PolarHBondContact NE2-OD2 2.77Å; T519-D522 HydrophobicContact CG2-CB 4.14Å
523	F	87.8	Confident	71.6	Confident	21 Å²	21	64.5 Å²	64.5	9%	0.092	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.4	176.9	66.8	-82.3	0	0	0	111.5	V394 V396 H445 I509 V525	V394-F523 HydrophobicContact CB-CE1 4.32Å; V394-F523 HydrophobicContact CB-CZ 4.02Å; V394-F523 HydrophobicContact CG1-CE1 4.36Å; V394-F523 HydrophobicContact CG1-CZ 3.86Å; V396-F523 HydrophobicContact CG2-CE2 4.41Å; H445-F523 HydrophobicContact CB-CB 4.34Å; H445-F523 HydrophobicContact CB-CD1 3.58Å; H445-F523 HydrophobicContact CB-CD2 3.66Å; H445-F523 HydrophobicContact CB-CE1 3.63Å; H445-F523 HydrophobicContact CB-CE2 3.7Å; H445-F523 HydrophobicContact CB-CG 3.59Å; H445-F523 HydrophobicContact CB-CZ 3.69Å; H445-F523 AromaticContact CD2-CD1 3.85Å; H445-F523 AromaticContact CG-CD1 3.63Å; H445-F523 AromaticContact CG-CG 3.81Å; I509-F523 HydrophobicContact CB-CD1 4.27Å; I509-F523 HydrophobicContact CB-CE1 3.8Å; I509-F523 HydrophobicContact CB-CE2 4.12Å; I509-F523 HydrophobicContact CB-CZ 3.71Å; I509-F523 HydrophobicContact CD1-CE2 3.92Å; I509-F523 HydrophobicContact CD1-CZ 3.89Å; I509-F523 HydrophobicContact CG1-CZ 4.4Å; I509-F523 HydrophobicContact CG2-CD1 4.43Å; I509-F523 HydrophobicContact CG2-CE1 3.58Å; I509-F523 HydrophobicContact CG2-CZ 3.63Å; I509-F523 PolarHBondContact N-O 2.9Å; I509-F523 PolarHBondContact O-N 2.82Å; I509-F523 VanDerWaalsContact O-N 3.1Å; F523-V525 HydrophobicContact CD2-CG2 3.8Å; F523-V525 HydrophobicContact CE2-CG2 3.75Å
524	Q	87.6	Confident	69.7	Low	99 Å²	99	67.1 Å²	67.1	46%	0.463	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.7	-179.9	-53.9	-169.9	-71.7	0	0	110.4	L507 N508	L507-Q524 CarbonylContact O-C 3.51Å; L507-Q524 WeakPolarHBondContact O-CA 3.32Å; N508-Q524 PolarHBondContact OD1-NE2 3.24Å
525	V	88.1	Confident	68	Low	7 Å²	7	70.3 Å²	70.3	4%	0.042	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.1	174.3	179.6	0	0	0	0	109.2	V396 W442 L507 F523	V396-V525 HydrophobicContact CB-CG1 4.24Å; V396-V525 HydrophobicContact CB-CG2 4.49Å; V396-V525 HydrophobicContact CG1-CG1 4.39Å; V396-V525 HydrophobicContact CG2-CB 4.35Å; V396-V525 HydrophobicContact CG2-CG1 4.42Å; V396-V525 HydrophobicContact CG2-CG2 3.82Å; W442-V525 HydrophobicContact CB-CG1 3.55Å; L507-V525 PolarHBondContact N-O 3.44Å; L507-V525 PolarHBondContact O-N 2.94Å; F523-V525 HydrophobicContact CD2-CG2 3.8Å; F523-V525 HydrophobicContact CE2-CG2 3.75Å
526	S	87.1	Confident	67	Low	78 Å²	78	69 Å²	69	55%	0.545	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.1	175.7	-57.5	0	0	0	0	110.9
527	S	85.3	Confident	66.4	Low	10 Å²	10	72.3 Å²	72.3	7%	0.07	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-68.1	153.4	166.8	80.3	0	0	0	0	110.4	P504 F505	P504-S527 WeakPolarHBondContact CA-OG 3.37Å; F505-S527 PolarHBondContact N-OG 2.85Å; F505-S527 PolarHBondContact O-N 2.88Å; F505-S527 PolarHBondContact O-OG 3.06Å
528	P	84.1	Confident	65.3	Low	24 Å²	24	77.6 Å²	77.6	16%	0.156	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-62.6	166.6	166.5	28.6	-35.2	0	0	0	111	R400 I402 W442	R400-P528 WeakPolarHBondContact O-CB 3.22Å; I402-P528 HydrophobicContact CG2-CG 4.25Å; W442-P528 HydrophobicContact CZ2-CG 3.73Å
529	P	76.1	Confident	63.7	Low	79 Å²	79	82.7 Å²	82.7	51%	0.513	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-61.1	163.1	171.3	27.5	-36.1	0	0	0	112.2	F401 I402	F401-P529 WeakPolarHBondContact CA-O 3.42Å; I402-P529 PolarHBondContact N-O 3.38Å
530	A	68.2	Low	62.2	Low	21 Å²	21	85.1 Å²	85.1	17%	0.174	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-55.2	151.2	161.6	0	0	0	0	0	110	I402 M502	I402-A530 HydrophobicContact CD1-CB 4.42Å; I402-A530 HydrophobicContact CG1-CB 4.11Å; M502-A530 HydrophobicContact CB-CB 4.3Å
531	P	64.5	Low	60.7	Low	43 Å²	43	91.7 Å²	91.7	28%	0.279	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-56.6	135.5	168.4	27.2	-34.4	0	0	0	107	F401 I402 I533	F401-P531 HydrophobicContact CB-CB 3.98Å; F401-P531 HydrophobicContact CB-CG 4.41Å; F401-P531 HydrophobicContact CD1-CB 4.48Å; F401-P531 HydrophobicContact CD2-CB 4.42Å; F401-P531 HydrophobicContact CG-CB 4.08Å; I402-P531 WeakPolarHBondContact O-CD 3.28Å; P531-I533 WeakPolarHBondContact O-CG1 3.36Å; P531-I533 PolarHBondContact O-N 3.02Å
532	P	50.7	Low	58.6	Low	109 Å²	109	98.5 Å²	98.5	71%	0.708	51%	0.508	S	S	*	.			trans	-56	104.3	-170.3	20.3	-32.4	0	0	0	110.2	R534	P532-R534 PolarHBondContact O-N 2.91Å
533	I	47.8	Very low	56.2	Low	117 Å²	117	101.2 Å²	101.2	60%	0.6	53%	0.528	S	S	*	.			trans	-70.3	121.4	178.4	-56.9	179.5	0	0	0	105.2	P531 S535	P531-I533 WeakPolarHBondContact O-CG1 3.36Å; P531-I533 PolarHBondContact O-N 3.02Å; I533-S535 WeakPolarHBondContact O-CB 3.39Å; I533-S535 PolarHBondContact O-N 3.43Å
534	R	39.4	Very low	53.4	Low	96 Å²	96	109 Å²	109	36%	0.362	56%	0.564	S	S	.	*			trans	-66.7	84.7	168.2	-72.7	177.4	167.8	161.5	-14.3	107.9	P532 E536 Y708 E710	P532-R534 PolarHBondContact O-N 2.91Å; R534-E536 PolarHBondContact O-N 2.83Å; R534-E536 VanDerWaalsContact O-N 3.07Å; R534-Y708 HydrophobicContact CB-CD1 4.3Å; R534-Y708 HydrophobicContact CB-CD2 4.06Å; R534-Y708 HydrophobicContact CB-CE1 4.06Å; R534-Y708 HydrophobicContact CB-CE2 3.76Å; R534-Y708 HydrophobicContact CB-CG 4.28Å; R534-Y708 VanDerWaalsContact CD-CB 3.46Å; R534-Y708 PolarHBondContact NH1-O 3.46Å; R534-Y708 PolarHBondContact O-OH 2.95Å; R534-E710 WeakPolarHBondContact CD-OE1 3.49Å; R534-E710 VanDerWaalsContact CZ-CD 3.48Å; R534-E710 IonicContact CZ-OE1 2.67Å; R534-E710 IonicContact CZ-OE2 3.77Å; R534-E710 IonicContact NE-OE1 2.81Å; R534-E710 PolarHBondContact NE-OE1 3.15Å; R534-E710 IonicContact NE-OE2 2.67Å; R534-E710 PolarHBondContact NE-OE2 2.91Å; R534-E710 IonicContact NH2-OE1 3.18Å; R534-E710 IonicContact NH2-OE2 2.87Å; R534-E710 PolarHBondContact NH2-OE2 2.85Å
535	S	31.4	Very low	51.2	Low	103 Å²	103	112.2 Å²	112.2	72%	0.72	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	43.3	-160.8	57.9	0	0	0	0	113.7	I533	I533-S535 WeakPolarHBondContact O-CB 3.39Å; I533-S535 PolarHBondContact O-N 3.43Å
536	E	38.2	Very low	48.6	Very low	181 Å²	181	120.7 Å²	120.7	85%	0.846	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-8.7	172.2	-68.4	-166.7	136.9	0	0	113.4	R534	R534-E536 PolarHBondContact O-N 2.83Å; R534-E536 VanDerWaalsContact O-N 3.07Å
537	K	44.4	Very low	45.9	Very low	105 Å²	105	122.9 Å²	122.9	46%	0.457	63%	0.63	S	S	.	*	S	Bend	trans	-108.6	121.2	167	-65.7	-176.7	176.6	-165.1	0	109.6	Y708	K537-Y708 VanDerWaalsContact CB-OH 3.25Å; K537-Y708 WeakPolarHBondContact CB-OH 3.47Å; K537-Y708 HydrophobicContact CD-CE1 4.3Å; K537-Y708 HydrophobicContact CD-CE2 4.5Å; K537-Y708 HydrophobicContact CG-CE1 4.37Å; K537-Y708 VanDerWaalsContact CG-OH 3.28Å; K537-Y708 WeakPolarHBondContact CG-OH 3.45Å; K537-Y708 PolarHBondContact N-OH 3.43Å
538	R	31.4	Very low	43.2	Very low	243 Å²	243	129.6 Å²	129.6	92%	0.917	67%	0.665	S	S	*	*			trans	88.6	73.5	177.3	-50.9	169.6	-175.5	-178.7	1.4	116.5
539	Q	27.8	Very low	41	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	70%	0.702	S	S	*	*				-82.5	141.6	126.2	-89.5	-166.6	-10.9	0	0	108.9	K541	Q539-K541 PolarHBondContact O-N 2.92Å
540	P	33.1	Very low	39	Very low	123 Å²	123	137 Å²	137	80%	0.799	71%	0.707	S	S	*	*			trans	-81.1	104.3	168.8	31.6	-30.4	0	0	0	110.2	N542	P540-N542 PolarHBondContact O-N 3.42Å
541	K	37.8	Very low	37.2	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.865	73%	0.733	S	S	*	*			trans	-69.1	101.5	169.2	-93.4	-167.7	173.7	-175	0	110.6	Q539	Q539-K541 PolarHBondContact O-N 2.92Å
542	N	33.8	Very low	35.4	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	76%	0.761	S	S	*	*			trans	-164	142	150.1	-101.1	-33.1	0	0	0	109.6	P540	P540-N542 PolarHBondContact O-N 3.42Å
543	V	35	Very low	34.4	Very low	135 Å²	135	149.7 Å²	149.7	82%	0.818	77%	0.765	S	S	*	*	S	Bend	trans	59.5	80.2	-174.9	-164.4	0	0	0	0	111.2
544	E	28.8	Very low	33.4	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	77%	0.773	S	S	*	*				-148.6	130.6	64.5	-81.9	174	148	0	0	113.1
545	I	41.6	Very low	32.9	Very low	166 Å²	166	152 Å²	152	85%	0.851	79%	0.793	S	S	*	*			trans	-110.5	96.1	164.7	-61.5	176	0	0	0	107.7
546	K	33.6	Very low	33	Very low	185 Å²	185	152.3 Å²	152.3	80%	0.804	79%	0.793	S	S	*	*			trans	-173.3	149.5	158.2	-100.5	145.2	-173.3	-179.6	0	108.1
547	T	31.6	Very low	32.9	Very low	125 Å²	125	151.2 Å²	151.2	77%	0.767	79%	0.788	S	S	*	*	S	Bend	trans	43.2	94.6	169.3	49.1	0	0	0	0	114.9
548	D	27.3	Very low	32.4	Very low	150 Å²	150	154.3 Å²	154.3	80%	0.802	80%	0.804	S	S	*	*				-153.8	146.1	54.3	-79.4	-29.2	0	0	0	115.2
549	I	38.4	Very low	32.6	Very low	182 Å²	182	147.8 Å²	147.8	93%	0.933	80%	0.795	S	S	*	*			trans	-110.5	86.9	170.1	-58.7	174.8	0	0	0	107.3
550	A	33.7	Very low	33.1	Very low	77 Å²	77	144.2 Å²	144.2	64%	0.636	78%	0.782	S	S	*	*			trans	-153.1	149.8	171.4	0	0	0	0	0	111.2
551	T	30.1	Very low	33.5	Very low	114 Å²	114	142.3 Å²	142.3	70%	0.699	77%	0.771	S	S	*	*			trans	50.5	67.6	167.2	53.8	0	0	0	0	116.8	F553	T551-F553 HydrophobicContact CG2-CE2 4.2Å; T551-F553 PolarHBondContact O-N 2.86Å; T551-F553 VanDerWaalsContact O-N 3.14Å
552	T	27	Very low	34	Very low	143 Å²	143	140.4 Å²	140.4	88%	0.877	77%	0.771	S	S	*	*			trans	-64.9	104.1	152.3	44.5	0	0	0	0	109.8
553	F	30.1	Very low	35	Very low	182 Å²	182	136.7 Å²	136.7	80%	0.798	75%	0.751	S	S	*	*			trans	-86.7	103	161.9	-76.2	-79.7	0	0	0	109.2	T551 I555	T551-F553 HydrophobicContact CG2-CE2 4.2Å; T551-F553 PolarHBondContact O-N 2.86Å; T551-F553 VanDerWaalsContact O-N 3.14Å; F553-I555 PolarHBondContact O-N 3.44Å
554	S	26.7	Very low	36.3	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	73%	0.733	S	S	*	*			trans	-66.7	111.6	165.6	50.4	0	0	0	0	108.9
555	I	29.2	Very low	38.2	Very low	155 Å²	155	131 Å²	131	80%	0.795	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-57.8	126.1	161	-58.6	174.7	0	0	0	105.9	F553 E557	F553-I555 PolarHBondContact O-N 3.44Å; I555-E557 PolarHBondContact O-N 3.47Å
556	P	33.5	Very low	40	Very low	109 Å²	109	125.5 Å²	125.5	71%	0.708	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-60.7	138	176.4	26.2	-33.7	0	0	0	108.9	E558	P556-E558 PolarHBondContact O-N 3.05Å
557	E	35.7	Very low	42.1	Very low	158 Å²	158	124 Å²	124	74%	0.738	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-58.1	135.4	166.2	-70.8	-164.6	85.3	0	0	108.8	I555 S559 R688	I555-E557 PolarHBondContact O-N 3.47Å; E557-S559 PolarHBondContact O-N 2.72Å; E557-S559 VanDerWaalsContact O-N 3.08Å; E557-R688 IonicContact OE1-NH1 3.94Å
558	E	33.8	Very low	44.5	Very low	170 Å²	170	122.5 Å²	122.5	79%	0.794	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-54.4	119.2	171.3	-67.7	175.8	124	0	0	108	P556 D560	P556-E558 PolarHBondContact O-N 3.05Å; E558-D560 PolarHBondContact O-N 3.04Å
559	S	35	Very low	47.1	Very low	106 Å²	106	117.7 Å²	117.7	74%	0.741	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-52.3	132.1	-172.1	49.7	0	0	0	0	111.3	E557 S561	E557-S559 PolarHBondContact O-N 2.72Å; E557-S559 VanDerWaalsContact O-N 3.08Å; S559-S561 PolarHBondContact O-N 2.71Å
560	D	39.9	Very low	49.1	Very low	106 Å²	106	112.4 Å²	112.4	57%	0.567	62%	0.623	S	S	*	*			trans	-45.3	109	166.3	-118.7	31.9	0	0	0	108	E558 K565	E558-D560 PolarHBondContact O-N 3.04Å; D560-K565 IonicContact OD2-NZ 3.81Å; D560-K565 PolarHBondContact OD2-NZ 3.43Å
561	S	40.1	Very low	51.2	Low	82 Å²	82	109.7 Å²	109.7	57%	0.573	60%	0.598	S	S	*	*			trans	-75	132	169.5	20.1	0	0	0	0	106.6	S559 L563	S559-S561 PolarHBondContact O-N 2.71Å; S561-L563 PolarHBondContact O-N 3.46Å
562	D	49.2	Very low	53.2	Low	159 Å²	159	110.7 Å²	110.7	85%	0.85	60%	0.604	S	S	*	*			trans	-68.7	66.7	-175.2	-75.7	-57.3	0	0	0	112.7
563	L	55.7	Low	55.4	Low	75 Å²	75	104.8 Å²	104.8	39%	0.393	57%	0.567	S	S	.	*			trans	-65.4	132.8	164.4	-68.6	173.8	0	0	0	108.1	S561 K565	S561-L563 PolarHBondContact O-N 3.46Å; L563-K565 PolarHBondContact O-N 3.32Å
564	P	62.1	Low	57.6	Low	68 Å²	68	102.3 Å²	102.3	44%	0.442	56%	0.558	S	S	.	*			trans	-66.3	102.6	-176.2	27.1	-34.9	0	0	0	110.1	F566 N748 F869	P564-F566 PolarHBondContact O-N 3Å; P564-N748 HydrophobicContact CG-CB 4.25Å; P564-F869 HydrophobicContact CB-CD1 3.91Å; P564-F869 HydrophobicContact CB-CE1 4.45Å; P564-F869 HydrophobicContact CG-CD1 4.27Å; P564-F869 VanDerWaalsContact O-CE1 3.31Å; P564-F869 WeakPolarHBondContact O-CE1 3.42Å
565	K	68.2	Low	60.3	Low	130 Å²	130	101.5 Å²	101.5	57%	0.565	54%	0.539	S	S	*	.			trans	-71.8	117	-178.7	-72	164.2	-176.3	169.4	0	109.1	D560 L563 K567	D560-K565 IonicContact OD2-NZ 3.81Å; D560-K565 PolarHBondContact OD2-NZ 3.43Å; L563-K565 PolarHBondContact O-N 3.32Å; K565-K567 PolarHBondContact O-N 3.06Å
566	F	79.4	Confident	63	Low	52 Å²	52	95.8 Å²	95.8	23%	0.228	51%	0.507	C	S	.	.			trans	-47.6	131.3	179.9	172.7	-92.8	0	0	0	112.7	P564 L659 K746 F864 A868 F869	P564-F566 PolarHBondContact O-N 3Å; F566-L659 HydrophobicContact CE2-CD2 4.43Å; F566-L659 HydrophobicContact CZ-CD2 4.3Å; F566-K746 HydrophobicContact CB-CB 4.3Å; F566-K746 HydrophobicContact CB-CG 4.29Å; F566-K746 HydrophobicContact CG-CG 4.29Å; F566-F864 HydrophobicContact CD2-CZ 4.01Å; F566-F864 AromaticContact CE2-CE2 3.77Å; F566-F864 HydrophobicContact CE2-CE2 3.77Å; F566-F864 AromaticContact CE2-CZ 3.63Å; F566-F864 HydrophobicContact CE2-CZ 3.63Å; F566-A868 HydrophobicContact CD2-CB 3.93Å; F566-A868 HydrophobicContact CE2-CB 3.85Å; F566-F869 HydrophobicContact CB-CE1 4.16Å; F566-F869 HydrophobicContact CB-CZ 4.23Å; F566-F869 HydrophobicContact CD2-CZ 4.2Å
567	K	76.6	Confident	65.6	Low	153 Å²	153	90.6 Å²	90.6	67%	0.665	47%	0.474	S	S	*	.			trans	-118.7	140.6	174.3	-65.4	172.9	-173.4	170.8	0	109.5	K565 T569 T655	K565-K567 PolarHBondContact O-N 3.06Å; K567-T569 PolarHBondContact O-N 2.97Å; K567-T655 PolarHBondContact O-OG1 3.03Å; K567-T655 VanDerWaalsContact O-OG1 3.05Å
568	D	82.2	Confident	68.2	Low	93 Å²	93	85 Å²	85	50%	0.497	45%	0.45	S	S	.	.			trans	-79.3	116.6	170.1	-164.4	25.4	0	0	0	109.2	T654 T655 A656	D568-T654 WeakPolarHBondContact OD1-CB 3.42Å; D568-T654 PolarHBondContact OD1-OG1 3.3Å; D568-T654 PolarHBondContact OD2-OG1 2.87Å; D568-T654 VanDerWaalsContact OD2-OG1 3.12Å; D568-T655 WeakPolarHBondContact CA-OG1 3.48Å; D568-T655 PolarHBondContact OD1-N 2.78Å; D568-T655 PolarHBondContact OD1-OG1 3.45Å; D568-A656 HydrophobicContact CB-CB 4.33Å; D568-A656 VanDerWaalsContact CG-CB 3.44Å; D568-A656 WeakPolarHBondContact OD1-CB 3.41Å; D568-A656 PolarHBondContact OD1-N 3.02Å
569	T	82.2	Confident	70.8	Confident	49 Å²	49	77 Å²	77	30%	0.301	41%	0.413	S	S	.	.			trans	-129.9	137	-170.3	-52	0	0	0	0	108.6	K567 L571 T654 T655	K567-T569 PolarHBondContact O-N 2.97Å; T569-L571 PolarHBondContact O-N 3.48Å; T569-T654 CarbonylContact O-C 3.54Å; T569-T654 WeakPolarHBondContact O-CA 3.44Å; T569-T655 PolarHBondContact N-OG1 3.47Å; T569-T655 PolarHBondContact O-N 3.27Å
570	P	80.4	Confident	73.4	Confident	72 Å²	72	76 Å²	76	47%	0.468	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-66.1	132.6	172	28.1	-34.2	0	0	0	110.6	T572	P570-T572 PolarHBondContact O-N 3.1Å
571	L	77.6	Confident	75.7	Confident	19 Å²	19	77.2 Å²	77.2	10%	0.099	40%	0.399	C	S	.	.			trans	-71.7	123.9	177.1	-60	-179.3	0	0	0	110.5	T569 L573 L604 V653 T655 L658 A867	T569-L571 PolarHBondContact O-N 3.48Å; L571-L573 VanDerWaalsContact C-N 3.29Å; L571-L573 HydrophobicContact CB-CD2 3.84Å; L571-L573 HydrophobicContact CB-CG 3.97Å; L571-L573 HydrophobicContact CD1-CD2 4.21Å; L571-L573 PolarHBondContact O-N 3.4Å; L571-L604 HydrophobicContact CD1-CD2 4.19Å; L571-V653 WeakPolarHBondContact CB-O 3.42Å; L571-V653 HydrophobicContact CD1-CB 4.06Å; L571-V653 HydrophobicContact CD1-CG1 3.64Å; L571-V653 HydrophobicContact CG-CG1 4.43Å; L571-V653 VanDerWaalsContact CG-O 3.28Å; L571-V653 WeakPolarHBondContact CG-O 3.43Å; L571-V653 PolarHBondContact N-O 2.81Å; L571-T655 HydrophobicContact CD2-CG2 3.77Å; L571-L658 HydrophobicContact CD1-CB 4.4Å; L571-L658 HydrophobicContact CD1-CD2 3.88Å; L571-L658 HydrophobicContact CD2-CD2 4.17Å; L571-A867 HydrophobicContact CD2-CB 3.35Å
572	T	72.3	Confident	78	Confident	135 Å²	135	76.9 Å²	76.9	83%	0.828	39%	0.393	S	S	*	.			trans	-76.7	78.4	172.4	-51.6	0	0	0	0	110.4	P570 Q574	P570-T572 PolarHBondContact O-N 3.1Å; T572-Q574 PolarHBondContact O-N 2.93Å
573	L	74.6	Confident	79.8	Confident	19 Å²	19	70.7 Å²	70.7	10%	0.099	36%	0.362	C	S	.	.			trans	-75.6	120.1	-176.7	-61	-178.5	0	0	0	111.7	L571 Y576 A602 L604 V653	L571-L573 VanDerWaalsContact C-N 3.29Å; L571-L573 HydrophobicContact CB-CD2 3.84Å; L571-L573 HydrophobicContact CB-CG 3.97Å; L571-L573 HydrophobicContact CD1-CD2 4.21Å; L571-L573 PolarHBondContact O-N 3.4Å; L573-Y576 HydrophobicContact CB-CE2 4.42Å; L573-Y576 VanDerWaalsContact O-CE2 3.31Å; L573-Y576 WeakPolarHBondContact O-CE2 3.36Å; L573-A602 HydrophobicContact CD1-CB 3.67Å; L573-L604 HydrophobicContact CD1-CD2 4.2Å; L573-L604 HydrophobicContact CD2-CD2 3.87Å; L573-V653 HydrophobicContact CD1-CB 4.35Å; L573-V653 HydrophobicContact CD1-CG2 4.04Å
574	Q	75	Confident	81.2	Confident	131 Å²	131	72.1 Å²	72.1	61%	0.612	37%	0.369	S	S	*	.			trans	-82.8	-14.1	179.4	-61.8	173.8	5.3	0	0	113.2	T572	T572-Q574 PolarHBondContact O-N 2.93Å
575	W	83.7	Confident	82	Confident	91 Å²	91	70.9 Å²	70.9	35%	0.345	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.3	-165.4	-51.2	107.5	0	0	0	111.8	L603	W575-L603 HydrophobicContact CB-CB 4.04Å; W575-L603 PolarHBondContact O-N 3.42Å
576	Y	86.9	Confident	81.9	Confident	35 Å²	35	74.2 Å²	74.2	14%	0.137	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.4	175.5	-67.4	-95.1	0	0	0	110	L573 T600 A602 L639 I640 V642 V645 F648	L573-Y576 HydrophobicContact CB-CE2 4.42Å; L573-Y576 VanDerWaalsContact O-CE2 3.31Å; L573-Y576 WeakPolarHBondContact O-CE2 3.36Å; Y576-T600 HydrophobicContact CD1-CG2 4Å; Y576-A602 HydrophobicContact CD1-CB 4.31Å; Y576-A602 HydrophobicContact CE1-CB 4.11Å; Y576-L639 WeakPolarHBondContact O-CA 3.35Å; Y576-I640 PolarHBondContact O-N 2.81Å; Y576-V642 HydrophobicContact CD2-CG2 4.16Å; Y576-V642 HydrophobicContact CE2-CG1 4.24Å; Y576-V642 HydrophobicContact CE2-CG2 4.19Å; Y576-V645 HydrophobicContact CD1-CG1 4.48Å; Y576-V645 HydrophobicContact CD1-CG2 3.97Å; Y576-V645 HydrophobicContact CD2-CG2 3.77Å; Y576-V645 HydrophobicContact CE1-CG2 4.47Å; Y576-V645 HydrophobicContact CE2-CG2 4.3Å; Y576-V645 HydrophobicContact CG-CG2 3.58Å; Y576-F648 HydrophobicContact CD1-CE2 4.42Å; Y576-F648 HydrophobicContact CE1-CD1 4.19Å; Y576-F648 HydrophobicContact CE1-CD2 4.32Å; Y576-F648 HydrophobicContact CE1-CE1 4.2Å; Y576-F648 HydrophobicContact CE1-CE2 4.34Å; Y576-F648 HydrophobicContact CE1-CG 4.25Å; Y576-F648 HydrophobicContact CE1-CZ 4.29Å
577	G	87.4	Confident	81.6	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	142.5	174.8	0	0	0	0	0	113.9	V601 K638	G577-V601 PolarHBondContact N-O 2.82Å; G577-V601 PolarHBondContact O-N 2.88Å; G577-K638 CarbonylContact C-O 3.56Å; G577-K638 WeakPolarHBondContact CA-O 3.44Å
578	V	89.4	Confident	81.5	Confident	39 Å²	39	78.4 Å²	78.4	24%	0.236	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.3	-179.1	-179.1	0	0	0	0	110.4	L580 E599 V637 K638 I640	V578-L580 PolarHBondContact O-N 2.74Å; V578-E599 WeakPolarHBondContact CA-O 3.43Å; V578-V637 WeakPolarHBondContact O-CA 3.43Å; V578-K638 PolarHBondContact N-O 2.65Å; V578-K638 PolarHBondContact O-N 2.75Å; V578-I640 HydrophobicContact CG2-CD1 3.92Å; V578-I640 HydrophobicContact CG2-CG1 4.39Å; V578-I640 HydrophobicContact CG2-CG2 3.94Å
579	A	89.5	Confident	81.5	Confident	2 Å²	2	76 Å²	76	2%	0.017	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	117.5	177.2	0	0	0	0	0	112	Y595 F596 K597 G598 E599 N636	A579-Y595 HydrophobicContact CB-CD2 3.68Å; A579-Y595 HydrophobicContact CB-CE2 4.33Å; A579-Y595 HydrophobicContact CB-CG 4.34Å; A579-F596 VanDerWaalsContact CB-O 3.25Å; A579-F596 WeakPolarHBondContact CB-O 3.49Å; A579-K597 CarbonylContact O-C 3.55Å; A579-K597 WeakPolarHBondContact O-CA 3.29Å; A579-G598 PolarHBondContact O-N 2.95Å; A579-E599 WeakPolarHBondContact CB-O 3.37Å; A579-E599 PolarHBondContact N-O 3.46Å; A579-N636 CarbonylContact C-O 3.58Å; A579-N636 WeakPolarHBondContact CA-O 3.46Å
580	L	88.8	Confident	81.6	Confident	86 Å²	86	77.8 Å²	77.8	45%	0.45	39%	0.391	S	S	.	.	S	Bend	trans	-80.4	-15.4	-179.3	-62.3	177.3	0	0	0	113.7	V578 N636 K638	V578-L580 PolarHBondContact O-N 2.74Å; L580-N636 PolarHBondContact N-O 2.86Å; L580-K638 HydrophobicContact CD1-CB 4.27Å; L580-K638 HydrophobicContact CD2-CB 3.94Å; L580-K638 HydrophobicContact CG-CB 4.24Å
581	K	89.3	Confident	81.9	Confident	132 Å²	132	76 Å²	76	57%	0.574	38%	0.376	S	S	*	.	S	Bend	trans	-146.8	143.5	-176.5	-62.2	-169.8	178.5	-167.1	0	110.6	Y595	K581-Y595 VanDerWaalsContact O-CD2 3.25Å; K581-Y595 WeakPolarHBondContact O-CD2 3.4Å; K581-Y595 WeakPolarHBondContact O-CE2 3.38Å
582	T	87.6	Confident	82.5	Confident	74 Å²	74	76.3 Å²	76.3	45%	0.454	38%	0.377	S	S	.	.			trans	-70.2	135.3	167.3	-59.2	0	0	0	0	110.3	L584 Y595 F596 K597	T582-L584 HydrophobicContact CG2-CG 4.15Å; T582-Y595 CarbonylContact C-O 3.47Å; T582-Y595 WeakPolarHBondContact CA-O 3.26Å; T582-F596 HydrophobicContact CG2-CD1 3.65Å; T582-F596 HydrophobicContact CG2-CE1 4.27Å; T582-K597 PolarHBondContact OG1-N 2.68Å
583	V	87.3	Confident	83.3	Confident	30 Å²	30	70.5 Å²	70.5	18%	0.182	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-139	104.7	174.4	-178.7	0	0	0	0	109.2	E594 Y595	V583-E594 VanDerWaalsContact O-CA 3.26Å; V583-E594 WeakPolarHBondContact O-CA 3.39Å; V583-Y595 HydrophobicContact CB-CD2 4.32Å; V583-Y595 HydrophobicContact CB-CE1 4.27Å; V583-Y595 HydrophobicContact CB-CE2 3.86Å; V583-Y595 HydrophobicContact CG2-CD2 4.41Å; V583-Y595 HydrophobicContact CG2-CE2 3.58Å; V583-Y595 PolarHBondContact N-O 2.55Å; V583-Y595 PolarHBondContact O-N 3.36Å; V583-Y595 VanDerWaalsContact O-N 3.08Å
584	L	84.3	Confident	84	Confident	104 Å²	104	71.3 Å²	71.3	55%	0.545	34%	0.344	S	S	.	.			trans	-112.9	152.5	169.2	-55.8	177	0	0	0	108.8	T582 E594 F596	T582-L584 HydrophobicContact CG2-CG 4.15Å; L584-E594 HydrophobicContact CD2-CB 4.3Å; L584-F596 HydrophobicContact CD1-CE1 4Å; L584-F596 HydrophobicContact CD2-CE1 4.11Å; L584-F596 HydrophobicContact CD2-CZ 4.21Å; L584-F596 HydrophobicContact CG-CE1 4.41Å
585	R	78.6	Confident	84.7	Confident	43 Å²	43	65.1 Å²	65.1	16%	0.162	32%	0.315	C	S	.	.			trans	-132.4	130.3	-179.4	-60	179.5	-164.6	76.8	-5.1	111.2	P587 R588 V589 L593 E594	R585-P587 CarbonylContact C-O 3.54Å; R585-P587 VanDerWaalsContact C-O 3.32Å; R585-P587 CarbonylContact O-C 3.46Å; R585-P587 VanDerWaalsContact O-C 3.25Å; R585-R588 PolarHBondContact O-N 3.43Å; R585-V589 HydrophobicContact CB-CG2 4.39Å; R585-L593 PolarHBondContact NH1-O 2.79Å; R585-L593 PolarHBondContact NH2-O 3.37Å; R585-L593 VanDerWaalsContact NH2-O 3.09Å; R585-E594 PolarHBondContact N-OE1 2.9Å
586	Q	67.3	Low	84.9	Confident	200 Å²	200	65 Å²	65	94%	0.935	32%	0.318	S	S	*	.	S	Bend	trans	-122	117.3	170.9	-67.4	-177.1	-5	0	0	108.3
587	P	72	Confident	85	Confident	114 Å²	114	70.9 Å²	70.9	74%	0.74	34%	0.344	S	S	*	.	S	Bend	cis	-64.1	161.2	-9.3	31	-36.8	0	0	0	112.6	R585	R585-P587 CarbonylContact C-O 3.54Å; R585-P587 VanDerWaalsContact C-O 3.32Å; R585-P587 CarbonylContact O-C 3.46Å; R585-P587 VanDerWaalsContact O-C 3.25Å
588	R	75.2	Confident	84.8	Confident	179 Å²	179	73.2 Å²	73.2	68%	0.675	37%	0.368	S	S	*	.			trans	-60.9	136	171.5	-76.9	-177.2	159.8	144.8	0.4	110.2	R585 E594	R585-R588 PolarHBondContact O-N 3.43Å; R588-E594 WeakPolarHBondContact CG-OE2 3.19Å; R588-E594 IonicContact CZ-OE2 3.49Å; R588-E594 IonicContact NE-OE2 3.36Å; R588-E594 PolarHBondContact NE-OE2 2.8Å; R588-E594 IonicContact NH2-OE2 3.41Å
589	V	82.1	Confident	84.7	Confident	43 Å²	43	73.6 Å²	73.6	26%	0.261	37%	0.367	S	S	.	.			trans	-106.5	121.1	-179.2	-175.2	0	0	0	0	109.5	R585 L592 R849	R585-V589 HydrophobicContact CB-CG2 4.39Å; V589-L592 HydrophobicContact CB-CB 4.48Å; V589-L592 HydrophobicContact CB-CD1 4.21Å; V589-L592 HydrophobicContact CB-CG 4.48Å; V589-L592 HydrophobicContact CG1-CD1 3.79Å; V589-L592 HydrophobicContact CG1-CG 4.03Å; V589-L592 PolarHBondContact O-N 3.04Å; V589-R849 HydrophobicContact CG1-CG 4.46Å
590	E	84.3	Confident	84.5	Confident	86 Å²	86	74.7 Å²	74.7	40%	0.402	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	143.3	175.4	-64.4	178.4	159.8	0	0	111.5	L592 K668 R849 H850	E590-L592 PolarHBondContact O-N 2.92Å; E590-L592 VanDerWaalsContact O-N 3.11Å; E590-K668 IonicContact OE1-NZ 2.67Å; E590-K668 PolarHBondContact OE1-NZ 2.9Å; E590-K668 IonicContact OE2-NZ 2.68Å; E590-R849 HydrophobicContact CB-CB 4.18Å; E590-H850 IonicContact OE1-CE1 3.03Å; E590-H850 IonicContact OE2-CE1 2.85Å; E590-H850 PolarHBondContact OE2-CE1 2.93Å; E590-H850 IonicContact OE2-ND1 3.15Å; E590-H850 IonicContact OE2-NE2 3.51Å; E590-H850 PolarHBondContact OE2-NE2 3.18Å
591	Y	87.8	Confident	84.5	Confident	34 Å²	34	70.6 Å²	70.6	13%	0.133	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	5.5	178.4	-45	-76.5	0	0	0	117.1	G630 L631 P665 R849 H850 G853 I856	Y591-G630 WeakPolarHBondContact O-CA 3.36Å; Y591-L631 PolarHBondContact O-N 3.25Å; Y591-P665 HydrophobicContact CE1-CG 4.11Å; Y591-P665 WeakPolarHBondContact OH-CA 3.46Å; Y591-R849 HydrophobicContact CD2-CB 4.09Å; Y591-R849 WeakPolarHBondContact CD2-O 3.37Å; Y591-R849 HydrophobicContact CE2-CB 4.35Å; Y591-H850 AromaticContact CE2-ND1 3.68Å; Y591-H850 AromaticContact CZ-ND1 3.87Å; Y591-H850 PolarHBondContact OH-ND1 3.23Å; Y591-H850 VanDerWaalsContact OH-ND1 3.13Å; Y591-G853 VanDerWaalsContact CD1-CA 3.4Å; Y591-G853 VanDerWaalsContact CE1-CA 3.48Å; Y591-I856 HydrophobicContact CD1-CD1 4.27Å; Y591-I856 HydrophobicContact CG-CD1 4.43Å
592	L	88.9	Confident	84.4	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.136	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-110.2	118.7	168	-58.5	-173.8	0	0	0	109.8	V589 E590 W620 L631	V589-L592 HydrophobicContact CB-CB 4.48Å; V589-L592 HydrophobicContact CB-CD1 4.21Å; V589-L592 HydrophobicContact CB-CG 4.48Å; V589-L592 HydrophobicContact CG1-CD1 3.79Å; V589-L592 HydrophobicContact CG1-CG 4.03Å; V589-L592 PolarHBondContact O-N 3.04Å; E590-L592 PolarHBondContact O-N 2.92Å; E590-L592 VanDerWaalsContact O-N 3.11Å; L592-W620 HydrophobicContact CD2-CZ3 4.43Å; L592-L631 HydrophobicContact CD2-CB 3.92Å; L592-L631 HydrophobicContact CD2-CD1 4.36Å
593	L	88.8	Confident	84.4	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.063	30%	0.304	C	S	.	.			trans	-70.8	146.5	-177.9	-63.9	-178.5	0	0	0	112.3	R585 Y595 G623 L625 R628 L631 V632	R585-L593 PolarHBondContact NH1-O 2.79Å; R585-L593 PolarHBondContact NH2-O 3.37Å; R585-L593 VanDerWaalsContact NH2-O 3.09Å; L593-Y595 HydrophobicContact CB-CD1 4.38Å; L593-Y595 WeakPolarHBondContact O-CE1 3.34Å; L593-G623 WeakPolarHBondContact CD1-O 3.32Å; L593-L625 HydrophobicContact CD1-CB 3.99Å; L593-R628 HydrophobicContact CD2-CB 3.93Å; L593-L631 PolarHBondContact N-O 3.44Å; L593-V632 HydrophobicContact CB-CG2 4.12Å; L593-V632 HydrophobicContact CD1-CG2 3.74Å; L593-V632 HydrophobicContact CG-CG2 4.27Å
594	E	89.9	Confident	84.3	Confident	36 Å²	36	60 Å²	60	17%	0.168	30%	0.298	C	S	.	.			trans	-106.6	134	173.2	-48.2	-166.6	107.4	0	0	108.3	V583 L584 R585 R588 L625	V583-E594 VanDerWaalsContact O-CA 3.26Å; V583-E594 WeakPolarHBondContact O-CA 3.39Å; L584-E594 HydrophobicContact CD2-CB 4.3Å; R585-E594 PolarHBondContact N-OE1 2.9Å; R588-E594 WeakPolarHBondContact CG-OE2 3.19Å; R588-E594 IonicContact CZ-OE2 3.49Å; R588-E594 IonicContact NE-OE2 3.36Å; R588-E594 PolarHBondContact NE-OE2 2.8Å; R588-E594 IonicContact NH2-OE2 3.41Å; E594-L625 WeakPolarHBondContact O-CD2 3.24Å
595	Y	89.2	Confident	84.3	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-153.8	152.7	-171.3	45.7	-93.5	0	0	0	111.5	A579 K581 T582 V583 L593 E599 V632 N636	A579-Y595 HydrophobicContact CB-CD2 3.68Å; A579-Y595 HydrophobicContact CB-CE2 4.33Å; A579-Y595 HydrophobicContact CB-CG 4.34Å; K581-Y595 VanDerWaalsContact O-CD2 3.25Å; K581-Y595 WeakPolarHBondContact O-CD2 3.4Å; K581-Y595 WeakPolarHBondContact O-CE2 3.38Å; T582-Y595 CarbonylContact C-O 3.47Å; T582-Y595 WeakPolarHBondContact CA-O 3.26Å; V583-Y595 HydrophobicContact CB-CD2 4.32Å; V583-Y595 HydrophobicContact CB-CE1 4.27Å; V583-Y595 HydrophobicContact CB-CE2 3.86Å; V583-Y595 HydrophobicContact CG2-CD2 4.41Å; V583-Y595 HydrophobicContact CG2-CE2 3.58Å; V583-Y595 PolarHBondContact N-O 2.55Å; V583-Y595 PolarHBondContact O-N 3.36Å; V583-Y595 VanDerWaalsContact O-N 3.08Å; L593-Y595 HydrophobicContact CB-CD1 4.38Å; L593-Y595 WeakPolarHBondContact O-CE1 3.34Å; Y595-E599 VanDerWaalsContact CA-OE2 3.3Å; Y595-E599 WeakPolarHBondContact CA-OE2 3.46Å; Y595-V632 HydrophobicContact CD1-CG1 4.33Å; Y595-V632 HydrophobicContact CE1-CG1 3.72Å; Y595-N636 HydrophobicContact CE2-CB 4.2Å; Y595-N636 WeakPolarHBondContact OH-CB 3.29Å; Y595-N636 PolarHBondContact OH-ND2 3.11Å
596	F	89.1	Confident	84.5	Confident	90 Å²	90	61.7 Å²	61.7	40%	0.395	30%	0.3	S	S	.	.			trans	-95.8	153.1	173	-61.2	-74.6	0	0	0	111.3	A579 T582 L584 G598 E599 R626	A579-F596 VanDerWaalsContact CB-O 3.25Å; A579-F596 WeakPolarHBondContact CB-O 3.49Å; T582-F596 HydrophobicContact CG2-CD1 3.65Å; T582-F596 HydrophobicContact CG2-CE1 4.27Å; L584-F596 HydrophobicContact CD1-CE1 4Å; L584-F596 HydrophobicContact CD2-CE1 4.11Å; L584-F596 HydrophobicContact CD2-CZ 4.21Å; L584-F596 HydrophobicContact CG-CE1 4.41Å; F596-G598 PolarHBondContact O-N 2.9Å; F596-E599 HydrophobicContact CB-CG 4.09Å; F596-E599 PolarHBondContact N-OE2 3.49Å; F596-E599 PolarHBondContact O-N 3.46Å; F596-R626 VanDerWaalsContact CD2-NH2 3.33Å
597	K	88.7	Confident	85.3	Confident	157 Å²	157	57.3 Å²	57.3	68%	0.683	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	125.5	170.7	179.4	-174.8	175	-163.3	0	109.5	A579 T582	A579-K597 CarbonylContact O-C 3.55Å; A579-K597 WeakPolarHBondContact O-CA 3.29Å; T582-K597 PolarHBondContact OG1-N 2.68Å
598	G	82.9	Confident	86	Confident	50 Å²	50	54.7 Å²	54.7	52%	0.515	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-13.9	-178.2	0	0	0	0	0	114.6	A579 F596	A579-G598 PolarHBondContact O-N 2.95Å; F596-G598 PolarHBondContact O-N 2.9Å
599	E	87.2	Confident	86.6	Confident	46 Å²	46	46.3 Å²	46.3	22%	0.215	23%	0.229	C	C	.	.			trans	-69.3	136	176.7	-71.9	-170.9	122.9	0	0	112.1	V578 A579 Y595 F596 R626	V578-E599 WeakPolarHBondContact CA-O 3.43Å; A579-E599 WeakPolarHBondContact CB-O 3.37Å; A579-E599 PolarHBondContact N-O 3.46Å; Y595-E599 VanDerWaalsContact CA-OE2 3.3Å; Y595-E599 WeakPolarHBondContact CA-OE2 3.46Å; F596-E599 HydrophobicContact CB-CG 4.09Å; F596-E599 PolarHBondContact N-OE2 3.49Å; F596-E599 PolarHBondContact O-N 3.46Å; E599-R626 VanDerWaalsContact CD-NH2 3.28Å; E599-R626 IonicContact OE1-CZ 3.88Å; E599-R626 IonicContact OE1-NE 2.68Å; E599-R626 IonicContact OE1-NH2 3.51Å; E599-R626 PolarHBondContact OE1-NH2 2.77Å; E599-R626 IonicContact OE2-NH2 2.69Å; E599-R626 PolarHBondContact OE2-NH2 2.93Å; E599-R626 VanDerWaalsContact OE2-NH2 3.14Å
600	T	85.9	Confident	86.8	Confident	26 Å²	26	49.4 Å²	49.4	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.1	167.6	-53.8	0	0	0	0	109.5	Y576 I640 V645 F648	Y576-T600 HydrophobicContact CD1-CG2 4Å; T600-I640 HydrophobicContact CG2-CD1 4.39Å; T600-V645 HydrophobicContact CG2-CG1 4.4Å; T600-F648 HydrophobicContact CG2-CD2 3.75Å; T600-F648 HydrophobicContact CG2-CE2 3.74Å
601	V	87.5	Confident	86.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.6	172.9	-174.9	0	0	0	0	108.2	G577 L603 L625 V632	G577-V601 PolarHBondContact N-O 2.82Å; G577-V601 PolarHBondContact O-N 2.88Å; V601-L603 HydrophobicContact CG1-CD2 4.01Å; V601-L625 HydrophobicContact CG2-CD2 4.39Å; V601-V632 HydrophobicContact CG1-CG2 4.27Å
602	A	87.4	Confident	85.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129	169.6	0	0	0	0	0	109.2	L573 Y576 G623 S624 F648	L573-A602 HydrophobicContact CD1-CB 3.67Å; Y576-A602 HydrophobicContact CD1-CB 4.31Å; Y576-A602 HydrophobicContact CE1-CB 4.11Å; A602-G623 CarbonylContact O-C 3.5Å; A602-G623 WeakPolarHBondContact O-CA 3.23Å; A602-S624 PolarHBondContact N-O 3.08Å; A602-S624 PolarHBondContact O-N 3.23Å; A602-F648 HydrophobicContact CB-CE1 4.06Å; A602-F648 HydrophobicContact CB-CZ 3.64Å
603	L	88.8	Confident	84.8	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130	179.9	-57.1	-178.3	0	0	0	109.7	W575 V601 Y621 L639	W575-L603 HydrophobicContact CB-CB 4.04Å; W575-L603 PolarHBondContact O-N 3.42Å; V601-L603 HydrophobicContact CG1-CD2 4.01Å; L603-Y621 HydrophobicContact CD1-CD2 4.18Å; L603-Y621 HydrophobicContact CD1-CG 4.2Å; L603-L639 HydrophobicContact CD1-CD2 3.4Å
604	L	85.6	Confident	83.6	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.058	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-39.3	-176.2	-57.8	-175.5	0	0	0	111.5	L571 L573 I622 I629 L658 I863	L571-L604 HydrophobicContact CD1-CD2 4.19Å; L573-L604 HydrophobicContact CD1-CD2 4.2Å; L573-L604 HydrophobicContact CD2-CD2 3.87Å; L604-I622 HydrophobicContact CD1-CG2 3.89Å; L604-I622 HydrophobicContact CG-CG2 4.38Å; L604-I622 PolarHBondContact N-O 3.1Å; L604-I629 HydrophobicContact CD1-CD1 3.93Å; L604-I629 HydrophobicContact CD1-CG1 4.28Å; L604-I629 HydrophobicContact CD1-CG2 3.69Å; L604-L658 HydrophobicContact CD1-CD1 4.04Å; L604-I863 HydrophobicContact CB-CD1 4.08Å
605	S	83.6	Confident	82.2	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.9	174.1	68.9	0	0	0	0	111.7	E607	S605-E607 VanDerWaalsContact C-N 3.28Å
606	R	81.7	Confident	81.6	Confident	169 Å²	169	65.2 Å²	65.2	64%	0.638	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-13.4	170.8	-173.6	174	174.3	-169.8	-2	112.4
607	E	84.4	Confident	81.3	Confident	108 Å²	108	64.4 Å²	64.4	51%	0.505	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.5	178.4	-57	-164.2	132.3	0	0	110.9	S605	S605-E607 VanDerWaalsContact C-N 3.28Å
608	T	87.2	Confident	81.2	Confident	59 Å²	59	60.8 Å²	60.8	36%	0.362	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.3	-175.8	55.7	0	0	0	0	111.6	E619 W620 Y621	T608-E619 HydrophobicContact CG2-CB 4.43Å; T608-W620 CarbonylContact C-O 3.52Å; T608-W620 WeakPolarHBondContact CA-O 3.3Å; T608-Y621 HydrophobicContact CG2-CD1 3.76Å; T608-Y621 HydrophobicContact CG2-CE1 3.48Å; T608-Y621 VanDerWaalsContact CG2-CE1 3.48Å
609	V	87.7	Confident	81.6	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.5	171.6	179.5	0	0	0	0	108.8	W620 I622 L631 L855	V609-W620 PolarHBondContact N-O 2.92Å; V609-W620 PolarHBondContact O-N 2.95Å; V609-I622 HydrophobicContact CG2-CD1 3.85Å; V609-I622 HydrophobicContact CG2-CG1 3.88Å; V609-L631 HydrophobicContact CB-CD2 3.99Å; V609-L631 HydrophobicContact CG1-CD1 4.36Å; V609-L631 HydrophobicContact CG1-CD2 4.23Å; V609-L631 HydrophobicContact CG2-CD2 4.14Å; V609-L855 HydrophobicContact CG1-CD2 3.48Å; V609-L855 VanDerWaalsContact CG1-CD2 3.48Å; V609-L855 HydrophobicContact CG1-CG 3.81Å
610	R	87.2	Confident	81.8	Confident	109 Å²	109	62.5 Å²	62.5	41%	0.411	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.1	177.7	-65.8	177.9	-68.2	172.5	-0.1	109.8	V617 K618 E619 Q831 L835	R610-V617 HydrophobicContact CB-CG1 4.11Å; R610-K618 WeakPolarHBondContact CA-O 3.22Å; R610-E619 HydrophobicContact CG-CG 4.47Å; R610-Q831 PolarHBondContact O-NE2 3.18Å; R610-L835 HydrophobicContact CB-CD1 4.01Å; R610-L835 HydrophobicContact CB-CD2 4.18Å; R610-L835 HydrophobicContact CB-CG 4.5Å; R610-L835 WeakPolarHBondContact O-CD2 3.46Å
611	S	81.3	Confident	82	Confident	7 Å²	7	63 Å²	63	5%	0.049	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.2	172.7	169.2	0	0	0	0	110.9	K618 W620 H834 D838	S611-K618 PolarHBondContact N-O 2.82Å; S611-K618 PolarHBondContact O-N 2.85Å; S611-W620 PolarHBondContact O-NE1 2.82Å; S611-H834 PolarHBondContact OG-CE1 2.79Å; S611-D838 PolarHBondContact OG-OD2 2.8Å
612	V	71.3	Confident	82.2	Confident	31 Å²	31	63.1 Å²	63.1	19%	0.188	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.4	-178.7	-176.8	0	0	0	0	110.4	V617 L835 D838 K839	V612-V617 HydrophobicContact CG2-CG2 3.91Å; V612-L835 HydrophobicContact CG2-CD2 4.44Å; V612-D838 HydrophobicContact CB-CB 3.83Å; V612-D838 HydrophobicContact CG2-CB 3.67Å; V612-D838 PolarHBondContact N-OD2 2.82Å; V612-K839 HydrophobicContact CG2-CG 4.48Å
613	G	66.1	Low	82.3	Confident	15 Å²	15	63.1 Å²	63.1	16%	0.155	30%	0.304	C	S	.	.			trans	-77.4	-134.8	168	0	0	0	0	0	111.6	K616	G613-K616 PolarHBondContact N-O 2.9Å
614	N	63.1	Low	82.3	Confident	141 Å²	141	63.1 Å²	63.1	75%	0.754	30%	0.304	S	S	*	.	S	Bend	trans	-72.2	-38.1	178.5	-64.3	19.2	0	0	0	112
615	L	61.3	Low	82.4	Confident	165 Å²	165	63.4 Å²	63.4	86%	0.864	31%	0.305	S	S	*	.	S	Bend	trans	-144.3	-7.8	-171.1	-68	173.9	0	0	0	115.7
616	K	76.1	Confident	82.3	Confident	167 Å²	167	68.8 Å²	68.8	73%	0.726	32%	0.323	S	S	*	.	S	Bend	trans	-143.4	150.5	-177.7	-66.8	-170.8	178.2	-175.5	0	110.6	G613	G613-K616 PolarHBondContact N-O 2.9Å
617	V	82.2	Confident	82.2	Confident	74 Å²	74	62.3 Å²	62.3	45%	0.448	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	140.1	165.9	-177.6	0	0	0	0	108.8	R610 V612 L835	R610-V617 HydrophobicContact CB-CG1 4.11Å; V612-V617 HydrophobicContact CG2-CG2 3.91Å; V617-L835 HydrophobicContact CG1-CD2 4.06Å; V617-L835 HydrophobicContact CG2-CD2 4.25Å
618	K	87.6	Confident	82.2	Confident	80 Å²	80	64.5 Å²	64.5	35%	0.348	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.6	178.1	-74.5	174.4	158.5	-139.2	0	109.8	R610 S611 W620 H633	R610-K618 WeakPolarHBondContact CA-O 3.22Å; S611-K618 PolarHBondContact N-O 2.82Å; S611-K618 PolarHBondContact O-N 2.85Å; K618-W620 HydrophobicContact CB-CZ2 4.3Å; K618-W620 HydrophobicContact CD-CZ2 4.01Å; K618-W620 PolarHBondContact O-NE1 3.46Å; K618-H633 WeakPolarHBondContact CD-NE2 3.29Å; K618-H633 WeakPolarHBondContact CE-NE2 3.34Å; K618-H633 PolarHBondContact NZ-NE2 2.89Å
619	E	90.1	Very high	82.3	Confident	108 Å²	108	62.1 Å²	62.1	51%	0.505	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141	170.7	-69.7	136	-173.3	0	0	110.6	T608 R610 C634	T608-E619 HydrophobicContact CG2-CB 4.43Å; R610-E619 HydrophobicContact CG-CG 4.47Å; E619-C634 HydrophobicContact CB-CB 4.4Å; E619-C634 PolarHBondContact O-N 3.23Å; E619-C634 VanDerWaalsContact O-N 3.13Å; E619-C634 PolarHBondContact O-SG 2.91Å
620	W	91.1	Very high	82.4	Confident	25 Å²	25	62 Å²	62	10%	0.095	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.2	-179.1	-50.9	78	0	0	0	109.7	L592 T608 V609 S611 K618 L631 V632 H633 C634	L592-W620 HydrophobicContact CD2-CZ3 4.43Å; T608-W620 CarbonylContact C-O 3.52Å; T608-W620 WeakPolarHBondContact CA-O 3.3Å; V609-W620 PolarHBondContact N-O 2.92Å; V609-W620 PolarHBondContact O-N 2.95Å; S611-W620 PolarHBondContact O-NE1 2.82Å; K618-W620 HydrophobicContact CB-CZ2 4.3Å; K618-W620 HydrophobicContact CD-CZ2 4.01Å; K618-W620 PolarHBondContact O-NE1 3.46Å; W620-L631 HydrophobicContact CB-CB 3.94Å; W620-L631 HydrophobicContact CB-CD1 4.31Å; W620-L631 HydrophobicContact CB-CD2 4.18Å; W620-L631 HydrophobicContact CB-CG 4.37Å; W620-L631 HydrophobicContact CD2-CB 4.27Å; W620-L631 HydrophobicContact CE3-CB 4Å; W620-L631 HydrophobicContact CG-CB 4.26Å; W620-L631 HydrophobicContact CG-CD1 4.31Å; W620-V632 CarbonylContact C-O 3.55Å; W620-V632 VanDerWaalsContact CA-O 3.22Å; W620-V632 WeakPolarHBondContact CA-O 3.4Å; W620-H633 HydrophobicContact CD2-CB 4.38Å; W620-H633 HydrophobicContact CE3-CB 3.8Å; W620-H633 VanDerWaalsContact CE3-N 3.3Å; W620-H633 HydrophobicContact CH2-CB 4.27Å; W620-H633 HydrophobicContact CZ3-CB 3.73Å; W620-C634 VanDerWaalsContact C-SG 3.57Å; W620-C634 VanDerWaalsContact CA-SG 3.59Å; W620-C634 PolarHBondContact N-SG 2.96Å
621	Y	91.5	Very high	82.6	Confident	37 Å²	37	56.9 Å²	56.9	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	152.8	165.8	-61.8	-61.6	0	0	0	109.9	L603 T608 L631 V632 C634 L639	L603-Y621 HydrophobicContact CD1-CD2 4.18Å; L603-Y621 HydrophobicContact CD1-CG 4.2Å; T608-Y621 HydrophobicContact CG2-CD1 3.76Å; T608-Y621 HydrophobicContact CG2-CE1 3.48Å; T608-Y621 VanDerWaalsContact CG2-CE1 3.48Å; Y621-L631 WeakPolarHBondContact O-CA 3.34Å; Y621-V632 PolarHBondContact N-O 3.38Å; Y621-V632 PolarHBondContact O-N 3.29Å; Y621-C634 HydrophobicContact CD2-CB 4.05Å; Y621-C634 VanDerWaalsContact CD2-SG 3.53Å; Y621-C634 HydrophobicContact CE2-CB 3.63Å; Y621-C634 VanDerWaalsContact CE2-SG 3.52Å; Y621-C634 PolarHBondContact N-SG 3.08Å; Y621-L639 HydrophobicContact CE2-CD2 4.44Å
622	I	91.6	Very high	83	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112.4	166.3	-57.1	174.9	0	0	0	107.6	L604 V609 I629 L631 I856 N859	L604-I622 HydrophobicContact CD1-CG2 3.89Å; L604-I622 HydrophobicContact CG-CG2 4.38Å; L604-I622 PolarHBondContact N-O 3.1Å; V609-I622 HydrophobicContact CG2-CD1 3.85Å; V609-I622 HydrophobicContact CG2-CG1 3.88Å; I622-I629 HydrophobicContact CG2-CG2 3.71Å; I622-L631 HydrophobicContact CG1-CD2 4.03Å; I622-I856 HydrophobicContact CD1-CG2 4.47Å; I622-I856 HydrophobicContact CG2-CG2 3.91Å; I622-N859 HydrophobicContact CD1-CB 3.39Å
623	G	89.8	Confident	83.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	162.2	178.9	0	0	0	0	0	112.7	L593 A602 I629 G630	L593-G623 WeakPolarHBondContact CD1-O 3.32Å; A602-G623 CarbonylContact O-C 3.5Å; A602-G623 WeakPolarHBondContact O-CA 3.23Å; G623-I629 VanDerWaalsContact O-CA 3.3Å; G623-I629 WeakPolarHBondContact O-CA 3.4Å; G623-G630 PolarHBondContact N-O 2.99Å; G623-G630 PolarHBondContact O-N 3.32Å
624	S	88.6	Confident	85	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.4	165.8	-170.9	0	0	0	0	109.4	A602 R628 V653	A602-S624 PolarHBondContact N-O 3.08Å; A602-S624 PolarHBondContact O-N 3.23Å; S624-R628 WeakPolarHBondContact CA-O 3.19Å; S624-V653 WeakPolarHBondContact OG-CG2 3.27Å
625	L	86.3	Confident	86.3	Confident	18 Å²	18	59.4 Å²	59.4	9%	0.094	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	129.4	176.6	-176.4	60.8	0	0	0	109.6	L593 E594 V601 G627 R628	L593-L625 HydrophobicContact CD1-CB 3.99Å; E594-L625 WeakPolarHBondContact O-CD2 3.24Å; V601-L625 HydrophobicContact CG2-CD2 4.39Å; L625-G627 VanDerWaalsContact C-N 3.3Å; L625-G627 PolarHBondContact O-N 3.25Å; L625-R628 PolarHBondContact N-O 2.77Å; L625-R628 PolarHBondContact O-N 2.9Å
626	R	82.8	Confident	87.6	Confident	127 Å²	127	52.7 Å²	52.7	48%	0.479	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	48.6	-179.3	-55.7	177.1	-161	151.5	3.2	112.7	F596 E599 R628	F596-R626 VanDerWaalsContact CD2-NH2 3.33Å; E599-R626 VanDerWaalsContact CD-NH2 3.28Å; E599-R626 IonicContact OE1-CZ 3.88Å; E599-R626 IonicContact OE1-NE 2.68Å; E599-R626 IonicContact OE1-NH2 3.51Å; E599-R626 PolarHBondContact OE1-NH2 2.77Å; E599-R626 IonicContact OE2-NH2 2.69Å; E599-R626 PolarHBondContact OE2-NH2 2.93Å; E599-R626 VanDerWaalsContact OE2-NH2 3.14Å; R626-R628 PolarHBondContact O-N 3.32Å
627	G	78.8	Confident	88.2	Confident	33 Å²	33	45.4 Å²	45.4	34%	0.34	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	3.1	-179.8	0	0	0	0	0	116.5	L625 N661	L625-G627 VanDerWaalsContact C-N 3.3Å; L625-G627 PolarHBondContact O-N 3.25Å; G627-N661 PolarHBondContact O-ND2 2.99Å
628	R	85.1	Confident	88.6	Confident	154 Å²	154	48 Å²	48	58%	0.581	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.7	179.6	-62	-177.7	-179.6	-154.3	-3.8	111.1	L593 S624 L625 R626	L593-R628 HydrophobicContact CD2-CB 3.93Å; S624-R628 WeakPolarHBondContact CA-O 3.19Å; L625-R628 PolarHBondContact N-O 2.77Å; L625-R628 PolarHBondContact O-N 2.9Å; R626-R628 PolarHBondContact O-N 3.32Å
629	I	89.4	Confident	88.6	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.7	174.9	-61.8	170.6	0	0	0	109.6	L604 I622 G623 L658 N661 I856	L604-I629 HydrophobicContact CD1-CD1 3.93Å; L604-I629 HydrophobicContact CD1-CG1 4.28Å; L604-I629 HydrophobicContact CD1-CG2 3.69Å; I622-I629 HydrophobicContact CG2-CG2 3.71Å; G623-I629 VanDerWaalsContact O-CA 3.3Å; G623-I629 WeakPolarHBondContact O-CA 3.4Å; I629-L658 HydrophobicContact CD1-CB 4.36Å; I629-L658 HydrophobicContact CD1-CD1 3.51Å; I629-N661 HydrophobicContact CB-CB 3.96Å; I629-N661 HydrophobicContact CD1-CB 3.92Å; I629-N661 HydrophobicContact CG1-CB 4.15Å; I629-N661 PolarHBondContact N-OD1 2.8Å; I629-I856 HydrophobicContact CG2-CG2 3.86Å
630	G	89.9	Confident	88.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	177.1	-176.3	0	0	0	0	0	114.5	Y591 G623	Y591-G630 WeakPolarHBondContact O-CA 3.36Å; G623-G630 PolarHBondContact N-O 2.99Å; G623-G630 PolarHBondContact O-N 3.32Å
631	L	90.9	Very high	87.7	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.9	-176.7	-62.1	-174.2	0	0	0	112.7	Y591 L592 L593 V609 W620 Y621 I622 T852 I856	Y591-L631 PolarHBondContact O-N 3.25Å; L592-L631 HydrophobicContact CD2-CB 3.92Å; L592-L631 HydrophobicContact CD2-CD1 4.36Å; L593-L631 PolarHBondContact N-O 3.44Å; V609-L631 HydrophobicContact CB-CD2 3.99Å; V609-L631 HydrophobicContact CG1-CD1 4.36Å; V609-L631 HydrophobicContact CG1-CD2 4.23Å; V609-L631 HydrophobicContact CG2-CD2 4.14Å; W620-L631 HydrophobicContact CB-CB 3.94Å; W620-L631 HydrophobicContact CB-CD1 4.31Å; W620-L631 HydrophobicContact CB-CD2 4.18Å; W620-L631 HydrophobicContact CB-CG 4.37Å; W620-L631 HydrophobicContact CD2-CB 4.27Å; W620-L631 HydrophobicContact CE3-CB 4Å; W620-L631 HydrophobicContact CG-CB 4.26Å; W620-L631 HydrophobicContact CG-CD1 4.31Å; Y621-L631 WeakPolarHBondContact O-CA 3.34Å; I622-L631 HydrophobicContact CG1-CD2 4.03Å; L631-T852 HydrophobicContact CD1-CG2 3.64Å; L631-T852 HydrophobicContact CG-CG2 4.34Å; L631-I856 HydrophobicContact CD2-CD1 4.31Å; L631-I856 HydrophobicContact CD2-CG1 3.9Å; L631-I856 HydrophobicContact CG-CD1 4.19Å; L631-I856 HydrophobicContact CG-CG1 4.29Å
632	V	90.3	Very high	86.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	176.9	-166.7	0	0	0	0	109.9	L593 Y595 V601 W620 Y621 C634 V637	L593-V632 HydrophobicContact CB-CG2 4.12Å; L593-V632 HydrophobicContact CD1-CG2 3.74Å; L593-V632 HydrophobicContact CG-CG2 4.27Å; Y595-V632 HydrophobicContact CD1-CG1 4.33Å; Y595-V632 HydrophobicContact CE1-CG1 3.72Å; V601-V632 HydrophobicContact CG1-CG2 4.27Å; W620-V632 CarbonylContact C-O 3.55Å; W620-V632 VanDerWaalsContact CA-O 3.22Å; W620-V632 WeakPolarHBondContact CA-O 3.4Å; Y621-V632 PolarHBondContact N-O 3.38Å; Y621-V632 PolarHBondContact O-N 3.29Å; V632-C634 PolarHBondContact O-N 3.31Å; V632-V637 HydrophobicContact CB-CG2 4.41Å; V632-V637 HydrophobicContact CG1-CG2 3.36Å
633	H	90.1	Very high	85.7	Confident	17 Å²	17	55.6 Å²	55.6	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123.1	-174.7	-179.1	-116.5	0	0	0	111.4	K618 W620 R635 N636	K618-H633 WeakPolarHBondContact CD-NE2 3.29Å; K618-H633 WeakPolarHBondContact CE-NE2 3.34Å; K618-H633 PolarHBondContact NZ-NE2 2.89Å; W620-H633 HydrophobicContact CD2-CB 4.38Å; W620-H633 HydrophobicContact CE3-CB 3.8Å; W620-H633 VanDerWaalsContact CE3-N 3.3Å; W620-H633 HydrophobicContact CH2-CB 4.27Å; W620-H633 HydrophobicContact CZ3-CB 3.73Å; H633-R635 VanDerWaalsContact C-N 3.29Å; H633-R635 PolarHBondContact O-N 3.37Å; H633-R635 VanDerWaalsContact O-N 3.14Å; H633-N636 HydrophobicContact CB-CB 4.31Å; H633-N636 PolarHBondContact ND1-OD1 2.77Å; H633-N636 WeakPolarHBondContact O-CA 3.45Å; H633-N636 WeakPolarHBondContact O-CB 3.3Å; H633-N636 PolarHBondContact O-N 2.73Å
634	C	89.3	Confident	84.6	Confident	19 Å²	19	61.4 Å²	61.4	13%	0.128	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.5	-37.8	-170	-60.5	0	0	0	0	113.3	E619 W620 Y621 V632 N636 V637	E619-C634 HydrophobicContact CB-CB 4.4Å; E619-C634 PolarHBondContact O-N 3.23Å; E619-C634 VanDerWaalsContact O-N 3.13Å; E619-C634 PolarHBondContact O-SG 2.91Å; W620-C634 VanDerWaalsContact C-SG 3.57Å; W620-C634 VanDerWaalsContact CA-SG 3.59Å; W620-C634 PolarHBondContact N-SG 2.96Å; Y621-C634 HydrophobicContact CD2-CB 4.05Å; Y621-C634 VanDerWaalsContact CD2-SG 3.53Å; Y621-C634 HydrophobicContact CE2-CB 3.63Å; Y621-C634 VanDerWaalsContact CE2-SG 3.52Å; Y621-C634 PolarHBondContact N-SG 3.08Å; V632-C634 PolarHBondContact O-N 3.31Å; C634-N636 PolarHBondContact O-N 2.78Å; C634-V637 PolarHBondContact O-N 2.8Å; C634-V637 VanDerWaalsContact O-O 3.13Å
635	R	88.7	Confident	83.7	Confident	210 Å²	210	63 Å²	63	79%	0.792	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-72.2	-4.2	177.3	-52.5	-173.6	-179.7	-161.6	-2.9	114.8	H633	H633-R635 VanDerWaalsContact C-N 3.29Å; H633-R635 PolarHBondContact O-N 3.37Å; H633-R635 VanDerWaalsContact O-N 3.14Å
636	N	89.7	Confident	82.5	Confident	24 Å²	24	69.8 Å²	69.8	13%	0.128	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-99.8	-0	175.9	-66.4	16.4	0	0	0	112	A579 L580 Y595 H633 C634	A579-N636 CarbonylContact C-O 3.58Å; A579-N636 WeakPolarHBondContact CA-O 3.46Å; L580-N636 PolarHBondContact N-O 2.86Å; Y595-N636 HydrophobicContact CE2-CB 4.2Å; Y595-N636 WeakPolarHBondContact OH-CB 3.29Å; Y595-N636 PolarHBondContact OH-ND2 3.11Å; H633-N636 HydrophobicContact CB-CB 4.31Å; H633-N636 PolarHBondContact ND1-OD1 2.77Å; H633-N636 WeakPolarHBondContact O-CA 3.45Å; H633-N636 WeakPolarHBondContact O-CB 3.3Å; H633-N636 PolarHBondContact O-N 2.73Å; C634-N636 PolarHBondContact O-N 2.78Å
637	V	88.9	Confident	81.2	Confident	14 Å²	14	71.2 Å²	71.2	9%	0.085	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.5	-176.3	-178.2	0	0	0	0	109.4	V578 V632 C634	V578-V637 WeakPolarHBondContact O-CA 3.43Å; V632-V637 HydrophobicContact CB-CG2 4.41Å; V632-V637 HydrophobicContact CG1-CG2 3.36Å; C634-V637 PolarHBondContact O-N 2.8Å; C634-V637 VanDerWaalsContact O-O 3.13Å
638	K	89.3	Confident	80.3	Confident	130 Å²	130	72.4 Å²	72.4	57%	0.565	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	164.2	179.8	-171	173.4	-166.4	0	108.2	G577 V578 L580	G577-K638 CarbonylContact C-O 3.56Å; G577-K638 WeakPolarHBondContact CA-O 3.44Å; V578-K638 PolarHBondContact N-O 2.65Å; V578-K638 PolarHBondContact O-N 2.75Å; L580-K638 HydrophobicContact CD1-CB 4.27Å; L580-K638 HydrophobicContact CD2-CB 3.94Å; L580-K638 HydrophobicContact CG-CB 4.24Å
639	L	88	Confident	78.7	Confident	74 Å²	74	70.1 Å²	70.1	39%	0.387	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	140.4	172.1	-61.6	175.4	0	0	0	110.3	Y576 L603 Y621	Y576-L639 WeakPolarHBondContact O-CA 3.35Å; L603-L639 HydrophobicContact CD1-CD2 3.4Å; Y621-L639 HydrophobicContact CE2-CD2 4.44Å
640	I	85.4	Confident	76.9	Confident	23 Å²	23	76.4 Å²	76.4	12%	0.118	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.4	175.6	56.8	162.3	0	0	0	109.9	Y576 V578 T600 Q644 V645	Y576-I640 PolarHBondContact O-N 2.81Å; V578-I640 HydrophobicContact CG2-CD1 3.92Å; V578-I640 HydrophobicContact CG2-CG1 4.39Å; V578-I640 HydrophobicContact CG2-CG2 3.94Å; T600-I640 HydrophobicContact CG2-CD1 4.39Å; I640-Q644 HydrophobicContact CB-CB 4.28Å; I640-V645 HydrophobicContact CD1-CG2 3.81Å
641	A	77.9	Confident	75.2	Confident	46 Å²	46	77.5 Å²	77.5	38%	0.38	40%	0.399	S	S	.	.			trans	-72.3	155.4	170.8	0	0	0	0	0	110.6	E643 Q644	A641-E643 PolarHBondContact O-N 3.09Å; A641-Q644 HydrophobicContact CB-CG 4.29Å; A641-Q644 WeakPolarHBondContact O-CB 3.48Å; A641-Q644 PolarHBondContact O-N 3.43Å
642	V	72.6	Confident	74	Confident	79 Å²	79	84.8 Å²	84.8	48%	0.479	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-57.1	-37.4	176.6	-175	0	0	0	0	111.2	Y576 Q644 V645	Y576-V642 HydrophobicContact CD2-CG2 4.16Å; Y576-V642 HydrophobicContact CE2-CG1 4.24Å; Y576-V642 HydrophobicContact CE2-CG2 4.19Å; V642-Q644 PolarHBondContact O-N 2.79Å; V642-Q644 VanDerWaalsContact O-N 3.14Å; V642-V645 WeakPolarHBondContact O-CB 3.49Å; V642-V645 WeakPolarHBondContact O-CG2 3.43Å; V642-V645 PolarHBondContact O-N 2.89Å
643	E	67.8	Low	73.2	Confident	187 Å²	187	85.1 Å²	85.1	87%	0.874	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-62	-16	175	-60.9	169.2	-176.7	0	0	114.5	A641	A641-E643 PolarHBondContact O-N 3.09Å
644	Q	67.6	Low	73.1	Confident	123 Å²	123	85.7 Å²	85.7	58%	0.575	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-103	8.9	-177.9	-63.6	176.2	-7.1	0	0	112.4	I640 A641 V642 M646	I640-Q644 HydrophobicContact CB-CB 4.28Å; A641-Q644 HydrophobicContact CB-CG 4.29Å; A641-Q644 WeakPolarHBondContact O-CB 3.48Å; A641-Q644 PolarHBondContact O-N 3.43Å; V642-Q644 PolarHBondContact O-N 2.79Å; V642-Q644 VanDerWaalsContact O-N 3.14Å; Q644-M646 PolarHBondContact O-N 3.35Å
645	V	69.2	Low	72.9	Confident	35 Å²	35	84.8 Å²	84.8	21%	0.212	43%	0.434	C	S	.	.			trans	-83.2	104.4	179.8	177.8	0	0	0	0	110	Y576 T600 I640 V642 F648	Y576-V645 HydrophobicContact CD1-CG1 4.48Å; Y576-V645 HydrophobicContact CD1-CG2 3.97Å; Y576-V645 HydrophobicContact CD2-CG2 3.77Å; Y576-V645 HydrophobicContact CE1-CG2 4.47Å; Y576-V645 HydrophobicContact CE2-CG2 4.3Å; Y576-V645 HydrophobicContact CG-CG2 3.58Å; T600-V645 HydrophobicContact CG2-CG1 4.4Å; I640-V645 HydrophobicContact CD1-CG2 3.81Å; V642-V645 WeakPolarHBondContact O-CB 3.49Å; V642-V645 WeakPolarHBondContact O-CG2 3.43Å; V642-V645 PolarHBondContact O-N 2.89Å; V645-F648 HydrophobicContact CG1-CB 3.7Å; V645-F648 HydrophobicContact CG1-CD2 4.28Å; V645-F648 HydrophobicContact CG1-CG 4.28Å
646	M	61.1	Low	72.8	Confident	160 Å²	160	75.9 Å²	75.9	79%	0.788	41%	0.405	S	S	*	.			trans	-66.1	141.5	166.2	-64.3	-81	-70.2	0	0	110.2	Q644 F648	Q644-M646 PolarHBondContact O-N 3.35Å; M646-F648 PolarHBondContact O-N 3.23Å; M646-F648 VanDerWaalsContact O-N 3.1Å
647	D	54.6	Low	72.7	Confident	156 Å²	156	76.8 Å²	76.8	83%	0.834	41%	0.412	S	S	*	.			trans	-4.9	89	-178.3	-83.7	-37	0	0	0	116.3	S649	D647-S649 PolarHBondContact O-N 2.65Å; D647-S649 VanDerWaalsContact O-N 3.08Å
648	F	61.1	Low	72.7	Confident	58 Å²	58	76.1 Å²	76.1	25%	0.254	41%	0.408	S	S	.	.			trans	-86.8	51.1	176.1	-155.7	-100.3	0	0	0	111.6	Y576 T600 A602 V645 M646 D650 A651	Y576-F648 HydrophobicContact CD1-CE2 4.42Å; Y576-F648 HydrophobicContact CE1-CD1 4.19Å; Y576-F648 HydrophobicContact CE1-CD2 4.32Å; Y576-F648 HydrophobicContact CE1-CE1 4.2Å; Y576-F648 HydrophobicContact CE1-CE2 4.34Å; Y576-F648 HydrophobicContact CE1-CG 4.25Å; Y576-F648 HydrophobicContact CE1-CZ 4.29Å; T600-F648 HydrophobicContact CG2-CD2 3.75Å; T600-F648 HydrophobicContact CG2-CE2 3.74Å; A602-F648 HydrophobicContact CB-CE1 4.06Å; A602-F648 HydrophobicContact CB-CZ 3.64Å; V645-F648 HydrophobicContact CG1-CB 3.7Å; V645-F648 HydrophobicContact CG1-CD2 4.28Å; V645-F648 HydrophobicContact CG1-CG 4.28Å; M646-F648 PolarHBondContact O-N 3.23Å; M646-F648 VanDerWaalsContact O-N 3.1Å; F648-D650 VanDerWaalsContact C-N 3.32Å; F648-D650 PolarHBondContact O-N 3.46Å; F648-A651 VanDerWaalsContact CE1-O 3.29Å; F648-A651 WeakPolarHBondContact CE1-O 3.48Å
649	S	52	Low	72.8	Confident	106 Å²	106	70.4 Å²	70.4	74%	0.741	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.9	-171.9	46.3	0	0	0	0	114.6	D647	D647-S649 PolarHBondContact O-N 2.65Å; D647-S649 VanDerWaalsContact O-N 3.08Å
650	D	49.6	Very low	72.8	Confident	142 Å²	142	71.1 Å²	71.1	76%	0.759	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	1.9	-160	-129.1	26.4	0	0	0	115.8	F648	F648-D650 VanDerWaalsContact C-N 3.32Å; F648-D650 PolarHBondContact O-N 3.46Å
651	A	55.5	Low	73	Confident	24 Å²	24	71.3 Å²	71.3	20%	0.198	39%	0.389	C	S	.	.			trans	-171.8	102.3	160.7	0	0	0	0	0	112.9	F648 V653	F648-A651 VanDerWaalsContact CE1-O 3.29Å; F648-A651 WeakPolarHBondContact CE1-O 3.48Å; A651-V653 PolarHBondContact O-N 3.35Å
652	Q	65.1	Low	73.6	Confident	154 Å²	154	69.2 Å²	69.2	72%	0.72	37%	0.371	S	S	*	.			trans	-65.4	119.5	151.6	-70.2	-171.5	4	0	0	107.8	T654	Q652-T654 PolarHBondContact O-N 3.4Å
653	V	74.8	Confident	74.4	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.042	35%	0.348	C	S	.	.			trans	-78.7	113	178	-168.7	0	0	0	0	107.4	L571 L573 S624 A651 V657	L571-V653 WeakPolarHBondContact CB-O 3.42Å; L571-V653 HydrophobicContact CD1-CB 4.06Å; L571-V653 HydrophobicContact CD1-CG1 3.64Å; L571-V653 HydrophobicContact CG-CG1 4.43Å; L571-V653 VanDerWaalsContact CG-O 3.28Å; L571-V653 WeakPolarHBondContact CG-O 3.43Å; L571-V653 PolarHBondContact N-O 2.81Å; L573-V653 HydrophobicContact CD1-CB 4.35Å; L573-V653 HydrophobicContact CD1-CG2 4.04Å; S624-V653 WeakPolarHBondContact OG-CG2 3.27Å; A651-V653 PolarHBondContact O-N 3.35Å; V653-V657 HydrophobicContact CG1-CG1 4.43Å
654	T	86.2	Confident	75.5	Confident	28 Å²	28	59.7 Å²	59.7	17%	0.172	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-96.9	162.4	177.6	78.9	0	0	0	0	111.7	D568 T569 Q652 A656 V657 L658	D568-T654 WeakPolarHBondContact OD1-CB 3.42Å; D568-T654 PolarHBondContact OD1-OG1 3.3Å; D568-T654 PolarHBondContact OD2-OG1 2.87Å; D568-T654 VanDerWaalsContact OD2-OG1 3.12Å; T569-T654 CarbonylContact O-C 3.54Å; T569-T654 WeakPolarHBondContact O-CA 3.44Å; Q652-T654 PolarHBondContact O-N 3.4Å; T654-A656 PolarHBondContact O-N 3.03Å; T654-A656 PolarHBondContact OG1-N 3.02Å; T654-V657 PolarHBondContact O-N 3.02Å; T654-V657 VanDerWaalsContact O-N 3.07Å; T654-V657 PolarHBondContact OG1-N 2.98Å; T654-L658 PolarHBondContact O-N 3.47Å
655	T	86.1	Confident	76.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-30.2	175.9	50.9	0	0	0	0	112.1	K567 D568 T569 L571 L658 L659 A867 A868	K567-T655 PolarHBondContact O-OG1 3.03Å; K567-T655 VanDerWaalsContact O-OG1 3.05Å; D568-T655 WeakPolarHBondContact CA-OG1 3.48Å; D568-T655 PolarHBondContact OD1-N 2.78Å; D568-T655 PolarHBondContact OD1-OG1 3.45Å; T569-T655 PolarHBondContact N-OG1 3.47Å; T569-T655 PolarHBondContact O-N 3.27Å; L571-T655 HydrophobicContact CD2-CG2 3.77Å; T655-L658 PolarHBondContact O-N 3.39Å; T655-L659 VanDerWaalsContact O-CB 3.23Å; T655-L659 WeakPolarHBondContact O-CB 3.42Å; T655-L659 PolarHBondContact O-N 3.16Å; T655-A867 HydrophobicContact CG2-CB 3.84Å; T655-A868 HydrophobicContact CG2-CB 4.08Å
656	A	86.4	Confident	77.6	Confident	24 Å²	24	52.3 Å²	52.3	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-38.5	171.8	0	0	0	0	0	113.1	D568 T654 L658 N660	D568-A656 HydrophobicContact CB-CB 4.33Å; D568-A656 VanDerWaalsContact CG-CB 3.44Å; D568-A656 WeakPolarHBondContact OD1-CB 3.41Å; D568-A656 PolarHBondContact OD1-N 3.02Å; T654-A656 PolarHBondContact O-N 3.03Å; T654-A656 PolarHBondContact OG1-N 3.02Å; A656-L658 VanDerWaalsContact C-N 3.32Å; A656-N660 WeakPolarHBondContact O-CB 3.47Å; A656-N660 PolarHBondContact O-N 3.49Å; A656-N660 PolarHBondContact O-ND2 3.37Å
657	V	87.6	Confident	78.9	Confident	43 Å²	43	50.5 Å²	50.5	26%	0.261	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-40.8	173.3	176	0	0	0	0	110.4	V653 T654 N661	V653-V657 HydrophobicContact CG1-CG1 4.43Å; T654-V657 PolarHBondContact O-N 3.02Å; T654-V657 VanDerWaalsContact O-N 3.07Å; T654-V657 PolarHBondContact OG1-N 2.98Å; V657-N661 PolarHBondContact O-N 3.33Å; V657-N661 PolarHBondContact O-ND2 3.42Å
658	L	89.1	Confident	80.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-53.3	175.3	-180	56.3	0	0	0	111.4	L571 L604 I629 T654 T655 A656 N660 N661 M662 C860 F864	L571-L658 HydrophobicContact CD1-CB 4.4Å; L571-L658 HydrophobicContact CD1-CD2 3.88Å; L571-L658 HydrophobicContact CD2-CD2 4.17Å; L604-L658 HydrophobicContact CD1-CD1 4.04Å; I629-L658 HydrophobicContact CD1-CB 4.36Å; I629-L658 HydrophobicContact CD1-CD1 3.51Å; T654-L658 PolarHBondContact O-N 3.47Å; T655-L658 PolarHBondContact O-N 3.39Å; A656-L658 VanDerWaalsContact C-N 3.32Å; L658-N660 PolarHBondContact O-N 3.44Å; L658-N661 PolarHBondContact O-N 2.87Å; L658-M662 HydrophobicContact CD1-CG 3.99Å; L658-M662 HydrophobicContact CD1-SD 3.62Å; L658-M662 HydrophobicContact CD2-SD 4.34Å; L658-M662 HydrophobicContact CG-CG 4.42Å; L658-M662 HydrophobicContact CG-SD 3.58Å; L658-M662 VanDerWaalsContact CG-SD 3.58Å; L658-M662 WeakPolarHBondContact O-CB 3.47Å; L658-M662 VanDerWaalsContact O-CG 3.29Å; L658-M662 WeakPolarHBondContact O-CG 3.14Å; L658-M662 PolarHBondContact O-N 3.32Å; L658-C860 HydrophobicContact CD1-CB 4.11Å; L658-F864 HydrophobicContact CD2-CB 3.84Å; L658-F864 HydrophobicContact CD2-CD2 4.02Å; L658-F864 HydrophobicContact CD2-CG 4.45Å; L658-F864 HydrophobicContact CG-CB 4.39Å; L658-F864 HydrophobicContact CG-CD2 4.12Å
659	L	90.6	Very high	81.7	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-55.3	-45.3	177.8	-179.5	57.5	0	0	0	112.9	F566 T655 M662 T663 V742 L745 K746 F864	F566-L659 HydrophobicContact CE2-CD2 4.43Å; F566-L659 HydrophobicContact CZ-CD2 4.3Å; T655-L659 VanDerWaalsContact O-CB 3.23Å; T655-L659 WeakPolarHBondContact O-CB 3.42Å; T655-L659 PolarHBondContact O-N 3.16Å; L659-M662 PolarHBondContact O-N 2.86Å; L659-T663 HydrophobicContact CD1-CG2 4Å; L659-T663 WeakPolarHBondContact O-CB 3.48Å; L659-T663 WeakPolarHBondContact O-CG2 3.38Å; L659-T663 PolarHBondContact O-N 3.48Å; L659-T663 PolarHBondContact O-OG1 3.41Å; L659-V742 HydrophobicContact CD2-CG1 4.4Å; L659-L745 HydrophobicContact CD1-CB 3.59Å; L659-L745 HydrophobicContact CD1-CD1 3.48Å; L659-L745 VanDerWaalsContact CD1-CD1 3.48Å; L659-L745 HydrophobicContact CD1-CG 4.17Å; L659-K746 HydrophobicContact CD2-CG 4.31Å; L659-F864 HydrophobicContact CB-CE2 3.79Å; L659-F864 HydrophobicContact CB-CZ 4.34Å; L659-F864 HydrophobicContact CD1-CE2 4.25Å; L659-F864 HydrophobicContact CD1-CZ 4.04Å; L659-F864 HydrophobicContact CD2-CZ 4.37Å; L659-F864 HydrophobicContact CG-CE2 4.41Å; L659-F864 HydrophobicContact CG-CZ 4.49Å
660	N	88.9	Confident	83.5	Confident	89 Å²	89	44.1 Å²	44.1	48%	0.476	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-51.1	177.9	-84.8	-66.7	0	0	0	111.4	A656 L658 M662 T663 L664	A656-N660 WeakPolarHBondContact O-CB 3.47Å; A656-N660 PolarHBondContact O-N 3.49Å; A656-N660 PolarHBondContact O-ND2 3.37Å; L658-N660 PolarHBondContact O-N 3.44Å; N660-M662 PolarHBondContact O-N 3.31Å; N660-T663 PolarHBondContact O-N 3.22Å; N660-T663 PolarHBondContact O-OG1 2.83Å; N660-L664 WeakPolarHBondContact O-CG 3.36Å; N660-L664 PolarHBondContact O-N 3.13Å
661	N	89.4	Confident	85.4	Confident	28 Å²	28	40.3 Å²	40.3	15%	0.15	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-43.5	178.9	-81.8	-90.5	0	0	0	112	G627 I629 V657 L658 T663 L664	G627-N661 PolarHBondContact O-ND2 2.99Å; I629-N661 HydrophobicContact CB-CB 3.96Å; I629-N661 HydrophobicContact CD1-CB 3.92Å; I629-N661 HydrophobicContact CG1-CB 4.15Å; I629-N661 PolarHBondContact N-OD1 2.8Å; V657-N661 PolarHBondContact O-N 3.33Å; V657-N661 PolarHBondContact O-ND2 3.42Å; L658-N661 PolarHBondContact O-N 2.87Å; N661-T663 VanDerWaalsContact C-N 3.26Å; N661-T663 PolarHBondContact O-N 2.76Å; N661-L664 PolarHBondContact O-N 3.38Å
662	M	89.8	Confident	86.9	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-33.2	177.3	-79.7	173.8	70.7	0	0	113.1	L658 L659 N660 P665 F666 L745 T857 C860 L861 F864	L658-M662 HydrophobicContact CD1-CG 3.99Å; L658-M662 HydrophobicContact CD1-SD 3.62Å; L658-M662 HydrophobicContact CD2-SD 4.34Å; L658-M662 HydrophobicContact CG-CG 4.42Å; L658-M662 HydrophobicContact CG-SD 3.58Å; L658-M662 VanDerWaalsContact CG-SD 3.58Å; L658-M662 WeakPolarHBondContact O-CB 3.47Å; L658-M662 VanDerWaalsContact O-CG 3.29Å; L658-M662 WeakPolarHBondContact O-CG 3.14Å; L658-M662 PolarHBondContact O-N 3.32Å; L659-M662 PolarHBondContact O-N 2.86Å; N660-M662 PolarHBondContact O-N 3.31Å; M662-P665 VanDerWaalsContact O-CD 3.29Å; M662-P665 WeakPolarHBondContact O-CD 3.38Å; M662-F666 WeakPolarHBondContact O-CE2 3.32Å; M662-L745 HydrophobicContact CE-CD1 4.4Å; M662-T857 HydrophobicContact CB-CG2 4Å; M662-T857 HydrophobicContact CE-CG2 4.05Å; M662-T857 HydrophobicContact CG-CG2 4.3Å; M662-T857 WeakPolarHBondContact O-CG2 3.32Å; M662-T857 PolarHBondContact O-OG1 3.08Å; M662-C860 HydrophobicContact CE-CB 4.06Å; M662-C860 HydrophobicContact CG-CB 4.04Å; M662-C860 HydrophobicContact SD-CB 3.71Å; M662-L861 HydrophobicContact CE-CD2 3.77Å; M662-L861 HydrophobicContact CE-CG 4.39Å; M662-F864 HydrophobicContact CE-CB 3.99Å; M662-F864 HydrophobicContact CE-CG 4.38Å; M662-F864 HydrophobicContact SD-CB 3.9Å; M662-F864 HydrophobicContact SD-CD2 4.4Å; M662-F864 HydrophobicContact SD-CG 4.24Å
663	T	90.6	Very high	88	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-93.5	-11.1	-175.2	54.8	0	0	0	0	113.8	L659 N660 N661 F666 H738 M741 V742 L745	L659-T663 HydrophobicContact CD1-CG2 4Å; L659-T663 WeakPolarHBondContact O-CB 3.48Å; L659-T663 WeakPolarHBondContact O-CG2 3.38Å; L659-T663 PolarHBondContact O-N 3.48Å; L659-T663 PolarHBondContact O-OG1 3.41Å; N660-T663 PolarHBondContact O-N 3.22Å; N660-T663 PolarHBondContact O-OG1 2.83Å; N661-T663 VanDerWaalsContact C-N 3.26Å; N661-T663 PolarHBondContact O-N 2.76Å; T663-F666 WeakPolarHBondContact O-CD2 3.41Å; T663-F666 PolarHBondContact O-N 3.24Å; T663-H738 VanDerWaalsContact C-ND1 3.31Å; T663-H738 PolarHBondContact O-ND1 2.64Å; T663-H738 PolarHBondContact OG1-CE1 3.13Å; T663-M741 HydrophobicContact CG2-CB 4.15Å; T663-V742 HydrophobicContact CG2-CG2 3.74Å; T663-L745 HydrophobicContact CG2-CD1 3.94Å
664	L	90.3	Very high	88.6	Confident	66 Å²	66	40.1 Å²	40.1	35%	0.346	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-51.2	-42.4	175.2	-75.4	178.6	0	0	0	115.6	N660 N661 F666 R667	N660-L664 WeakPolarHBondContact O-CG 3.36Å; N660-L664 PolarHBondContact O-N 3.13Å; N661-L664 PolarHBondContact O-N 3.38Å; L664-F666 VanDerWaalsContact C-N 3.29Å; L664-F666 PolarHBondContact O-N 3.25Å; L664-R667 WeakPolarHBondContact O-CB 3.49Å; L664-R667 PolarHBondContact O-N 3Å
665	P	90.4	Very high	88.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.1	-38.5	-173.5	-22.2	33.2	0	0	0	113.1	Y591 M662 R667 K668 H850 G853 V854	Y591-P665 HydrophobicContact CE1-CG 4.11Å; Y591-P665 WeakPolarHBondContact OH-CA 3.46Å; M662-P665 VanDerWaalsContact O-CD 3.29Å; M662-P665 WeakPolarHBondContact O-CD 3.38Å; P665-R667 PolarHBondContact O-N 3.27Å; P665-K668 PolarHBondContact O-N 3.47Å; P665-H850 HydrophobicContact CB-CB 4.41Å; P665-G853 VanDerWaalsContact CG-C 3.45Å; P665-V854 HydrophobicContact CB-CG2 3.67Å; P665-V854 HydrophobicContact CG-CG2 4.33Å
666	F	90.9	Very high	88.8	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.9	-15.3	-174.9	-56.7	-76.2	0	0	0	114	M662 T663 L664 K668 L669 L737 M741 I757 V854 T857	M662-F666 WeakPolarHBondContact O-CE2 3.32Å; T663-F666 WeakPolarHBondContact O-CD2 3.41Å; T663-F666 PolarHBondContact O-N 3.24Å; L664-F666 VanDerWaalsContact C-N 3.29Å; L664-F666 PolarHBondContact O-N 3.25Å; F666-K668 PolarHBondContact O-N 2.9Å; F666-K668 VanDerWaalsContact O-N 3.16Å; F666-L669 HydrophobicContact CD1-CD1 3.59Å; F666-L669 HydrophobicContact CE1-CD1 3.84Å; F666-L669 HydrophobicContact CG-CD1 4.34Å; F666-L737 HydrophobicContact CB-CB 3.83Å; F666-M741 HydrophobicContact CD1-CE 4.37Å; F666-M741 HydrophobicContact CD1-CG 4.12Å; F666-M741 HydrophobicContact CD2-CB 4.27Å; F666-M741 HydrophobicContact CD2-CG 4.14Å; F666-M741 HydrophobicContact CE1-CE 3.89Å; F666-M741 HydrophobicContact CE2-CE 4.19Å; F666-M741 HydrophobicContact CG-CG 3.96Å; F666-M741 HydrophobicContact CZ-CE 3.81Å; F666-I757 HydrophobicContact CE1-CG1 3.8Å; F666-I757 HydrophobicContact CZ-CD1 3.93Å; F666-I757 HydrophobicContact CZ-CG1 3.66Å; F666-V854 HydrophobicContact CE1-CG2 4.32Å; F666-V854 HydrophobicContact CZ-CG2 4.24Å; F666-T857 HydrophobicContact CE2-CG2 4.18Å; F666-T857 HydrophobicContact CZ-CG2 4.38Å
667	R	88.8	Confident	88.9	Confident	122 Å²	122	42.1 Å²	42.1	46%	0.46	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.4	-17.7	174.4	-66.1	-178.7	174.5	-164.1	-0.8	114	L664 P665 K735 H738	L664-R667 WeakPolarHBondContact O-CB 3.49Å; L664-R667 PolarHBondContact O-N 3Å; P665-R667 PolarHBondContact O-N 3.27Å; R667-K735 HydrophobicContact CB-CG 4.45Å; R667-H738 HydrophobicContact CG-CB 3.63Å; R667-H738 PolarHBondContact NE-CD2 2.97Å; R667-H738 VanDerWaalsContact NE-CD2 3.32Å; R667-H738 PolarHBondContact NE-CE1 3.01Å; R667-H738 PolarHBondContact NE-ND1 2.94Å; R667-H738 PolarHBondContact NE-NE2 3.09Å; R667-H738 VanDerWaalsContact NE-NE2 3.16Å; R667-H738 PolarHBondContact NH2-NE2 3.44Å
668	K	85.3	Confident	88.9	Confident	117 Å²	117	43.3 Å²	43.3	51%	0.509	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-131.8	14.2	-175.5	-66.6	167.1	171.1	178.5	0	113.9	E590 P665 F666 H850	E590-K668 IonicContact OE1-NZ 2.67Å; E590-K668 PolarHBondContact OE1-NZ 2.9Å; E590-K668 IonicContact OE2-NZ 2.68Å; P665-K668 PolarHBondContact O-N 3.47Å; F666-K668 PolarHBondContact O-N 2.9Å; F666-K668 VanDerWaalsContact O-N 3.16Å; K668-H850 WeakPolarHBondContact CD-CE1 3.29Å; K668-H850 WeakPolarHBondContact CD-NE2 3.4Å; K668-H850 PolarHBondContact NZ-CE1 3.13Å; K668-H850 PolarHBondContact NZ-NE2 2.72Å
669	L	89.1	Confident	88.9	Confident	13 Å²	13	45 Å²	45	7%	0.068	23%	0.231	C	C	.	.			trans	-93.4	152.1	178	-61.3	179.2	0	0	0	111.7	F666 L737 I760 W848 H850 V854	F666-L669 HydrophobicContact CD1-CD1 3.59Å; F666-L669 HydrophobicContact CE1-CD1 3.84Å; F666-L669 HydrophobicContact CG-CD1 4.34Å; L669-L737 HydrophobicContact CB-CD1 3.99Å; L669-L737 WeakPolarHBondContact O-CD1 3.48Å; L669-I760 HydrophobicContact CB-CG2 3.67Å; L669-I760 HydrophobicContact CD1-CG2 3.74Å; L669-I760 HydrophobicContact CG-CG2 4.32Å; L669-W848 HydrophobicContact CD2-CH2 4.37Å; L669-W848 HydrophobicContact CD2-CZ2 3.49Å; L669-W848 VanDerWaalsContact CD2-CZ2 3.49Å; L669-H850 HydrophobicContact CD2-CB 4.03Å; L669-V854 HydrophobicContact CD1-CG2 3.71Å
670	T	88.7	Confident	88.8	Confident	55 Å²	55	44.5 Å²	44.5	34%	0.337	23%	0.229	S	C	.	.			trans	-93.2	139.4	178.2	-60.7	0	0	0	0	110.5	S764 V767	T670-S764 PolarHBondContact N-OG 3.43Å; T670-S764 PolarHBondContact O-OG 2.97Å; T670-V767 HydrophobicContact CG2-CG2 4.27Å
671	Y	89.3	Confident	88.8	Confident	62 Å²	62	41.9 Å²	41.9	24%	0.243	22%	0.216	C	C	.	.			trans	-142.2	158.7	-174.8	66.2	-76.9	0	0	0	112.3	Y673 I676 F736 L737	Y671-Y673 HydrophobicContact CE2-CD2 4.48Å; Y671-I676 HydrophobicContact CD2-CD1 3.86Å; Y671-I676 HydrophobicContact CG-CD1 4.19Å; Y671-F736 HydrophobicContact CD2-CD1 4.08Å; Y671-F736 HydrophobicContact CD2-CE1 4.18Å; Y671-F736 HydrophobicContact CE1-CD1 4.42Å; Y671-F736 AromaticContact CE2-CD1 3.37Å; Y671-F736 HydrophobicContact CE2-CD1 3.37Å; Y671-F736 AromaticContact CE2-CE1 3.69Å; Y671-F736 HydrophobicContact CE2-CE1 3.69Å; Y671-F736 HydrophobicContact CE2-CG 4.33Å; Y671-F736 AromaticContact CZ-CD1 3.58Å; Y671-L737 HydrophobicContact CD1-CD1 3.62Å; Y671-L737 HydrophobicContact CD1-CD2 3.89Å; Y671-L737 HydrophobicContact CD1-CG 3.58Å; Y671-L737 HydrophobicContact CD2-CD2 3.98Å; Y671-L737 HydrophobicContact CE1-CD1 4.43Å; Y671-L737 HydrophobicContact CE1-CG 4.05Å; Y671-L737 HydrophobicContact CG-CD1 4Å; Y671-L737 HydrophobicContact CG-CD2 3.61Å; Y671-L737 HydrophobicContact CG-CG 3.87Å
672	M	87.5	Confident	88.6	Confident	86 Å²	86	46.9 Å²	46.9	42%	0.424	24%	0.239	S	C	.	.			trans	-106	108.6	170.4	-170.1	-176.9	-59.3	0	0	108.6	S674 A675 I676 L763	M672-S674 VanDerWaalsContact C-N 3.29Å; M672-S674 PolarHBondContact O-N 3.1Å; M672-A675 HydrophobicContact CB-CB 4.18Å; M672-A675 HydrophobicContact CG-CB 4.45Å; M672-A675 PolarHBondContact O-N 3.36Å; M672-A675 VanDerWaalsContact O-N 3.13Å; M672-A675 HydrophobicContact SD-CB 4.43Å; M672-I676 PolarHBondContact O-N 3.08Å; M672-L763 HydrophobicContact CB-CD2 3.92Å
673	Y	88.1	Confident	88.4	Confident	32 Å²	32	51.4 Å²	51.4	13%	0.125	26%	0.26	C	S	.	.	H	α-helix	trans	-54.1	-42.7	-174.5	176.4	-97.4	0	0	0	113	Y671 A675 I676 Q677 L720 E721 K724 F736	Y671-Y673 HydrophobicContact CE2-CD2 4.48Å; Y673-A675 PolarHBondContact O-N 2.98Å; Y673-I676 PolarHBondContact O-N 2.88Å; Y673-Q677 HydrophobicContact CE1-CB 4.36Å; Y673-Q677 HydrophobicContact CE1-CG 4.49Å; Y673-Q677 VanDerWaalsContact O-CB 3.3Å; Y673-Q677 WeakPolarHBondContact O-CB 3.41Å; Y673-Q677 PolarHBondContact O-N 3.33Å; Y673-L720 PolarHBondContact OH-O 3.11Å; Y673-E721 PolarHBondContact OH-N 3.27Å; Y673-K724 HydrophobicContact CD2-CD 3.84Å; Y673-K724 HydrophobicContact CD2-CG 4.25Å; Y673-K724 HydrophobicContact CE1-CD 4.27Å; Y673-K724 HydrophobicContact CE2-CB 3.97Å; Y673-K724 HydrophobicContact CE2-CD 3.57Å; Y673-K724 HydrophobicContact CE2-CG 4.05Å; Y673-K724 HydrophobicContact CG-CD 4.32Å; Y673-F736 HydrophobicContact CD2-CE1 4.04Å; Y673-F736 HydrophobicContact CD2-CE2 4.37Å; Y673-F736 AromaticContact CD2-CZ 3.79Å; Y673-F736 HydrophobicContact CD2-CZ 3.79Å; Y673-F736 HydrophobicContact CE2-CE1 4.39Å; Y673-F736 AromaticContact CE2-CE2 4Å; Y673-F736 HydrophobicContact CE2-CE2 4Å; Y673-F736 AromaticContact CE2-CZ 3.68Å; Y673-F736 HydrophobicContact CE2-CZ 3.68Å
674	S	86.8	Confident	88.1	Confident	64 Å²	64	52 Å²	52	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-39.8	179.1	46.2	0	0	0	0	113.4	M672 Q677 T678	M672-S674 VanDerWaalsContact C-N 3.29Å; M672-S674 PolarHBondContact O-N 3.1Å; S674-Q677 PolarHBondContact O-N 2.88Å; S674-T678 PolarHBondContact O-N 3.4Å; S674-T678 PolarHBondContact O-OG1 3.12Å; S674-T678 VanDerWaalsContact O-OG1 3.11Å
675	A	87.2	Confident	87.6	Confident	45 Å²	45	54.9 Å²	54.9	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-40.2	177.6	0	0	0	0	0	111.6	M672 Y673 L679	M672-A675 HydrophobicContact CB-CB 4.18Å; M672-A675 HydrophobicContact CG-CB 4.45Å; M672-A675 PolarHBondContact O-N 3.36Å; M672-A675 VanDerWaalsContact O-N 3.13Å; M672-A675 HydrophobicContact SD-CB 4.43Å; Y673-A675 PolarHBondContact O-N 2.98Å; A675-L679 WeakPolarHBondContact O-CG 3.4Å; A675-L679 PolarHBondContact O-N 2.84Å; A675-L679 VanDerWaalsContact O-N 3.11Å
676	I	89.8	Confident	87.3	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-45.8	173.6	-64.3	-170.1	0	0	0	110.8	Y671 M672 Y673 T678 L679 V680 F736 L737 L740 L756 I760	Y671-I676 HydrophobicContact CD2-CD1 3.86Å; Y671-I676 HydrophobicContact CG-CD1 4.19Å; M672-I676 PolarHBondContact O-N 3.08Å; Y673-I676 PolarHBondContact O-N 2.88Å; I676-T678 PolarHBondContact O-N 3.4Å; I676-L679 PolarHBondContact O-N 3.16Å; I676-V680 HydrophobicContact CG2-CG2 4.01Å; I676-V680 WeakPolarHBondContact O-CB 3.23Å; I676-V680 VanDerWaalsContact O-CG2 3.29Å; I676-V680 WeakPolarHBondContact O-CG2 3.4Å; I676-V680 PolarHBondContact O-N 3.26Å; I676-F736 HydrophobicContact CD1-CE1 4.43Å; I676-F736 HydrophobicContact CG2-CE1 4.32Å; I676-L737 HydrophobicContact CD1-CD2 3.38Å; I676-L740 HydrophobicContact CD1-CD2 4.41Å; I676-L740 HydrophobicContact CG2-CD2 3.44Å; I676-L740 VanDerWaalsContact CG2-CD2 3.44Å; I676-L756 HydrophobicContact CB-CD2 4.34Å; I676-L756 HydrophobicContact CG1-CD2 3.96Å; I676-L756 HydrophobicContact CG2-CD2 4.22Å; I676-I760 HydrophobicContact CD1-CD1 4.08Å; I676-I760 HydrophobicContact CD1-CG1 4.35Å
677	Q	88.6	Confident	87	Confident	41 Å²	41	57.7 Å²	57.7	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-48.2	178.9	-174.5	-173.9	-9.9	0	0	111.4	Y673 S674 T681 D717 L720	Y673-Q677 HydrophobicContact CE1-CB 4.36Å; Y673-Q677 HydrophobicContact CE1-CG 4.49Å; Y673-Q677 VanDerWaalsContact O-CB 3.3Å; Y673-Q677 WeakPolarHBondContact O-CB 3.41Å; Y673-Q677 PolarHBondContact O-N 3.33Å; S674-Q677 PolarHBondContact O-N 2.88Å; Q677-T681 WeakPolarHBondContact O-CB 3.42Å; Q677-T681 WeakPolarHBondContact O-CG2 3.24Å; Q677-T681 PolarHBondContact O-N 2.95Å; Q677-T681 PolarHBondContact O-OG1 3.47Å; Q677-D717 WeakPolarHBondContact CG-OD1 3.29Å; Q677-D717 PolarHBondContact NE2-OD1 2.89Å; Q677-D717 PolarHBondContact NE2-OD2 3.09Å; Q677-L720 HydrophobicContact CG-CD1 4.34Å
678	T	88.1	Confident	86.7	Confident	69 Å²	69	56.2 Å²	56.2	42%	0.423	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-45	176.9	-58.8	0	0	0	0	112.6	S674 I676 T681 Q682	S674-T678 PolarHBondContact O-N 3.4Å; S674-T678 PolarHBondContact O-OG1 3.12Å; S674-T678 VanDerWaalsContact O-OG1 3.11Å; I676-T678 PolarHBondContact O-N 3.4Å; T678-T681 PolarHBondContact O-OG1 3.14Å; T678-Q682 HydrophobicContact CG2-CG 4.44Å; T678-Q682 VanDerWaalsContact O-CB 3.29Å; T678-Q682 WeakPolarHBondContact O-CB 3.19Å; T678-Q682 WeakPolarHBondContact O-CG 3.43Å; T678-Q682 PolarHBondContact O-N 2.9Å
679	L	88.8	Confident	86.6	Confident	34 Å²	34	51.2 Å²	51.2	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-44.7	178.5	-73.2	169.2	0	0	0	112.3	A675 I676 Q682 H683 L752 L756	A675-L679 WeakPolarHBondContact O-CG 3.4Å; A675-L679 PolarHBondContact O-N 2.84Å; A675-L679 VanDerWaalsContact O-N 3.11Å; I676-L679 PolarHBondContact O-N 3.16Å; L679-Q682 PolarHBondContact O-N 3.1Å; L679-H683 WeakPolarHBondContact O-CB 3.23Å; L679-H683 PolarHBondContact O-CD2 3.01Å; L679-H683 VanDerWaalsContact O-CD2 3.29Å; L679-H683 PolarHBondContact O-N 2.96Å; L679-H683 VanDerWaalsContact O-N 3.1Å; L679-L752 HydrophobicContact CB-CD1 4.24Å; L679-L756 HydrophobicContact CB-CD2 4.27Å; L679-L756 HydrophobicContact CD1-CD2 3.87Å
680	V	89.2	Confident	86.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.5	-37.7	-177.1	174.5	0	0	0	0	111.6	I676 I684 F690 M716 L720 L740 L752 L756	I676-V680 HydrophobicContact CG2-CG2 4.01Å; I676-V680 WeakPolarHBondContact O-CB 3.23Å; I676-V680 VanDerWaalsContact O-CG2 3.29Å; I676-V680 WeakPolarHBondContact O-CG2 3.4Å; I676-V680 PolarHBondContact O-N 3.26Å; V680-I684 HydrophobicContact CG1-CD1 3.95Å; V680-I684 HydrophobicContact CG1-CG1 4.48Å; V680-I684 WeakPolarHBondContact O-CB 3.46Å; V680-I684 PolarHBondContact O-N 3.23Å; V680-I684 VanDerWaalsContact O-N 3.14Å; V680-F690 HydrophobicContact CG1-CE2 4.31Å; V680-F690 HydrophobicContact CG1-CZ 4.09Å; V680-M716 HydrophobicContact CG1-CE 3.47Å; V680-M716 VanDerWaalsContact CG1-CE 3.47Å; V680-L720 HydrophobicContact CB-CD1 4.07Å; V680-L720 HydrophobicContact CG1-CD1 3.92Å; V680-L720 HydrophobicContact CG1-CD2 4.25Å; V680-L720 HydrophobicContact CG1-CG 4.48Å; V680-L740 HydrophobicContact CG2-CD1 4.46Å; V680-L752 HydrophobicContact CG2-CD2 4.49Å; V680-L756 HydrophobicContact CG2-CD1 4.14Å
681	T	87.3	Confident	86.3	Confident	33 Å²	33	48.2 Å²	48.2	20%	0.202	26%	0.257	C	S	.	.	H	α-helix	trans	-72.7	-26	174.1	49.9	0	0	0	0	113.9	Q677 T678 M716 D717 L720	Q677-T681 WeakPolarHBondContact O-CB 3.42Å; Q677-T681 WeakPolarHBondContact O-CG2 3.24Å; Q677-T681 PolarHBondContact O-N 2.95Å; Q677-T681 PolarHBondContact O-OG1 3.47Å; T678-T681 PolarHBondContact O-OG1 3.14Å; T681-M716 HydrophobicContact CG2-CB 3.98Å; T681-D717 VanDerWaalsContact CG2-OD1 3.3Å; T681-D717 WeakPolarHBondContact CG2-OD1 3.3Å; T681-L720 HydrophobicContact CG2-CD1 4.5Å
682	Q	86.8	Confident	86.1	Confident	134 Å²	134	48 Å²	48	63%	0.626	26%	0.26	S	S	*	.	H	α-helix	trans	-78.8	-31.2	176.1	-77.3	173.4	-9.4	0	0	113.3	T678 L679	T678-Q682 HydrophobicContact CG2-CG 4.44Å; T678-Q682 VanDerWaalsContact O-CB 3.29Å; T678-Q682 WeakPolarHBondContact O-CB 3.19Å; T678-Q682 WeakPolarHBondContact O-CG 3.43Å; T678-Q682 PolarHBondContact O-N 2.9Å; L679-Q682 PolarHBondContact O-N 3.1Å
683	H	84.9	Confident	86	Confident	97 Å²	97	44.4 Å²	44.4	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-104.7	-13.4	-172.4	-73.8	-73	0	0	0	115.4	L679 L752	L679-H683 WeakPolarHBondContact O-CB 3.23Å; L679-H683 PolarHBondContact O-CD2 3.01Å; L679-H683 VanDerWaalsContact O-CD2 3.29Å; L679-H683 PolarHBondContact O-N 2.96Å; L679-H683 VanDerWaalsContact O-N 3.1Å; H683-L752 HydrophobicContact CB-CD1 4Å; H683-L752 HydrophobicContact CB-CD2 3.94Å; H683-L752 HydrophobicContact CB-CG 4.41Å
684	I	85.1	Confident	85.9	Confident	11 Å²	11	43.3 Å²	43.3	6%	0.056	24%	0.24	C	C	.	.			trans	-111.8	121.9	178.6	-56.6	-172.4	0	0	0	111.2	V680 F690 M716 L744 M747 L752	V680-I684 HydrophobicContact CG1-CD1 3.95Å; V680-I684 HydrophobicContact CG1-CG1 4.48Å; V680-I684 WeakPolarHBondContact O-CB 3.46Å; V680-I684 PolarHBondContact O-N 3.23Å; V680-I684 VanDerWaalsContact O-N 3.14Å; I684-F690 HydrophobicContact CD1-CD2 3.87Å; I684-F690 HydrophobicContact CD1-CE2 4.26Å; I684-F690 HydrophobicContact CG2-CB 4.37Å; I684-M716 HydrophobicContact CB-CE 3.79Å; I684-M716 HydrophobicContact CB-SD 4.32Å; I684-M716 HydrophobicContact CD1-CE 4.04Å; I684-M716 HydrophobicContact CG1-CE 4.4Å; I684-M716 HydrophobicContact CG2-CE 3.86Å; I684-M716 HydrophobicContact CG2-SD 3.85Å; I684-L744 HydrophobicContact CD1-CD2 3.42Å; I684-L744 VanDerWaalsContact CD1-CD2 3.42Å; I684-M747 HydrophobicContact CD1-SD 4.22Å; I684-M747 HydrophobicContact CG2-CE 3.97Å; I684-L752 HydrophobicContact CD1-CD2 4.03Å; I684-L752 HydrophobicContact CG1-CD2 3.9Å
685	T	79.4	Confident	85.6	Confident	127 Å²	127	44.9 Å²	44.9	78%	0.779	24%	0.244	S	C	*	.			trans	-89.3	-39.3	179.8	51.8	0	0	0	0	113.3
686	S	84.4	Confident	85.3	Confident	30 Å²	30	44.1 Å²	44.1	21%	0.21	23%	0.231	C	C	.	.			trans	-96.1	104.2	-177.7	-177	0	0	0	0	112.4	R688 G689 F690	S686-R688 VanDerWaalsContact C-N 3.35Å; S686-G689 PolarHBondContact OG-N 3.19Å; S686-F690 PolarHBondContact O-N 2.97Å
687	W	83.5	Confident	84.1	Confident	32 Å²	32	50 Å²	50	12%	0.121	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-28.7	175.2	73.7	-84.6	0	0	0	113.3	F690 A691 L701 D712 K715 M716	W687-F690 PolarHBondContact O-N 3.11Å; W687-A691 WeakPolarHBondContact O-CB 3.49Å; W687-A691 PolarHBondContact O-N 3.45Å; W687-L701 HydrophobicContact CH2-CD1 3.61Å; W687-L701 HydrophobicContact CH2-CD2 3.55Å; W687-L701 HydrophobicContact CH2-CG 3.49Å; W687-L701 VanDerWaalsContact CH2-CG 3.49Å; W687-L701 HydrophobicContact CZ2-CD1 3.89Å; W687-L701 HydrophobicContact CZ2-CD2 4.01Å; W687-L701 HydrophobicContact CZ2-CG 4.17Å; W687-L701 HydrophobicContact CZ3-CD2 3.97Å; W687-L701 HydrophobicContact CZ3-CG 4.15Å; W687-D712 PolarHBondContact NE1-OD1 3.2Å; W687-K715 HydrophobicContact CB-CB 3.89Å; W687-K715 HydrophobicContact CD2-CB 3.84Å; W687-K715 HydrophobicContact CD2-CD 4.07Å; W687-K715 HydrophobicContact CD2-CG 4.44Å; W687-K715 HydrophobicContact CE3-CB 4.36Å; W687-K715 HydrophobicContact CG-CB 3.58Å; W687-K715 HydrophobicContact CG-CD 4.01Å; W687-K715 HydrophobicContact CG-CG 4.39Å; W687-K715 HydrophobicContact CZ2-CD 4.49Å; W687-M716 VanDerWaalsContact CA-SD 3.56Å; W687-M716 HydrophobicContact CB-CG 3.93Å; W687-M716 HydrophobicContact CB-SD 3.87Å
688	R	82.4	Confident	82.6	Confident	91 Å²	91	55.6 Å²	55.6	34%	0.343	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-54.4	173.5	-71.7	-165.2	-170.9	-155.1	5.5	109.8	E557 S686 F690 A691 D692	E557-R688 IonicContact OE1-NH1 3.94Å; S686-R688 VanDerWaalsContact C-N 3.35Å; R688-F690 PolarHBondContact O-N 3.36Å; R688-F690 VanDerWaalsContact O-N 3.14Å; R688-A691 PolarHBondContact O-N 2.92Å; R688-D692 WeakPolarHBondContact O-CB 3.37Å; R688-D692 PolarHBondContact O-N 2.95Å
689	G	82.9	Confident	81.3	Confident	13 Å²	13	56.5 Å²	56.5	13%	0.134	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-32	179.3	0	0	0	0	0	113.8	S686 A693	S686-G689 PolarHBondContact OG-N 3.19Å; G689-A693 VanDerWaalsContact O-CB 3.26Å; G689-A693 WeakPolarHBondContact O-CB 3.49Å; G689-A693 PolarHBondContact O-N 3.18Å
690	F	86.8	Confident	79.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-73.2	-43.3	174	-175.9	-114.3	0	0	0	113.2	V680 I684 S686 W687 R688 D692 A693 L694 M716 V719 L720 L740 L744 M747	V680-F690 HydrophobicContact CG1-CE2 4.31Å; V680-F690 HydrophobicContact CG1-CZ 4.09Å; I684-F690 HydrophobicContact CD1-CD2 3.87Å; I684-F690 HydrophobicContact CD1-CE2 4.26Å; I684-F690 HydrophobicContact CG2-CB 4.37Å; S686-F690 PolarHBondContact O-N 2.97Å; W687-F690 PolarHBondContact O-N 3.11Å; R688-F690 PolarHBondContact O-N 3.36Å; R688-F690 VanDerWaalsContact O-N 3.14Å; F690-D692 VanDerWaalsContact C-N 3.33Å; F690-A693 PolarHBondContact O-N 3.47Å; F690-L694 HydrophobicContact CD1-CD1 4Å; F690-L694 HydrophobicContact CD2-CD1 4.39Å; F690-L694 HydrophobicContact CE1-CD1 3.59Å; F690-L694 HydrophobicContact CE2-CD1 4.01Å; F690-L694 HydrophobicContact CE2-CG 4.5Å; F690-L694 HydrophobicContact CG-CD1 4.4Å; F690-L694 HydrophobicContact CZ-CD1 3.59Å; F690-L694 WeakPolarHBondContact O-CG 3.42Å; F690-L694 PolarHBondContact O-N 2.83Å; F690-L694 VanDerWaalsContact O-N 3.11Å; F690-M716 HydrophobicContact CB-CE 4Å; F690-M716 HydrophobicContact CB-SD 3.67Å; F690-M716 HydrophobicContact CD1-CE 3.31Å; F690-M716 HydrophobicContact CD1-SD 3.62Å; F690-M716 HydrophobicContact CD2-CE 4.1Å; F690-M716 HydrophobicContact CE1-CE 3.68Å; F690-M716 HydrophobicContact CE1-SD 4.48Å; F690-M716 HydrophobicContact CE2-CE 4.42Å; F690-M716 HydrophobicContact CG-CE 3.54Å; F690-M716 HydrophobicContact CG-SD 3.83Å; F690-M716 HydrophobicContact CZ-CE 4.22Å; F690-V719 HydrophobicContact CD1-CB 4.12Å; F690-V719 HydrophobicContact CD1-CG1 3.62Å; F690-V719 HydrophobicContact CE1-CB 4.26Å; F690-V719 HydrophobicContact CE1-CG1 3.71Å; F690-L720 HydrophobicContact CE1-CD2 3.8Å; F690-L720 HydrophobicContact CE1-CG 3.98Å; F690-L720 HydrophobicContact CZ-CD2 3.66Å; F690-L720 HydrophobicContact CZ-CG 4.32Å; F690-L740 HydrophobicContact CE2-CD1 3.9Å; F690-L740 HydrophobicContact CZ-CD1 3.69Å; F690-L744 HydrophobicContact CD2-CD2 4.25Å; F690-L744 HydrophobicContact CE2-CD2 3.8Å; F690-L744 HydrophobicContact CE2-CG 4.47Å; F690-M747 WeakPolarHBondContact CA-SD 3.46Å; F690-M747 HydrophobicContact CB-CE 4.19Å; F690-M747 HydrophobicContact CB-SD 3.82Å; F690-M747 HydrophobicContact CD2-SD 3.77Å; F690-M747 HydrophobicContact CG-SD 4.3Å
691	A	86.3	Confident	78.2	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-43.2	172.6	0	0	0	0	0	111.4	W687 R688 L694 D695 Y696 V719	W687-A691 WeakPolarHBondContact O-CB 3.49Å; W687-A691 PolarHBondContact O-N 3.45Å; R688-A691 PolarHBondContact O-N 2.92Å; A691-L694 CarbonylContact O-C 3.56Å; A691-L694 PolarHBondContact O-N 2.77Å; A691-D695 PolarHBondContact O-N 3.41Å; A691-Y696 WeakPolarHBondContact O-CB 3.41Å; A691-Y696 PolarHBondContact O-N 3.27Å; A691-V719 HydrophobicContact CB-CG1 4.44Å; A691-V719 HydrophobicContact CB-CG2 4.19Å
692	D	84.3	Confident	76.4	Confident	58 Å²	58	66.3 Å²	66.3	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-40.1	178.7	-65.5	-29.8	0	0	0	112.4	R688 F690 L694 D695 K697	R688-D692 WeakPolarHBondContact O-CB 3.37Å; R688-D692 PolarHBondContact O-N 2.95Å; F690-D692 VanDerWaalsContact C-N 3.33Å; D692-L694 VanDerWaalsContact C-N 3.3Å; D692-L694 PolarHBondContact O-N 3.08Å; D692-D695 WeakPolarHBondContact O-CA 3.31Å; D692-D695 PolarHBondContact O-N 3.23Å; D692-K697 HydrophobicContact CB-CG 3.94Å; D692-K697 WeakPolarHBondContact O-CE 3.37Å; D692-K697 WeakPolarHBondContact OD1-CG 3.48Å
693	A	85.3	Confident	74.9	Confident	10 Å²	10	63.6 Å²	63.6	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-30.1	176.1	0	0	0	0	0	112.7	G689 F690 D695 G743 K746 M747	G689-A693 VanDerWaalsContact O-CB 3.26Å; G689-A693 WeakPolarHBondContact O-CB 3.49Å; G689-A693 PolarHBondContact O-N 3.18Å; F690-A693 PolarHBondContact O-N 3.47Å; A693-D695 PolarHBondContact O-N 3.48Å; A693-G743 WeakPolarHBondContact CB-O 3.43Å; A693-K746 HydrophobicContact CB-CB 3.99Å; A693-K746 HydrophobicContact CB-CD 4.41Å; A693-K746 WeakPolarHBondContact O-CD 3.49Å; A693-K746 WeakPolarHBondContact O-CE 3.41Å; A693-K746 PolarHBondContact O-NZ 3.44Å; A693-M747 HydrophobicContact CB-CG 3.56Å; A693-M747 HydrophobicContact CB-SD 4.32Å
694	L	85.4	Confident	73.6	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.052	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.8	170.6	-66.5	170.1	0	0	0	113.4	F690 A691 D692 Y696 V719 L723 E739	F690-L694 HydrophobicContact CD1-CD1 4Å; F690-L694 HydrophobicContact CD2-CD1 4.39Å; F690-L694 HydrophobicContact CE1-CD1 3.59Å; F690-L694 HydrophobicContact CE2-CD1 4.01Å; F690-L694 HydrophobicContact CE2-CG 4.5Å; F690-L694 HydrophobicContact CG-CD1 4.4Å; F690-L694 HydrophobicContact CZ-CD1 3.59Å; F690-L694 WeakPolarHBondContact O-CG 3.42Å; F690-L694 PolarHBondContact O-N 2.83Å; F690-L694 VanDerWaalsContact O-N 3.11Å; A691-L694 CarbonylContact O-C 3.56Å; A691-L694 PolarHBondContact O-N 2.77Å; D692-L694 VanDerWaalsContact C-N 3.3Å; D692-L694 PolarHBondContact O-N 3.08Å; L694-Y696 VanDerWaalsContact C-N 3.32Å; L694-Y696 HydrophobicContact CB-CD2 3.57Å; L694-Y696 HydrophobicContact CB-CE2 3.7Å; L694-Y696 HydrophobicContact CD1-CD2 4.5Å; L694-Y696 HydrophobicContact CD1-CE2 4.26Å; L694-Y696 PolarHBondContact O-N 2.98Å; L694-V719 HydrophobicContact CD1-CG1 3.81Å; L694-L723 HydrophobicContact CD1-CD1 4.42Å; L694-L723 HydrophobicContact CD1-CD2 3.86Å; L694-L723 HydrophobicContact CD2-CD1 4.08Å; L694-L723 HydrophobicContact CD2-CD2 3.82Å; L694-E739 WeakPolarHBondContact CD2-O 3.36Å
695	D	81.4	Confident	72	Confident	96 Å²	96	61.7 Å²	61.7	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	19.7	179.5	-52.9	-50.8	0	0	0	115.5	A691 D692 A693 K697 K746	A691-D695 PolarHBondContact O-N 3.41Å; D692-D695 WeakPolarHBondContact O-CA 3.31Å; D692-D695 PolarHBondContact O-N 3.23Å; A693-D695 PolarHBondContact O-N 3.48Å; D695-K697 PolarHBondContact O-N 3.48Å; D695-K697 IonicContact OD1-NZ 2.83Å; D695-K746 IonicContact OD1-NZ 2.71Å; D695-K746 PolarHBondContact OD1-NZ 2.88Å; D695-K746 IonicContact OD2-NZ 3.82Å; D695-K746 PolarHBondContact OD2-NZ 3.34Å
696	Y	80.5	Confident	70.7	Confident	29 Å²	29	64.5 Å²	64.5	11%	0.114	32%	0.317	C	S	.	.			trans	-79.4	18	173.5	-65.1	-70.4	0	0	0	114.4	A691 L694 N698 E699 M722 L723 D726	A691-Y696 WeakPolarHBondContact O-CB 3.41Å; A691-Y696 PolarHBondContact O-N 3.27Å; L694-Y696 VanDerWaalsContact C-N 3.32Å; L694-Y696 HydrophobicContact CB-CD2 3.57Å; L694-Y696 HydrophobicContact CB-CE2 3.7Å; L694-Y696 HydrophobicContact CD1-CD2 4.5Å; L694-Y696 HydrophobicContact CD1-CE2 4.26Å; L694-Y696 PolarHBondContact O-N 2.98Å; Y696-N698 PolarHBondContact O-N 2.85Å; Y696-E699 HydrophobicContact CD1-CG 4.44Å; Y696-E699 PolarHBondContact O-N 2.86Å; Y696-M722 HydrophobicContact CD1-CE 3.5Å; Y696-M722 VanDerWaalsContact CD1-CE 3.5Å; Y696-M722 HydrophobicContact CD1-SD 4.46Å; Y696-M722 HydrophobicContact CD2-CE 3.75Å; Y696-M722 HydrophobicContact CE1-CE 3.54Å; Y696-M722 HydrophobicContact CE1-CG 4.48Å; Y696-M722 HydrophobicContact CE1-SD 4.27Å; Y696-M722 HydrophobicContact CE2-CE 3.8Å; Y696-M722 HydrophobicContact CG-CE 3.62Å; Y696-L723 HydrophobicContact CE2-CD1 4.19Å; Y696-L723 WeakPolarHBondContact OH-CA 3.46Å; Y696-D726 WeakPolarHBondContact CE1-OD2 3.21Å; Y696-D726 PolarHBondContact OH-OD2 2.77Å
697	K	65.1	Low	69.2	Low	130 Å²	130	69.7 Å²	69.7	57%	0.565	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-31.9	-170.1	-67.1	170.6	177.5	157.2	0	115.9	D692 D695	D692-K697 HydrophobicContact CB-CG 3.94Å; D692-K697 WeakPolarHBondContact O-CE 3.37Å; D692-K697 WeakPolarHBondContact OD1-CG 3.48Å; D695-K697 PolarHBondContact O-N 3.48Å; D695-K697 IonicContact OD1-NZ 2.83Å
698	N	57.6	Low	67.4	Low	159 Å²	159	72.1 Å²	72.1	85%	0.85	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-2.5	-175.2	-64.7	-11.4	0	0	0	113.4	Y696 P700	Y696-N698 PolarHBondContact O-N 2.85Å; N698-P700 WeakPolarHBondContact O-CD 3.46Å
699	E	60.1	Low	66.1	Low	88 Å²	88	67.9 Å²	67.9	41%	0.411	33%	0.327	S	S	.	.	S	Bend	trans	-78	117.6	177	-82.4	-60.6	155.6	0	0	109.9	Y696 T703 I704	Y696-E699 HydrophobicContact CD1-CG 4.44Å; Y696-E699 PolarHBondContact O-N 2.86Å; E699-T703 WeakPolarHBondContact OE2-CB 3.42Å; E699-T703 VanDerWaalsContact OE2-CG2 3.26Å; E699-T703 WeakPolarHBondContact OE2-CG2 3.02Å; E699-T703 PolarHBondContact OE2-OG1 2.82Å; E699-I704 HydrophobicContact CB-CD1 4.25Å; E699-I704 HydrophobicContact CB-CG1 4.18Å
700	P	58.6	Low	65	Low	75 Å²	75	72.8 Å²	72.8	49%	0.487	35%	0.346	S	S	.	.			trans	-62.9	149.4	-179.7	26.3	-34.2	0	0	0	110.2	N698 Q702 T703	N698-P700 WeakPolarHBondContact O-CD 3.46Å; P700-Q702 PolarHBondContact O-N 3.14Å; P700-T703 PolarHBondContact O-N 3.13Å
701	L	53.8	Low	64.5	Low	67 Å²	67	76.3 Å²	76.3	35%	0.351	37%	0.368	S	S	.	.	H	α-helix	trans	-46.8	-22	173.4	-103.4	160.8	0	0	0	114.6	W687 K705	W687-L701 HydrophobicContact CH2-CD1 3.61Å; W687-L701 HydrophobicContact CH2-CD2 3.55Å; W687-L701 HydrophobicContact CH2-CG 3.49Å; W687-L701 VanDerWaalsContact CH2-CG 3.49Å; W687-L701 HydrophobicContact CZ2-CD1 3.89Å; W687-L701 HydrophobicContact CZ2-CD2 4.01Å; W687-L701 HydrophobicContact CZ2-CG 4.17Å; W687-L701 HydrophobicContact CZ3-CD2 3.97Å; W687-L701 HydrophobicContact CZ3-CG 4.15Å; L701-K705 HydrophobicContact CD2-CD 3.92Å; L701-K705 VanDerWaalsContact CD2-CE 3.43Å; L701-K705 HydrophobicContact CD2-CG 4.21Å; L701-K705 WeakPolarHBondContact O-CB 3.31Å; L701-K705 VanDerWaalsContact O-CG 3.23Å; L701-K705 WeakPolarHBondContact O-CG 3.46Å; L701-K705 PolarHBondContact O-N 3.31Å; L701-K705 VanDerWaalsContact O-N 3.13Å
702	Q	49.1	Very low	63.9	Low	132 Å²	132	79.5 Å²	79.5	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-74.5	-34.5	175.3	-58.4	-80.3	4.4	0	0	113.6	P700	P700-Q702 PolarHBondContact O-N 3.14Å
703	T	55.3	Low	63.6	Low	76 Å²	76	78.9 Å²	78.9	47%	0.466	39%	0.387	S	S	.	.	H	α-helix	trans	-71.4	-46.1	175.9	-43.8	0	0	0	0	110.2	E699 P700	E699-T703 WeakPolarHBondContact OE2-CB 3.42Å; E699-T703 VanDerWaalsContact OE2-CG2 3.26Å; E699-T703 WeakPolarHBondContact OE2-CG2 3.02Å; E699-T703 PolarHBondContact OE2-OG1 2.82Å; P700-T703 PolarHBondContact O-N 3.13Å
704	I	57.8	Low	63.4	Low	11 Å²	11	81.3 Å²	81.3	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-39.2	-178.3	-50.1	-173	0	0	0	111	E699 R706 C718 V719 M722	E699-I704 HydrophobicContact CB-CD1 4.25Å; E699-I704 HydrophobicContact CB-CG1 4.18Å; I704-R706 PolarHBondContact O-N 2.87Å; I704-C718 HydrophobicContact CG2-CB 4.3Å; I704-V719 HydrophobicContact CG2-CG2 3.8Å; I704-M722 HydrophobicContact CB-CE 4.28Å; I704-M722 HydrophobicContact CB-SD 4.19Å; I704-M722 HydrophobicContact CD1-CE 3.97Å; I704-M722 HydrophobicContact CG1-CE 3.75Å; I704-M722 HydrophobicContact CG1-SD 3.88Å; I704-M722 HydrophobicContact CG2-CE 3.91Å; I704-M722 HydrophobicContact CG2-SD 4.19Å
705	K	51.5	Low	63.2	Low	57 Å²	57	82.4 Å²	82.4	25%	0.248	40%	0.403	C	S	.	.			trans	-81.5	80.4	-179.5	-74.4	-176.5	172.9	-176.1	0	113.5	L701 R707 A709	L701-K705 HydrophobicContact CD2-CD 3.92Å; L701-K705 VanDerWaalsContact CD2-CE 3.43Å; L701-K705 HydrophobicContact CD2-CG 4.21Å; L701-K705 WeakPolarHBondContact O-CB 3.31Å; L701-K705 VanDerWaalsContact O-CG 3.23Å; L701-K705 WeakPolarHBondContact O-CG 3.46Å; L701-K705 PolarHBondContact O-N 3.31Å; L701-K705 VanDerWaalsContact O-N 3.13Å; K705-R707 VanDerWaalsContact C-N 3.26Å; K705-R707 WeakPolarHBondContact CB-O 3.4Å; K705-A709 WeakPolarHBondContact CE-O 3.44Å; K705-A709 PolarHBondContact NZ-O 3.05Å
706	R	52	Low	63.3	Low	186 Å²	186	77.9 Å²	77.9	70%	0.702	38%	0.379	S	S	*	.	S	Bend	trans	-66.9	-27.7	158.6	-72.2	-162.6	-173.2	159.5	13.4	113.4	I704 E725	I704-R706 PolarHBondContact O-N 2.87Å; R706-E725 IonicContact CZ-OE1 2.7Å; R706-E725 IonicContact CZ-OE2 2.65Å; R706-E725 IonicContact NH1-OE1 3.62Å; R706-E725 PolarHBondContact NH1-OE1 2.93Å; R706-E725 IonicContact NH1-OE2 3.14Å; R706-E725 PolarHBondContact NH1-OE2 2.95Å; R706-E725 IonicContact NH2-OE2 3.53Å; R706-E725 PolarHBondContact NH2-OE2 2.81Å
707	R	53.4	Low	63.4	Low	139 Å²	139	78.2 Å²	78.2	53%	0.525	38%	0.383	S	S	.	.	S	Bend	trans	-111.7	152.5	170.4	-59.7	-177	-168.1	131.2	16	109.4	K705 A709 E721	K705-R707 VanDerWaalsContact C-N 3.26Å; K705-R707 WeakPolarHBondContact CB-O 3.4Å; R707-A709 PolarHBondContact O-N 2.92Å; R707-E721 IonicContact CZ-OE1 2.68Å; R707-E721 IonicContact CZ-OE2 2.7Å; R707-E721 IonicContact NE-OE2 3.74Å; R707-E721 VanDerWaalsContact NH1-CD 3.26Å; R707-E721 IonicContact NH1-OE1 3.56Å; R707-E721 PolarHBondContact NH1-OE1 3.3Å; R707-E721 IonicContact NH1-OE2 2.79Å; R707-E721 PolarHBondContact NH1-OE2 3.25Å; R707-E721 VanDerWaalsContact NH1-OE2 3.13Å; R707-E721 IonicContact NH2-OE1 3.8Å; R707-E721 PolarHBondContact NH2-OE1 3.16Å; R707-E721 IonicContact NH2-OE2 2.71Å; R707-E721 PolarHBondContact NH2-OE2 3.46Å
708	Y	45.9	Very low	64.2	Low	83 Å²	83	72.5 Å²	72.5	33%	0.325	36%	0.359	S	S	.	.			trans	-65.4	106.8	161.7	-87.1	-77	0	0	0	108.6	R534 K537	R534-Y708 HydrophobicContact CB-CD1 4.3Å; R534-Y708 HydrophobicContact CB-CD2 4.06Å; R534-Y708 HydrophobicContact CB-CE1 4.06Å; R534-Y708 HydrophobicContact CB-CE2 3.76Å; R534-Y708 HydrophobicContact CB-CG 4.28Å; R534-Y708 VanDerWaalsContact CD-CB 3.46Å; R534-Y708 PolarHBondContact NH1-O 3.46Å; R534-Y708 PolarHBondContact O-OH 2.95Å; K537-Y708 VanDerWaalsContact CB-OH 3.25Å; K537-Y708 WeakPolarHBondContact CB-OH 3.47Å; K537-Y708 HydrophobicContact CD-CE1 4.3Å; K537-Y708 HydrophobicContact CD-CE2 4.5Å; K537-Y708 HydrophobicContact CG-CE1 4.37Å; K537-Y708 VanDerWaalsContact CG-OH 3.28Å; K537-Y708 WeakPolarHBondContact CG-OH 3.45Å; K537-Y708 PolarHBondContact N-OH 3.43Å
709	A	55.3	Low	65.6	Low	3 Å²	3	64.9 Å²	64.9	3%	0.025	32%	0.319	C	S	.	.			trans	-100.4	119.2	170.4	0	0	0	0	0	109.4	K705 R707 D714 K715	K705-A709 WeakPolarHBondContact CE-O 3.44Å; K705-A709 PolarHBondContact NZ-O 3.05Å; R707-A709 PolarHBondContact O-N 2.92Å; A709-D714 VanDerWaalsContact CB-C 3.46Å; A709-D714 HydrophobicContact CB-CB 3.37Å; A709-D714 WeakPolarHBondContact CB-O 3.38Å; A709-K715 HydrophobicContact CB-CB 4.37Å; A709-K715 HydrophobicContact CB-CG 3.7Å
710	E	60	Low	66.9	Low	115 Å²	115	60.8 Å²	60.8	54%	0.537	30%	0.299	S	S	.	.			trans	-100.9	-52.1	-178.7	-81.7	169.3	178.6	0	0	110.3	R534 D714 K715	R534-E710 WeakPolarHBondContact CD-OE1 3.49Å; R534-E710 VanDerWaalsContact CZ-CD 3.48Å; R534-E710 IonicContact CZ-OE1 2.67Å; R534-E710 IonicContact CZ-OE2 3.77Å; R534-E710 IonicContact NE-OE1 2.81Å; R534-E710 PolarHBondContact NE-OE1 3.15Å; R534-E710 IonicContact NE-OE2 2.67Å; R534-E710 PolarHBondContact NE-OE2 2.91Å; R534-E710 IonicContact NH2-OE1 3.18Å; R534-E710 IonicContact NH2-OE2 2.87Å; R534-E710 PolarHBondContact NH2-OE2 2.85Å; E710-D714 PolarHBondContact N-OD2 3.04Å; E710-K715 WeakPolarHBondContact O-CE 3.44Å; E710-K715 PolarHBondContact O-NZ 3.43Å
711	T	76.3	Confident	68.2	Low	75 Å²	75	59.2 Å²	59.2	46%	0.46	29%	0.285	S	S	.	.	S	Bend	trans	-74.6	156.1	173.4	70.4	0	0	0	0	110.8	A713 D714 K715	T711-A713 PolarHBondContact O-N 3.11Å; T711-D714 WeakPolarHBondContact CB-OD2 3.16Å; T711-D714 PolarHBondContact N-OD2 2.89Å; T711-D714 WeakPolarHBondContact O-CB 3.29Å; T711-D714 PolarHBondContact O-N 3.34Å; T711-D714 PolarHBondContact OG1-N 3.11Å; T711-D714 PolarHBondContact OG1-OD2 3.29Å; T711-K715 WeakPolarHBondContact O-CE 3.43Å; T711-K715 WeakPolarHBondContact O-CG 3.37Å; T711-K715 PolarHBondContact O-N 2.89Å
712	D	73.4	Confident	69.7	Low	70 Å²	70	57.4 Å²	57.4	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-68.3	-25.5	175.2	-59.6	-63.6	0	0	0	112.5	W687 K715 M716	W687-D712 PolarHBondContact NE1-OD1 3.2Å; D712-K715 PolarHBondContact O-N 3.06Å; D712-K715 WeakPolarHBondContact OD1-CD 3.22Å; D712-K715 WeakPolarHBondContact OD1-CE 3.44Å; D712-K715 IonicContact OD1-NZ 3.5Å; D712-K715 PolarHBondContact OD1-NZ 2.95Å; D712-K715 IonicContact OD2-NZ 2.71Å; D712-M716 WeakPolarHBondContact O-CB 3.5Å; D712-M716 WeakPolarHBondContact O-CG 3.16Å; D712-M716 PolarHBondContact O-N 3.18Å
713	A	78.3	Confident	71.5	Confident	45 Å²	45	51.1 Å²	51.1	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-43.5	168.4	0	0	0	0	0	112.2	T711 K715 M716 D717	T711-A713 PolarHBondContact O-N 3.11Å; A713-K715 PolarHBondContact O-N 2.95Å; A713-M716 WeakPolarHBondContact O-CB 3.35Å; A713-M716 PolarHBondContact O-N 3.25Å; A713-D717 PolarHBondContact O-N 2.92Å
714	D	79.9	Confident	73	Confident	61 Å²	61	50.7 Å²	50.7	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-33.7	173.2	-58.9	-58.9	0	0	0	111.6	A709 E710 T711 C718	A709-D714 VanDerWaalsContact CB-C 3.46Å; A709-D714 HydrophobicContact CB-CB 3.37Å; A709-D714 WeakPolarHBondContact CB-O 3.38Å; E710-D714 PolarHBondContact N-OD2 3.04Å; T711-D714 WeakPolarHBondContact CB-OD2 3.16Å; T711-D714 PolarHBondContact N-OD2 2.89Å; T711-D714 WeakPolarHBondContact O-CB 3.29Å; T711-D714 PolarHBondContact O-N 3.34Å; T711-D714 PolarHBondContact OG1-N 3.11Å; T711-D714 PolarHBondContact OG1-OD2 3.29Å; D714-C718 PolarHBondContact O-N 2.87Å; D714-C718 VanDerWaalsContact O-N 3.09Å; D714-C718 PolarHBondContact O-SG 3.36Å
715	K	81.4	Confident	74.2	Confident	34 Å²	34	54.1 Å²	54.1	15%	0.148	25%	0.254	C	S	.	.	H	α-helix	trans	-73.8	-43.6	-179.4	-62.9	164.6	-145.5	159.9	0	110.3	W687 A709 E710 T711 D712 A713 D717 C718 V719	W687-K715 HydrophobicContact CB-CB 3.89Å; W687-K715 HydrophobicContact CD2-CB 3.84Å; W687-K715 HydrophobicContact CD2-CD 4.07Å; W687-K715 HydrophobicContact CD2-CG 4.44Å; W687-K715 HydrophobicContact CE3-CB 4.36Å; W687-K715 HydrophobicContact CG-CB 3.58Å; W687-K715 HydrophobicContact CG-CD 4.01Å; W687-K715 HydrophobicContact CG-CG 4.39Å; W687-K715 HydrophobicContact CZ2-CD 4.49Å; A709-K715 HydrophobicContact CB-CB 4.37Å; A709-K715 HydrophobicContact CB-CG 3.7Å; E710-K715 WeakPolarHBondContact O-CE 3.44Å; E710-K715 PolarHBondContact O-NZ 3.43Å; T711-K715 WeakPolarHBondContact O-CE 3.43Å; T711-K715 WeakPolarHBondContact O-CG 3.37Å; T711-K715 PolarHBondContact O-N 2.89Å; D712-K715 PolarHBondContact O-N 3.06Å; D712-K715 WeakPolarHBondContact OD1-CD 3.22Å; D712-K715 WeakPolarHBondContact OD1-CE 3.44Å; D712-K715 IonicContact OD1-NZ 3.5Å; D712-K715 PolarHBondContact OD1-NZ 2.95Å; D712-K715 IonicContact OD2-NZ 2.71Å; A713-K715 PolarHBondContact O-N 2.95Å; K715-D717 VanDerWaalsContact C-N 3.31Å; K715-D717 PolarHBondContact O-N 2.85Å; K715-C718 WeakPolarHBondContact O-CB 3.19Å; K715-C718 PolarHBondContact O-N 2.84Å; K715-V719 WeakPolarHBondContact O-CG2 3.36Å; K715-V719 PolarHBondContact O-N 2.99Å
716	M	83.2	Confident	75.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-54.8	-45.5	169.2	-77.7	-63.3	-60.5	0	0	111.7	V680 T681 I684 W687 F690 D712 A713 C718 V719 L720	V680-M716 HydrophobicContact CG1-CE 3.47Å; V680-M716 VanDerWaalsContact CG1-CE 3.47Å; T681-M716 HydrophobicContact CG2-CB 3.98Å; I684-M716 HydrophobicContact CB-CE 3.79Å; I684-M716 HydrophobicContact CB-SD 4.32Å; I684-M716 HydrophobicContact CD1-CE 4.04Å; I684-M716 HydrophobicContact CG1-CE 4.4Å; I684-M716 HydrophobicContact CG2-CE 3.86Å; I684-M716 HydrophobicContact CG2-SD 3.85Å; W687-M716 VanDerWaalsContact CA-SD 3.56Å; W687-M716 HydrophobicContact CB-CG 3.93Å; W687-M716 HydrophobicContact CB-SD 3.87Å; F690-M716 HydrophobicContact CB-CE 4Å; F690-M716 HydrophobicContact CB-SD 3.67Å; F690-M716 HydrophobicContact CD1-CE 3.31Å; F690-M716 HydrophobicContact CD1-SD 3.62Å; F690-M716 HydrophobicContact CD2-CE 4.1Å; F690-M716 HydrophobicContact CE1-CE 3.68Å; F690-M716 HydrophobicContact CE1-SD 4.48Å; F690-M716 HydrophobicContact CE2-CE 4.42Å; F690-M716 HydrophobicContact CG-CE 3.54Å; F690-M716 HydrophobicContact CG-SD 3.83Å; F690-M716 HydrophobicContact CZ-CE 4.22Å; D712-M716 WeakPolarHBondContact O-CB 3.5Å; D712-M716 WeakPolarHBondContact O-CG 3.16Å; D712-M716 PolarHBondContact O-N 3.18Å; A713-M716 WeakPolarHBondContact O-CB 3.35Å; A713-M716 PolarHBondContact O-N 3.25Å; M716-C718 VanDerWaalsContact C-N 3.34Å; M716-C718 PolarHBondContact O-N 3.34Å; M716-V719 PolarHBondContact O-N 2.84Å; M716-L720 WeakPolarHBondContact O-CG 3.27Å; M716-L720 PolarHBondContact O-N 3.32Å
717	D	83.6	Confident	77.1	Confident	36 Å²	36	45.9 Å²	45.9	19%	0.193	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-40.3	176.1	-100.9	-0.3	0	0	0	112.4	Q677 T681 A713 K715 L720 E721	Q677-D717 WeakPolarHBondContact CG-OD1 3.29Å; Q677-D717 PolarHBondContact NE2-OD1 2.89Å; Q677-D717 PolarHBondContact NE2-OD2 3.09Å; T681-D717 VanDerWaalsContact CG2-OD1 3.3Å; T681-D717 WeakPolarHBondContact CG2-OD1 3.3Å; A713-D717 PolarHBondContact O-N 2.92Å; K715-D717 VanDerWaalsContact C-N 3.31Å; K715-D717 PolarHBondContact O-N 2.85Å; D717-L720 PolarHBondContact O-N 2.84Å; D717-E721 WeakPolarHBondContact O-CB 3.37Å; D717-E721 WeakPolarHBondContact O-CG 3.4Å; D717-E721 PolarHBondContact O-N 3.13Å
718	C	82.6	Confident	78.3	Confident	10 Å²	10	45 Å²	45	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-40.1	174.7	-66.2	0	0	0	0	112.2	I704 D714 K715 M716 E721 M722	I704-C718 HydrophobicContact CG2-CB 4.3Å; D714-C718 PolarHBondContact O-N 2.87Å; D714-C718 VanDerWaalsContact O-N 3.09Å; D714-C718 PolarHBondContact O-SG 3.36Å; K715-C718 WeakPolarHBondContact O-CB 3.19Å; K715-C718 PolarHBondContact O-N 2.84Å; M716-C718 VanDerWaalsContact C-N 3.34Å; M716-C718 PolarHBondContact O-N 3.34Å; C718-E721 PolarHBondContact O-N 3.06Å; C718-M722 VanDerWaalsContact O-CB 3.32Å; C718-M722 WeakPolarHBondContact O-CB 3.31Å; C718-M722 PolarHBondContact O-N 2.85Å
719	V	85.9	Confident	79.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-39.3	175.2	178.7	0	0	0	0	111.1	F690 A691 L694 I704 K715 M716 M722 L723	F690-V719 HydrophobicContact CD1-CB 4.12Å; F690-V719 HydrophobicContact CD1-CG1 3.62Å; F690-V719 HydrophobicContact CE1-CB 4.26Å; F690-V719 HydrophobicContact CE1-CG1 3.71Å; A691-V719 HydrophobicContact CB-CG1 4.44Å; A691-V719 HydrophobicContact CB-CG2 4.19Å; L694-V719 HydrophobicContact CD1-CG1 3.81Å; I704-V719 HydrophobicContact CG2-CG2 3.8Å; K715-V719 WeakPolarHBondContact O-CG2 3.36Å; K715-V719 PolarHBondContact O-N 2.99Å; M716-V719 PolarHBondContact O-N 2.84Å; V719-M722 PolarHBondContact O-N 3.09Å; V719-L723 WeakPolarHBondContact O-CB 3.3Å; V719-L723 PolarHBondContact O-N 2.76Å
720	L	87.4	Confident	79.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.5	-39.1	176	-73.9	171.6	0	0	0	113.2	Y673 Q677 V680 T681 F690 M716 D717 K724 F736 L740	Y673-L720 PolarHBondContact OH-O 3.11Å; Q677-L720 HydrophobicContact CG-CD1 4.34Å; V680-L720 HydrophobicContact CB-CD1 4.07Å; V680-L720 HydrophobicContact CG1-CD1 3.92Å; V680-L720 HydrophobicContact CG1-CD2 4.25Å; V680-L720 HydrophobicContact CG1-CG 4.48Å; T681-L720 HydrophobicContact CG2-CD1 4.5Å; F690-L720 HydrophobicContact CE1-CD2 3.8Å; F690-L720 HydrophobicContact CE1-CG 3.98Å; F690-L720 HydrophobicContact CZ-CD2 3.66Å; F690-L720 HydrophobicContact CZ-CG 4.32Å; M716-L720 WeakPolarHBondContact O-CG 3.27Å; M716-L720 PolarHBondContact O-N 3.32Å; D717-L720 PolarHBondContact O-N 2.84Å; L720-K724 VanDerWaalsContact O-CB 3.22Å; L720-K724 WeakPolarHBondContact O-CB 3.37Å; L720-K724 PolarHBondContact O-N 3.45Å; L720-F736 HydrophobicContact CD2-CZ 4.34Å; L720-L740 HydrophobicContact CD2-CD1 4.12Å
721	E	86	Confident	79.8	Confident	42 Å²	42	59.6 Å²	59.6	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-42.3	172.9	-77.4	-170	166.9	0	0	111.3	Y673 R707 D717 C718 K724 E725	Y673-E721 PolarHBondContact OH-N 3.27Å; R707-E721 IonicContact CZ-OE1 2.68Å; R707-E721 IonicContact CZ-OE2 2.7Å; R707-E721 IonicContact NE-OE2 3.74Å; R707-E721 VanDerWaalsContact NH1-CD 3.26Å; R707-E721 IonicContact NH1-OE1 3.56Å; R707-E721 PolarHBondContact NH1-OE1 3.3Å; R707-E721 IonicContact NH1-OE2 2.79Å; R707-E721 PolarHBondContact NH1-OE2 3.25Å; R707-E721 VanDerWaalsContact NH1-OE2 3.13Å; R707-E721 IonicContact NH2-OE1 3.8Å; R707-E721 PolarHBondContact NH2-OE1 3.16Å; R707-E721 IonicContact NH2-OE2 2.71Å; R707-E721 PolarHBondContact NH2-OE2 3.46Å; D717-E721 WeakPolarHBondContact O-CB 3.37Å; D717-E721 WeakPolarHBondContact O-CG 3.4Å; D717-E721 PolarHBondContact O-N 3.13Å; C718-E721 PolarHBondContact O-N 3.06Å; E721-K724 WeakPolarHBondContact O-CB 3.01Å; E721-K724 PolarHBondContact O-N 3.21Å; E721-E725 WeakPolarHBondContact O-CG 3.39Å; E721-E725 PolarHBondContact O-N 2.88Å
722	M	85.2	Confident	79.3	Confident	29 Å²	29	57.7 Å²	57.7	14%	0.143	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-50.8	176.1	-174.3	175.5	66.6	0	0	111.9	Y696 I704 C718 V719 K724 E725 D726	Y696-M722 HydrophobicContact CD1-CE 3.5Å; Y696-M722 VanDerWaalsContact CD1-CE 3.5Å; Y696-M722 HydrophobicContact CD1-SD 4.46Å; Y696-M722 HydrophobicContact CD2-CE 3.75Å; Y696-M722 HydrophobicContact CE1-CE 3.54Å; Y696-M722 HydrophobicContact CE1-CG 4.48Å; Y696-M722 HydrophobicContact CE1-SD 4.27Å; Y696-M722 HydrophobicContact CE2-CE 3.8Å; Y696-M722 HydrophobicContact CG-CE 3.62Å; I704-M722 HydrophobicContact CB-CE 4.28Å; I704-M722 HydrophobicContact CB-SD 4.19Å; I704-M722 HydrophobicContact CD1-CE 3.97Å; I704-M722 HydrophobicContact CG1-CE 3.75Å; I704-M722 HydrophobicContact CG1-SD 3.88Å; I704-M722 HydrophobicContact CG2-CE 3.91Å; I704-M722 HydrophobicContact CG2-SD 4.19Å; C718-M722 VanDerWaalsContact O-CB 3.32Å; C718-M722 WeakPolarHBondContact O-CB 3.31Å; C718-M722 PolarHBondContact O-N 2.85Å; V719-M722 PolarHBondContact O-N 3.09Å; M722-K724 PolarHBondContact O-N 3.18Å; M722-E725 PolarHBondContact O-N 3.2Å; M722-D726 PolarHBondContact O-N 3.29Å
723	L	87.1	Confident	79.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-40.4	176.7	-178.1	68.9	0	0	0	112	L694 Y696 V719 C727 F736 E739 L740	L694-L723 HydrophobicContact CD1-CD1 4.42Å; L694-L723 HydrophobicContact CD1-CD2 3.86Å; L694-L723 HydrophobicContact CD2-CD1 4.08Å; L694-L723 HydrophobicContact CD2-CD2 3.82Å; Y696-L723 HydrophobicContact CE2-CD1 4.19Å; Y696-L723 WeakPolarHBondContact OH-CA 3.46Å; V719-L723 WeakPolarHBondContact O-CB 3.3Å; V719-L723 PolarHBondContact O-N 2.76Å; L723-C727 VanDerWaalsContact O-CB 3.3Å; L723-C727 WeakPolarHBondContact O-CB 3.41Å; L723-C727 PolarHBondContact O-N 2.8Å; L723-C727 VanDerWaalsContact O-N 3.14Å; L723-C727 PolarHBondContact O-SG 2.92Å; L723-F736 HydrophobicContact CB-CE2 4.4Å; L723-F736 HydrophobicContact CD2-CD2 4.06Å; L723-F736 HydrophobicContact CD2-CE2 3.96Å; L723-F736 HydrophobicContact CG-CD2 4.03Å; L723-F736 HydrophobicContact CG-CE2 4.22Å; L723-E739 HydrophobicContact CD1-CB 3.82Å; L723-E739 HydrophobicContact CD1-CG 4.37Å; L723-E739 HydrophobicContact CD2-CB 4.49Å; L723-L740 HydrophobicContact CD2-CB 4.22Å
724	K	86.8	Confident	79.2	Confident	66 Å²	66	67.7 Å²	67.7	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-48.8	175.2	-178.2	-162.2	-162.9	165.2	0	110.9	Y673 L720 E721 M722 C727 H728 F736	Y673-K724 HydrophobicContact CD2-CD 3.84Å; Y673-K724 HydrophobicContact CD2-CG 4.25Å; Y673-K724 HydrophobicContact CE1-CD 4.27Å; Y673-K724 HydrophobicContact CE2-CB 3.97Å; Y673-K724 HydrophobicContact CE2-CD 3.57Å; Y673-K724 HydrophobicContact CE2-CG 4.05Å; Y673-K724 HydrophobicContact CG-CD 4.32Å; L720-K724 VanDerWaalsContact O-CB 3.22Å; L720-K724 WeakPolarHBondContact O-CB 3.37Å; L720-K724 PolarHBondContact O-N 3.45Å; E721-K724 WeakPolarHBondContact O-CB 3.01Å; E721-K724 PolarHBondContact O-N 3.21Å; M722-K724 PolarHBondContact O-N 3.18Å; K724-C727 PolarHBondContact O-N 3.28Å; K724-H728 PolarHBondContact O-N 3.26Å; K724-H728 VanDerWaalsContact O-N 3.13Å; K724-H728 PolarHBondContact O-ND1 3.24Å; K724-F736 HydrophobicContact CB-CD2 3.94Å; K724-F736 HydrophobicContact CB-CE2 3.97Å
725	E	83.3	Confident	79.6	Confident	83 Å²	83	70 Å²	70	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-43.5	-179	-74	-170.4	-163.2	0	0	112.7	R706 E721 M722 C727 H728 S729	R706-E725 IonicContact CZ-OE1 2.7Å; R706-E725 IonicContact CZ-OE2 2.65Å; R706-E725 IonicContact NH1-OE1 3.62Å; R706-E725 PolarHBondContact NH1-OE1 2.93Å; R706-E725 IonicContact NH1-OE2 3.14Å; R706-E725 PolarHBondContact NH1-OE2 2.95Å; R706-E725 IonicContact NH2-OE2 3.53Å; R706-E725 PolarHBondContact NH2-OE2 2.81Å; E721-E725 WeakPolarHBondContact O-CG 3.39Å; E721-E725 PolarHBondContact O-N 2.88Å; M722-E725 PolarHBondContact O-N 3.2Å; E725-C727 VanDerWaalsContact C-N 3.27Å; E725-C727 PolarHBondContact O-N 2.86Å; E725-H728 CarbonylContact O-C 3.57Å; E725-H728 PolarHBondContact O-N 3.2Å; E725-S729 PolarHBondContact O-N 3.21Å
726	D	81.6	Confident	80	Confident	61 Å²	61	68.7 Å²	68.7	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-56.4	-44.3	175.1	-71.4	-20.4	0	0	0	111.1	Y696 M722 H728 S729 S732	Y696-D726 WeakPolarHBondContact CE1-OD2 3.21Å; Y696-D726 PolarHBondContact OH-OD2 2.77Å; M722-D726 PolarHBondContact O-N 3.29Å; D726-H728 VanDerWaalsContact C-N 3.26Å; D726-H728 PolarHBondContact O-N 2.72Å; D726-S729 PolarHBondContact O-N 3.25Å; D726-S729 PolarHBondContact O-OG 2.8Å; D726-S732 VanDerWaalsContact O-CB 3.29Å; D726-S732 WeakPolarHBondContact O-CB 3.4Å; D726-S732 PolarHBondContact O-OG 3.08Å
727	C	82.9	Confident	80.3	Confident	9 Å²	9	68.8 Å²	68.8	6%	0.061	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.1	177.1	-67.1	0	0	0	0	115.2	L723 K724 E725 F736	L723-C727 VanDerWaalsContact O-CB 3.3Å; L723-C727 WeakPolarHBondContact O-CB 3.41Å; L723-C727 PolarHBondContact O-N 2.8Å; L723-C727 VanDerWaalsContact O-N 3.14Å; L723-C727 PolarHBondContact O-SG 2.92Å; K724-C727 PolarHBondContact O-N 3.28Å; E725-C727 VanDerWaalsContact C-N 3.27Å; E725-C727 PolarHBondContact O-N 2.86Å; C727-F736 HydrophobicContact CB-CB 4.05Å
728	H	77.8	Confident	80.8	Confident	121 Å²	121	67.5 Å²	67.5	56%	0.56	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-2.3	171.9	-68.3	91.2	0	0	0	112.8	K724 E725 D726	K724-H728 PolarHBondContact O-N 3.26Å; K724-H728 VanDerWaalsContact O-N 3.13Å; K724-H728 PolarHBondContact O-ND1 3.24Å; E725-H728 CarbonylContact O-C 3.57Å; E725-H728 PolarHBondContact O-N 3.2Å; D726-H728 VanDerWaalsContact C-N 3.26Å; D726-H728 PolarHBondContact O-N 2.72Å
729	S	77.3	Confident	81.2	Confident	53 Å²	53	68.5 Å²	68.5	37%	0.371	31%	0.307	S	S	.	.	S	Bend	trans	-71.1	135.2	171.5	74.7	0	0	0	0	110.7	E725 D726 R731 S732	E725-S729 PolarHBondContact O-N 3.21Å; D726-S729 PolarHBondContact O-N 3.25Å; D726-S729 PolarHBondContact O-OG 2.8Å; S729-R731 PolarHBondContact O-N 2.99Å; S729-S732 PolarHBondContact O-N 2.86Å
730	E	56.4	Low	81.5	Confident	207 Å²	207	68.5 Å²	68.5	97%	0.967	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16	-178	-62	175.3	162.5	0	0	113.8
731	R	59.1	Low	81.7	Confident	248 Å²	248	68.5 Å²	68.5	94%	0.936	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-17.4	-179.4	-63.6	-177	179.4	-175.4	-1	113.7	S729	S729-R731 PolarHBondContact O-N 2.99Å
732	S	65.8	Low	82	Confident	34 Å²	34	67.7 Å²	67.7	24%	0.238	31%	0.305	C	S	.	.			trans	-101.9	135.2	-175	103.1	0	0	0	0	112.4	D726 S729 K734	D726-S732 VanDerWaalsContact O-CB 3.29Å; D726-S732 WeakPolarHBondContact O-CB 3.4Å; D726-S732 PolarHBondContact O-OG 3.08Å; S729-S732 PolarHBondContact O-N 2.86Å; S732-K734 PolarHBondContact OG-N 3.47Å
733	R	70.1	Confident	82.2	Confident	247 Å²	247	66.3 Å²	66.3	93%	0.932	30%	0.299	S	S	*	.			trans	-86.1	3.7	168.4	-67.1	-177.6	175.8	177.4	-1.2	112.3
734	K	80.3	Confident	82.5	Confident	79 Å²	79	66.2 Å²	66.2	34%	0.343	30%	0.298	S	S	.	.			trans	-69.6	158.4	180	-68.4	-171.6	163.8	-132.9	0	110.3	S732 E739	S732-K734 PolarHBondContact OG-N 3.47Å; K734-E739 HydrophobicContact CB-CG 3.84Å; K734-E739 WeakPolarHBondContact CB-OE1 3.47Å; K734-E739 HydrophobicContact CD-CG 4.02Å; K734-E739 VanDerWaalsContact CD-OE2 3.27Å; K734-E739 WeakPolarHBondContact CD-OE2 3.25Å; K734-E739 WeakPolarHBondContact CE-OE2 3.16Å; K734-E739 HydrophobicContact CG-CG 4.18Å; K734-E739 WeakPolarHBondContact CG-OE1 3.29Å; K734-E739 IonicContact NZ-OE2 3.6Å; K734-E739 PolarHBondContact NZ-OE2 3.35Å
735	K	87.5	Confident	82.6	Confident	108 Å²	108	63.2 Å²	63.2	47%	0.47	29%	0.285	S	S	.	.			trans	-135.6	125.8	174.8	-66	-63.8	172	-161.7	0	109.2	R667 L737 H738 E739	R667-K735 HydrophobicContact CB-CG 4.45Å; K735-L737 PolarHBondContact O-N 2.7Å; K735-L737 VanDerWaalsContact O-N 3.14Å; K735-H738 HydrophobicContact CB-CB 4.26Å; K735-H738 WeakPolarHBondContact O-CA 3.4Å; K735-H738 VanDerWaalsContact O-CB 3.31Å; K735-H738 WeakPolarHBondContact O-CB 3.32Å; K735-H738 PolarHBondContact O-N 3.25Å; K735-E739 PolarHBondContact O-N 3.06Å; K735-E739 VanDerWaalsContact O-N 3.12Å
736	F	90.7	Very high	82.9	Confident	7 Å²	7	61 Å²	61	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-45.8	-52.1	-168.2	175.9	-101.6	0	0	0	114.2	Y671 Y673 I676 L720 L723 K724 C727 H738 L740	Y671-F736 HydrophobicContact CD2-CD1 4.08Å; Y671-F736 HydrophobicContact CD2-CE1 4.18Å; Y671-F736 HydrophobicContact CE1-CD1 4.42Å; Y671-F736 AromaticContact CE2-CD1 3.37Å; Y671-F736 HydrophobicContact CE2-CD1 3.37Å; Y671-F736 AromaticContact CE2-CE1 3.69Å; Y671-F736 HydrophobicContact CE2-CE1 3.69Å; Y671-F736 HydrophobicContact CE2-CG 4.33Å; Y671-F736 AromaticContact CZ-CD1 3.58Å; Y673-F736 HydrophobicContact CD2-CE1 4.04Å; Y673-F736 HydrophobicContact CD2-CE2 4.37Å; Y673-F736 AromaticContact CD2-CZ 3.79Å; Y673-F736 HydrophobicContact CD2-CZ 3.79Å; Y673-F736 HydrophobicContact CE2-CE1 4.39Å; Y673-F736 AromaticContact CE2-CE2 4Å; Y673-F736 HydrophobicContact CE2-CE2 4Å; Y673-F736 AromaticContact CE2-CZ 3.68Å; Y673-F736 HydrophobicContact CE2-CZ 3.68Å; I676-F736 HydrophobicContact CD1-CE1 4.43Å; I676-F736 HydrophobicContact CG2-CE1 4.32Å; L720-F736 HydrophobicContact CD2-CZ 4.34Å; L723-F736 HydrophobicContact CB-CE2 4.4Å; L723-F736 HydrophobicContact CD2-CD2 4.06Å; L723-F736 HydrophobicContact CD2-CE2 3.96Å; L723-F736 HydrophobicContact CG-CD2 4.03Å; L723-F736 HydrophobicContact CG-CE2 4.22Å; K724-F736 HydrophobicContact CB-CD2 3.94Å; K724-F736 HydrophobicContact CB-CE2 3.97Å; C727-F736 HydrophobicContact CB-CB 4.05Å; F736-H738 VanDerWaalsContact C-N 3.33Å; F736-H738 PolarHBondContact O-N 3.04Å; F736-L740 HydrophobicContact CE1-CD2 4.15Å; F736-L740 HydrophobicContact CZ-CD2 4.34Å; F736-L740 WeakPolarHBondContact O-CB 3.42Å; F736-L740 PolarHBondContact O-N 3.09Å
737	L	90.1	Very high	83.2	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-34	178.4	-63.2	-178.6	0	0	0	113.6	F666 L669 Y671 I676 K735 M741 I760	F666-L737 HydrophobicContact CB-CB 3.83Å; L669-L737 HydrophobicContact CB-CD1 3.99Å; L669-L737 WeakPolarHBondContact O-CD1 3.48Å; Y671-L737 HydrophobicContact CD1-CD1 3.62Å; Y671-L737 HydrophobicContact CD1-CD2 3.89Å; Y671-L737 HydrophobicContact CD1-CG 3.58Å; Y671-L737 HydrophobicContact CD2-CD2 3.98Å; Y671-L737 HydrophobicContact CE1-CD1 4.43Å; Y671-L737 HydrophobicContact CE1-CG 4.05Å; Y671-L737 HydrophobicContact CG-CD1 4Å; Y671-L737 HydrophobicContact CG-CD2 3.61Å; Y671-L737 HydrophobicContact CG-CG 3.87Å; I676-L737 HydrophobicContact CD1-CD2 3.38Å; K735-L737 PolarHBondContact O-N 2.7Å; K735-L737 VanDerWaalsContact O-N 3.14Å; L737-M741 WeakPolarHBondContact O-CB 3.49Å; L737-M741 WeakPolarHBondContact O-CG 3.35Å; L737-M741 PolarHBondContact O-N 3.31Å; L737-I760 HydrophobicContact CD1-CD1 4.38Å; L737-I760 HydrophobicContact CD1-CG2 4.21Å; L737-I760 HydrophobicContact CD2-CD1 3.86Å
738	H	92.4	Very high	83.4	Confident	9 Å²	9	61.2 Å²	61.2	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-50.8	179.9	179.2	67	0	0	0	110.6	T663 R667 K735 F736 M741 V742	T663-H738 VanDerWaalsContact C-ND1 3.31Å; T663-H738 PolarHBondContact O-ND1 2.64Å; T663-H738 PolarHBondContact OG1-CE1 3.13Å; R667-H738 HydrophobicContact CG-CB 3.63Å; R667-H738 PolarHBondContact NE-CD2 2.97Å; R667-H738 VanDerWaalsContact NE-CD2 3.32Å; R667-H738 PolarHBondContact NE-CE1 3.01Å; R667-H738 PolarHBondContact NE-ND1 2.94Å; R667-H738 PolarHBondContact NE-NE2 3.09Å; R667-H738 VanDerWaalsContact NE-NE2 3.16Å; R667-H738 PolarHBondContact NH2-NE2 3.44Å; K735-H738 HydrophobicContact CB-CB 4.26Å; K735-H738 WeakPolarHBondContact O-CA 3.4Å; K735-H738 VanDerWaalsContact O-CB 3.31Å; K735-H738 WeakPolarHBondContact O-CB 3.32Å; K735-H738 PolarHBondContact O-N 3.25Å; F736-H738 VanDerWaalsContact C-N 3.33Å; F736-H738 PolarHBondContact O-N 3.04Å; H738-M741 PolarHBondContact O-N 2.9Å; H738-V742 WeakPolarHBondContact O-CG2 3.45Å; H738-V742 PolarHBondContact O-N 3.32Å
739	E	91.4	Very high	83.9	Confident	30 Å²	30	57.4 Å²	57.4	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-43.4	177.1	-48.5	-59.6	127.1	0	0	111.6	L694 L723 K734 K735 M741 V742 G743	L694-E739 WeakPolarHBondContact CD2-O 3.36Å; L723-E739 HydrophobicContact CD1-CB 3.82Å; L723-E739 HydrophobicContact CD1-CG 4.37Å; L723-E739 HydrophobicContact CD2-CB 4.49Å; K734-E739 HydrophobicContact CB-CG 3.84Å; K734-E739 WeakPolarHBondContact CB-OE1 3.47Å; K734-E739 HydrophobicContact CD-CG 4.02Å; K734-E739 VanDerWaalsContact CD-OE2 3.27Å; K734-E739 WeakPolarHBondContact CD-OE2 3.25Å; K734-E739 WeakPolarHBondContact CE-OE2 3.16Å; K734-E739 HydrophobicContact CG-CG 4.18Å; K734-E739 WeakPolarHBondContact CG-OE1 3.29Å; K734-E739 IonicContact NZ-OE2 3.6Å; K734-E739 PolarHBondContact NZ-OE2 3.35Å; K735-E739 PolarHBondContact O-N 3.06Å; K735-E739 VanDerWaalsContact O-N 3.12Å; E739-M741 PolarHBondContact O-N 3.21Å; E739-V742 WeakPolarHBondContact O-CB 3.43Å; E739-V742 PolarHBondContact O-N 3.33Å; E739-G743 PolarHBondContact O-N 3.29Å
740	L	92.5	Very high	84.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-49.8	177.1	176.8	65.7	0	0	0	111.3	I676 V680 F690 L720 L723 F736 V742 G743 L744	I676-L740 HydrophobicContact CD1-CD2 4.41Å; I676-L740 HydrophobicContact CG2-CD2 3.44Å; I676-L740 VanDerWaalsContact CG2-CD2 3.44Å; V680-L740 HydrophobicContact CG2-CD1 4.46Å; F690-L740 HydrophobicContact CE2-CD1 3.9Å; F690-L740 HydrophobicContact CZ-CD1 3.69Å; L720-L740 HydrophobicContact CD2-CD1 4.12Å; L723-L740 HydrophobicContact CD2-CB 4.22Å; F736-L740 HydrophobicContact CE1-CD2 4.15Å; F736-L740 HydrophobicContact CZ-CD2 4.34Å; F736-L740 WeakPolarHBondContact O-CB 3.42Å; F736-L740 PolarHBondContact O-N 3.09Å; L740-V742 VanDerWaalsContact C-N 3.31Å; L740-V742 PolarHBondContact O-N 2.98Å; L740-G743 PolarHBondContact O-N 3.1Å; L740-G743 VanDerWaalsContact O-N 3.15Å; L740-L744 HydrophobicContact CD1-CD1 4.03Å; L740-L744 HydrophobicContact CD1-CD2 4.47Å; L740-L744 HydrophobicContact CD1-CG 4.06Å; L740-L744 HydrophobicContact CG-CD1 3.97Å; L740-L744 HydrophobicContact CG-CG 4.34Å; L740-L744 VanDerWaalsContact O-CG 3.29Å; L740-L744 WeakPolarHBondContact O-CG 3.41Å; L740-L744 PolarHBondContact O-N 3.35Å
741	M	92.6	Very high	85.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-31	-178	-63.4	-64.7	-80.5	0	0	112	T663 F666 L737 H738 E739 L744 L745 V753 L756 I757	T663-M741 HydrophobicContact CG2-CB 4.15Å; F666-M741 HydrophobicContact CD1-CE 4.37Å; F666-M741 HydrophobicContact CD1-CG 4.12Å; F666-M741 HydrophobicContact CD2-CB 4.27Å; F666-M741 HydrophobicContact CD2-CG 4.14Å; F666-M741 HydrophobicContact CE1-CE 3.89Å; F666-M741 HydrophobicContact CE2-CE 4.19Å; F666-M741 HydrophobicContact CG-CG 3.96Å; F666-M741 HydrophobicContact CZ-CE 3.81Å; L737-M741 WeakPolarHBondContact O-CB 3.49Å; L737-M741 WeakPolarHBondContact O-CG 3.35Å; L737-M741 PolarHBondContact O-N 3.31Å; H738-M741 PolarHBondContact O-N 2.9Å; E739-M741 PolarHBondContact O-N 3.21Å; M741-L744 HydrophobicContact SD-CD1 4.34Å; M741-L745 WeakPolarHBondContact O-CB 3.48Å; M741-L745 WeakPolarHBondContact O-CD1 3.4Å; M741-L745 VanDerWaalsContact O-CG 3.29Å; M741-L745 WeakPolarHBondContact O-CG 3.37Å; M741-L745 PolarHBondContact O-N 2.94Å; M741-L745 VanDerWaalsContact O-N 3.14Å; M741-V753 HydrophobicContact CE-CB 4.34Å; M741-V753 HydrophobicContact CE-CG1 3.69Å; M741-V753 HydrophobicContact CE-CG2 4.46Å; M741-L756 HydrophobicContact SD-CB 4.43Å; M741-I757 HydrophobicContact CE-CD1 3.79Å; M741-I757 HydrophobicContact CE-CG1 3.42Å; M741-I757 VanDerWaalsContact CE-CG1 3.42Å
742	V	91.8	Very high	87.4	Confident	25 Å²	25	39.8 Å²	39.8	15%	0.152	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-48.7	168.1	168.5	0	0	0	0	111	L659 T663 H738 E739 L740 L745 K746	L659-V742 HydrophobicContact CD2-CG1 4.4Å; T663-V742 HydrophobicContact CG2-CG2 3.74Å; H738-V742 WeakPolarHBondContact O-CG2 3.45Å; H738-V742 PolarHBondContact O-N 3.32Å; E739-V742 WeakPolarHBondContact O-CB 3.43Å; E739-V742 PolarHBondContact O-N 3.33Å; L740-V742 VanDerWaalsContact C-N 3.31Å; L740-V742 PolarHBondContact O-N 2.98Å; V742-L745 PolarHBondContact O-N 3.37Å; V742-K746 HydrophobicContact CG1-CD 4.11Å; V742-K746 WeakPolarHBondContact O-CB 3.4Å; V742-K746 WeakPolarHBondContact O-CG 3.36Å; V742-K746 PolarHBondContact O-N 2.9Å
743	G	90.1	Very high	88.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-47.3	179.3	0	0	0	0	0	112.9	A693 E739 L740 L745 K746 M747	A693-G743 WeakPolarHBondContact CB-O 3.43Å; E739-G743 PolarHBondContact O-N 3.29Å; L740-G743 PolarHBondContact O-N 3.1Å; L740-G743 VanDerWaalsContact O-N 3.15Å; G743-L745 PolarHBondContact O-N 3.23Å; G743-K746 PolarHBondContact O-N 3.02Å; G743-M747 WeakPolarHBondContact O-CG 3.5Å; G743-M747 PolarHBondContact O-N 2.69Å
744	L	91.4	Very high	89.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-39.9	179.4	-64.3	178	0	0	0	112.8	I684 F690 L740 M741 M747 N749 L752 V753 L756	I684-L744 HydrophobicContact CD1-CD2 3.42Å; I684-L744 VanDerWaalsContact CD1-CD2 3.42Å; F690-L744 HydrophobicContact CD2-CD2 4.25Å; F690-L744 HydrophobicContact CE2-CD2 3.8Å; F690-L744 HydrophobicContact CE2-CG 4.47Å; L740-L744 HydrophobicContact CD1-CD1 4.03Å; L740-L744 HydrophobicContact CD1-CD2 4.47Å; L740-L744 HydrophobicContact CD1-CG 4.06Å; L740-L744 HydrophobicContact CG-CD1 3.97Å; L740-L744 HydrophobicContact CG-CG 4.34Å; L740-L744 VanDerWaalsContact O-CG 3.29Å; L740-L744 WeakPolarHBondContact O-CG 3.41Å; L740-L744 PolarHBondContact O-N 3.35Å; M741-L744 HydrophobicContact SD-CD1 4.34Å; L744-M747 PolarHBondContact O-N 2.78Å; L744-N749 WeakPolarHBondContact O-CB 3.4Å; L744-N749 PolarHBondContact O-N 2.72Å; L744-N749 VanDerWaalsContact O-N 3.1Å; L744-L752 HydrophobicContact CD2-CD2 4.02Å; L744-V753 HydrophobicContact CB-CG2 3.5Å; L744-V753 VanDerWaalsContact CB-CG2 3.5Å; L744-V753 HydrophobicContact CD1-CG2 4.23Å; L744-L756 HydrophobicContact CD1-CD1 3.3Å
745	L	90.8	Very high	90.1	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-67.6	-39.8	175.2	-76.3	171.2	0	0	0	112	L659 M662 T663 M741 V742 G743 M747 N748 V753 L861 F864 F869	L659-L745 HydrophobicContact CD1-CB 3.59Å; L659-L745 HydrophobicContact CD1-CD1 3.48Å; L659-L745 VanDerWaalsContact CD1-CD1 3.48Å; L659-L745 HydrophobicContact CD1-CG 4.17Å; M662-L745 HydrophobicContact CE-CD1 4.4Å; T663-L745 HydrophobicContact CG2-CD1 3.94Å; M741-L745 WeakPolarHBondContact O-CB 3.48Å; M741-L745 WeakPolarHBondContact O-CD1 3.4Å; M741-L745 VanDerWaalsContact O-CG 3.29Å; M741-L745 WeakPolarHBondContact O-CG 3.37Å; M741-L745 PolarHBondContact O-N 2.94Å; M741-L745 VanDerWaalsContact O-N 3.14Å; V742-L745 PolarHBondContact O-N 3.37Å; G743-L745 PolarHBondContact O-N 3.23Å; L745-M747 PolarHBondContact O-N 2.83Å; L745-N748 PolarHBondContact O-N 2.95Å; L745-N748 VanDerWaalsContact O-N 3.14Å; L745-V753 HydrophobicContact CD2-CB 4.5Å; L745-V753 HydrophobicContact CD2-CG1 4.02Å; L745-V753 HydrophobicContact CD2-CG2 4.17Å; L745-V753 HydrophobicContact CG-CG1 4.34Å; L745-V753 HydrophobicContact CG-CG2 4.11Å; L745-L861 HydrophobicContact CD2-CD2 4.02Å; L745-F864 HydrophobicContact CB-CE1 3.8Å; L745-F864 HydrophobicContact CB-CZ 4.23Å; L745-F864 HydrophobicContact CD2-CD1 3.89Å; L745-F864 HydrophobicContact CD2-CE1 3.94Å; L745-F864 HydrophobicContact CG-CE1 4.38Å; L745-F869 VanDerWaalsContact O-CE2 3.27Å; L745-F869 WeakPolarHBondContact O-CE2 3.43Å; L745-F869 VanDerWaalsContact O-CZ 3.31Å; L745-F869 WeakPolarHBondContact O-CZ 3.41Å
746	K	89.3	Confident	90.3	Very high	36 Å²	36	20.9 Å²	20.9	16%	0.157	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-19.9	171.9	-79.3	172.9	175	-176.6	0	113.9	F566 L659 A693 D695 V742 G743	F566-K746 HydrophobicContact CB-CB 4.3Å; F566-K746 HydrophobicContact CB-CG 4.29Å; F566-K746 HydrophobicContact CG-CG 4.29Å; L659-K746 HydrophobicContact CD2-CG 4.31Å; A693-K746 HydrophobicContact CB-CB 3.99Å; A693-K746 HydrophobicContact CB-CD 4.41Å; A693-K746 WeakPolarHBondContact O-CD 3.49Å; A693-K746 WeakPolarHBondContact O-CE 3.41Å; A693-K746 PolarHBondContact O-NZ 3.44Å; D695-K746 IonicContact OD1-NZ 2.71Å; D695-K746 PolarHBondContact OD1-NZ 2.88Å; D695-K746 IonicContact OD2-NZ 3.82Å; D695-K746 PolarHBondContact OD2-NZ 3.34Å; V742-K746 HydrophobicContact CG1-CD 4.11Å; V742-K746 WeakPolarHBondContact O-CB 3.4Å; V742-K746 WeakPolarHBondContact O-CG 3.36Å; V742-K746 PolarHBondContact O-N 2.9Å; G743-K746 PolarHBondContact O-N 3.02Å
747	M	86.9	Confident	90.4	Very high	29 Å²	29	20.6 Å²	20.6	14%	0.143	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7	176.8	-66.4	-176	79.6	0	0	114.5	I684 F690 A693 G743 L744 L745 N749	I684-M747 HydrophobicContact CD1-SD 4.22Å; I684-M747 HydrophobicContact CG2-CE 3.97Å; F690-M747 WeakPolarHBondContact CA-SD 3.46Å; F690-M747 HydrophobicContact CB-CE 4.19Å; F690-M747 HydrophobicContact CB-SD 3.82Å; F690-M747 HydrophobicContact CD2-SD 3.77Å; F690-M747 HydrophobicContact CG-SD 4.3Å; A693-M747 HydrophobicContact CB-CG 3.56Å; A693-M747 HydrophobicContact CB-SD 4.32Å; G743-M747 WeakPolarHBondContact O-CG 3.5Å; G743-M747 PolarHBondContact O-N 2.69Å; L744-M747 PolarHBondContact O-N 2.78Å; L745-M747 PolarHBondContact O-N 2.83Å; M747-N749 WeakPolarHBondContact CB-ND2 3.29Å; M747-N749 PolarHBondContact O-N 3.33Å
748	N	87.3	Confident	90.5	Very high	46 Å²	46	21.9 Å²	21.9	25%	0.246	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	21.4	-172.5	-159.1	6.4	0	0	0	114.2	P564 L745 V750 Q865 F869	P564-N748 HydrophobicContact CG-CB 4.25Å; L745-N748 PolarHBondContact O-N 2.95Å; L745-N748 VanDerWaalsContact O-N 3.14Å; N748-V750 PolarHBondContact O-N 3.3Å; N748-Q865 WeakPolarHBondContact OD1-CG 3.33Å; N748-Q865 PolarHBondContact OD1-NE2 3.37Å; N748-F869 HydrophobicContact CB-CD1 4.19Å; N748-F869 HydrophobicContact CB-CD2 3.61Å; N748-F869 HydrophobicContact CB-CE1 4.19Å; N748-F869 HydrophobicContact CB-CE2 3.64Å; N748-F869 HydrophobicContact CB-CG 3.89Å; N748-F869 HydrophobicContact CB-CZ 3.93Å; N748-F869 WeakPolarHBondContact OD1-CD2 3.19Å
749	N	87.6	Confident	90.4	Very high	42 Å²	42	23.9 Å²	23.9	23%	0.225	12%	0.123	C	C	.	.			trans	-83.1	47.5	-178.8	-84.4	-54.3	0	0	0	112.8	L744 M747 N751 L752 V753	L744-N749 WeakPolarHBondContact O-CB 3.4Å; L744-N749 PolarHBondContact O-N 2.72Å; L744-N749 VanDerWaalsContact O-N 3.1Å; M747-N749 WeakPolarHBondContact CB-ND2 3.29Å; M747-N749 PolarHBondContact O-N 3.33Å; N749-N751 VanDerWaalsContact C-N 3.35Å; N749-N751 PolarHBondContact O-N 3.47Å; N749-L752 HydrophobicContact CB-CB 4.4Å; N749-L752 PolarHBondContact O-N 3.39Å; N749-V753 WeakPolarHBondContact O-CG2 3.44Å; N749-V753 PolarHBondContact O-N 3.05Å
750	V	87.5	Confident	90.5	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.03	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-37.3	-169.8	-178.2	0	0	0	0	113	N748 V753 A754 L861 Q865	N748-V750 PolarHBondContact O-N 3.3Å; V750-V753 WeakPolarHBondContact O-CB 3.45Å; V750-V753 PolarHBondContact O-N 3.41Å; V750-A754 PolarHBondContact O-N 3.01Å; V750-L861 HydrophobicContact CG1-CB 3.88Å; V750-L861 HydrophobicContact CG1-CD2 4.28Å; V750-L861 HydrophobicContact CG1-CG 4.43Å; V750-Q865 HydrophobicContact CG2-CB 4.09Å; V750-Q865 HydrophobicContact CG2-CG 3.98Å
751	N	88.4	Confident	90.5	Very high	126 Å²	126	22.7 Å²	22.7	67%	0.674	12%	0.118	S	C	*	.	H	α-helix	trans	-66.2	-42.6	177	-67.8	-31.6	0	0	0	112.6	N749 V753 A754 Q755	N749-N751 VanDerWaalsContact C-N 3.35Å; N749-N751 PolarHBondContact O-N 3.47Å; N751-V753 VanDerWaalsContact C-N 3.34Å; N751-A754 PolarHBondContact O-N 2.93Å; N751-Q755 WeakPolarHBondContact O-CG 3.3Å; N751-Q755 PolarHBondContact O-N 3.32Å; N751-Q755 VanDerWaalsContact O-N 3.08Å
752	L	90.5	Very high	90.5	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-38.7	174.9	175.6	61.6	0	0	0	111	L679 V680 H683 I684 L744 N749 Q755 L756	L679-L752 HydrophobicContact CB-CD1 4.24Å; V680-L752 HydrophobicContact CG2-CD2 4.49Å; H683-L752 HydrophobicContact CB-CD1 4Å; H683-L752 HydrophobicContact CB-CD2 3.94Å; H683-L752 HydrophobicContact CB-CG 4.41Å; I684-L752 HydrophobicContact CD1-CD2 4.03Å; I684-L752 HydrophobicContact CG1-CD2 3.9Å; L744-L752 HydrophobicContact CD2-CD2 4.02Å; N749-L752 HydrophobicContact CB-CB 4.4Å; N749-L752 PolarHBondContact O-N 3.39Å; L752-Q755 PolarHBondContact O-N 2.98Å; L752-L756 HydrophobicContact CD1-CD1 4.12Å; L752-L756 HydrophobicContact CD1-CG 4.21Å; L752-L756 HydrophobicContact CG-CD1 3.96Å; L752-L756 HydrophobicContact CG-CG 4.49Å; L752-L756 WeakPolarHBondContact O-CB 3.41Å; L752-L756 VanDerWaalsContact O-CG 3.27Å; L752-L756 WeakPolarHBondContact O-CG 3.4Å; L752-L756 PolarHBondContact O-N 3.08Å
753	V	92.2	Very high	90.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.7	-48.4	171.9	161.3	0	0	0	0	110.9	M741 L744 L745 N749 V750 N751 Q755 L756 I757 L861	M741-V753 HydrophobicContact CE-CB 4.34Å; M741-V753 HydrophobicContact CE-CG1 3.69Å; M741-V753 HydrophobicContact CE-CG2 4.46Å; L744-V753 HydrophobicContact CB-CG2 3.5Å; L744-V753 VanDerWaalsContact CB-CG2 3.5Å; L744-V753 HydrophobicContact CD1-CG2 4.23Å; L745-V753 HydrophobicContact CD2-CB 4.5Å; L745-V753 HydrophobicContact CD2-CG1 4.02Å; L745-V753 HydrophobicContact CD2-CG2 4.17Å; L745-V753 HydrophobicContact CG-CG1 4.34Å; L745-V753 HydrophobicContact CG-CG2 4.11Å; N749-V753 WeakPolarHBondContact O-CG2 3.44Å; N749-V753 PolarHBondContact O-N 3.05Å; V750-V753 WeakPolarHBondContact O-CB 3.45Å; V750-V753 PolarHBondContact O-N 3.41Å; N751-V753 VanDerWaalsContact C-N 3.34Å; V753-Q755 PolarHBondContact O-N 2.78Å; V753-L756 PolarHBondContact O-N 3.22Å; V753-I757 HydrophobicContact CG1-CD1 3.86Å; V753-I757 WeakPolarHBondContact O-CG1 3.44Å; V753-I757 PolarHBondContact O-N 3.5Å; V753-L861 HydrophobicContact CG1-CD2 3.57Å
754	A	90.9	Very high	90.6	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-46	177.3	0	0	0	0	0	112.9	V750 N751 I757 Q758 L861	V750-A754 PolarHBondContact O-N 3.01Å; N751-A754 PolarHBondContact O-N 2.93Å; A754-I757 WeakPolarHBondContact O-CB 3.38Å; A754-I757 PolarHBondContact O-N 3.46Å; A754-Q758 PolarHBondContact O-N 3.38Å; A754-L861 HydrophobicContact CB-CD1 4.14Å
755	Q	90.1	Very high	90.6	Very high	63 Å²	63	22.3 Å²	22.3	29%	0.294	12%	0.115	S	C	.	.	H	α-helix	trans	-65.1	-39.3	177.2	-70.3	176.1	-8.4	0	0	112.7	N751 L752 V753 Q758 N759	N751-Q755 WeakPolarHBondContact O-CG 3.3Å; N751-Q755 PolarHBondContact O-N 3.32Å; N751-Q755 VanDerWaalsContact O-N 3.08Å; L752-Q755 PolarHBondContact O-N 2.98Å; V753-Q755 PolarHBondContact O-N 2.78Å; Q755-Q758 PolarHBondContact O-N 3.14Å; Q755-N759 PolarHBondContact O-N 3.03Å; Q755-N759 VanDerWaalsContact O-N 3.16Å; Q755-N759 PolarHBondContact O-ND2 2.78Å
756	L	92.6	Very high	90.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-41.3	173.8	-74.8	168	0	0	0	111.1	I676 L679 V680 M741 L744 L752 V753 Q758 N759 I760	I676-L756 HydrophobicContact CB-CD2 4.34Å; I676-L756 HydrophobicContact CG1-CD2 3.96Å; I676-L756 HydrophobicContact CG2-CD2 4.22Å; L679-L756 HydrophobicContact CB-CD2 4.27Å; L679-L756 HydrophobicContact CD1-CD2 3.87Å; V680-L756 HydrophobicContact CG2-CD1 4.14Å; M741-L756 HydrophobicContact SD-CB 4.43Å; L744-L756 HydrophobicContact CD1-CD1 3.3Å; L752-L756 HydrophobicContact CD1-CD1 4.12Å; L752-L756 HydrophobicContact CD1-CG 4.21Å; L752-L756 HydrophobicContact CG-CD1 3.96Å; L752-L756 HydrophobicContact CG-CG 4.49Å; L752-L756 WeakPolarHBondContact O-CB 3.41Å; L752-L756 VanDerWaalsContact O-CG 3.27Å; L752-L756 WeakPolarHBondContact O-CG 3.4Å; L752-L756 PolarHBondContact O-N 3.08Å; V753-L756 PolarHBondContact O-N 3.22Å; L756-Q758 PolarHBondContact O-N 2.94Å; L756-N759 PolarHBondContact O-N 3.32Å; L756-I760 HydrophobicContact CB-CD1 4.38Å; L756-I760 VanDerWaalsContact O-CB 3.31Å; L756-I760 WeakPolarHBondContact O-CB 3.43Å; L756-I760 WeakPolarHBondContact O-CD1 3.25Å; L756-I760 WeakPolarHBondContact O-CG1 3.2Å; L756-I760 PolarHBondContact O-N 2.79Å
757	I	92.6	Very high	90.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-48.3	175.1	-68.8	167.7	0	0	0	110.8	F666 M741 V753 A754 N759 I760 V761 I830 V854 T857 V858 L861	F666-I757 HydrophobicContact CE1-CG1 3.8Å; F666-I757 HydrophobicContact CZ-CD1 3.93Å; F666-I757 HydrophobicContact CZ-CG1 3.66Å; M741-I757 HydrophobicContact CE-CD1 3.79Å; M741-I757 HydrophobicContact CE-CG1 3.42Å; M741-I757 VanDerWaalsContact CE-CG1 3.42Å; V753-I757 HydrophobicContact CG1-CD1 3.86Å; V753-I757 WeakPolarHBondContact O-CG1 3.44Å; V753-I757 PolarHBondContact O-N 3.5Å; A754-I757 WeakPolarHBondContact O-CB 3.38Å; A754-I757 PolarHBondContact O-N 3.46Å; I757-N759 PolarHBondContact O-N 2.76Å; I757-I760 PolarHBondContact O-N 2.81Å; I757-V761 HydrophobicContact CG2-CG2 4Å; I757-V761 VanDerWaalsContact O-CB 3.3Å; I757-V761 WeakPolarHBondContact O-CB 3.25Å; I757-V761 VanDerWaalsContact O-CG2 3.24Å; I757-V761 WeakPolarHBondContact O-CG2 3.43Å; I757-V761 PolarHBondContact O-N 3.41Å; I757-I830 HydrophobicContact CG2-CD1 3.68Å; I757-V854 HydrophobicContact CG2-CG1 3.31Å; I757-T857 HydrophobicContact CD1-CG2 4.17Å; I757-V858 HydrophobicContact CB-CG2 4.43Å; I757-V858 HydrophobicContact CD1-CG2 3.8Å; I757-V858 HydrophobicContact CG2-CG2 3.77Å; I757-L861 HydrophobicContact CD1-CD1 4.38Å
758	Q	90.8	Very high	90.7	Very high	30 Å²	30	26.1 Å²	26.1	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-53.3	-52.8	178	-178.1	170.7	27.3	0	0	111.2	A754 Q755 L756 V761 I762 M829	A754-Q758 PolarHBondContact O-N 3.38Å; Q755-Q758 PolarHBondContact O-N 3.14Å; L756-Q758 PolarHBondContact O-N 2.94Å; Q758-V761 PolarHBondContact O-N 3.46Å; Q758-I762 HydrophobicContact CG-CD1 3.97Å; Q758-I762 WeakPolarHBondContact O-CD1 3.41Å; Q758-I762 VanDerWaalsContact O-CG1 3.23Å; Q758-I762 WeakPolarHBondContact O-CG1 3.29Å; Q758-I762 PolarHBondContact O-N 3.49Å; Q758-M829 HydrophobicContact CB-CE 4.33Å; Q758-M829 HydrophobicContact CG-CE 3.77Å; Q758-M829 HydrophobicContact CG-SD 3.81Å
759	N	90.8	Very high	90.6	Very high	51 Å²	51	24.2 Å²	24.2	27%	0.273	13%	0.127	S	C	.	.	H	α-helix	trans	-65	-42.1	-179.9	-72.3	-58.3	0	0	0	113.3	Q755 L756 I757 L763	Q755-N759 PolarHBondContact O-N 3.03Å; Q755-N759 VanDerWaalsContact O-N 3.16Å; Q755-N759 PolarHBondContact O-ND2 2.78Å; L756-N759 PolarHBondContact O-N 3.32Å; I757-N759 PolarHBondContact O-N 2.76Å; N759-L763 PolarHBondContact O-N 3.36Å; N759-L763 VanDerWaalsContact O-N 3.1Å
760	I	93	Very high	90.6	Very high	5 Å²	5	23 Å²	23	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-39.1	178.2	-68.9	164.1	0	0	0	111.2	L669 I676 L737 L756 I757 S764	L669-I760 HydrophobicContact CB-CG2 3.67Å; L669-I760 HydrophobicContact CD1-CG2 3.74Å; L669-I760 HydrophobicContact CG-CG2 4.32Å; I676-I760 HydrophobicContact CD1-CD1 4.08Å; I676-I760 HydrophobicContact CD1-CG1 4.35Å; L737-I760 HydrophobicContact CD1-CD1 4.38Å; L737-I760 HydrophobicContact CD1-CG2 4.21Å; L737-I760 HydrophobicContact CD2-CD1 3.86Å; L756-I760 HydrophobicContact CB-CD1 4.38Å; L756-I760 VanDerWaalsContact O-CB 3.31Å; L756-I760 WeakPolarHBondContact O-CB 3.43Å; L756-I760 WeakPolarHBondContact O-CD1 3.25Å; L756-I760 WeakPolarHBondContact O-CG1 3.2Å; L756-I760 PolarHBondContact O-N 2.79Å; I757-I760 PolarHBondContact O-N 2.81Å; I760-S764 VanDerWaalsContact O-CB 3.23Å; I760-S764 WeakPolarHBondContact O-CB 3.48Å; I760-S764 PolarHBondContact O-N 2.79Å; I760-S764 PolarHBondContact O-OG 2.87Å
761	V	93	Very high	90.4	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-46.1	177.1	165.5	0	0	0	0	111.2	I757 Q758 T765 I830 L833 L851 V854	I757-V761 HydrophobicContact CG2-CG2 4Å; I757-V761 VanDerWaalsContact O-CB 3.3Å; I757-V761 WeakPolarHBondContact O-CB 3.25Å; I757-V761 VanDerWaalsContact O-CG2 3.24Å; I757-V761 WeakPolarHBondContact O-CG2 3.43Å; I757-V761 PolarHBondContact O-N 3.41Å; Q758-V761 PolarHBondContact O-N 3.46Å; V761-T765 WeakPolarHBondContact O-CB 3.05Å; V761-T765 PolarHBondContact O-N 2.9Å; V761-T765 PolarHBondContact O-OG1 3.06Å; V761-I830 HydrophobicContact CG1-CG1 4.43Å; V761-I830 HydrophobicContact CG2-CD1 4.48Å; V761-L833 HydrophobicContact CG1-CD2 3.64Å; V761-L851 HydrophobicContact CG1-CD1 3.67Å; V761-L851 HydrophobicContact CG2-CD1 4.17Å; V761-V854 HydrophobicContact CG2-CB 4.43Å; V761-V854 HydrophobicContact CG2-CG1 3.67Å
762	I	92.7	Very high	90.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-51.2	177.8	-68.8	160.6	0	0	0	110	Q758 T765 A766 Y812 L815 S819 M829	Q758-I762 HydrophobicContact CG-CD1 3.97Å; Q758-I762 WeakPolarHBondContact O-CD1 3.41Å; Q758-I762 VanDerWaalsContact O-CG1 3.23Å; Q758-I762 WeakPolarHBondContact O-CG1 3.29Å; Q758-I762 PolarHBondContact O-N 3.49Å; I762-T765 PolarHBondContact O-N 3.13Å; I762-A766 WeakPolarHBondContact O-CB 3.2Å; I762-A766 PolarHBondContact O-N 3.13Å; I762-Y812 HydrophobicContact CG2-CD2 3.79Å; I762-Y812 HydrophobicContact CG2-CE2 3.72Å; I762-L815 HydrophobicContact CG2-CB 3.91Å; I762-S819 VanDerWaalsContact CD1-OG 3.26Å; I762-S819 WeakPolarHBondContact CD1-OG 3.34Å; I762-M829 HydrophobicContact CD1-SD 4.24Å; I762-M829 HydrophobicContact CG1-SD 4.46Å
763	L	92.4	Very high	90.4	Very high	15 Å²	15	23.1 Å²	23.1	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-46	-179.8	-177.8	59.3	0	0	0	113	M672 N759 T765 A766 V767 W808 Y812	M672-L763 HydrophobicContact CB-CD2 3.92Å; N759-L763 PolarHBondContact O-N 3.36Å; N759-L763 VanDerWaalsContact O-N 3.1Å; L763-T765 VanDerWaalsContact C-N 3.34Å; L763-T765 PolarHBondContact O-N 3.14Å; L763-A766 PolarHBondContact O-N 3.39Å; L763-V767 HydrophobicContact CD1-CG2 4.41Å; L763-V767 WeakPolarHBondContact O-CG2 3.47Å; L763-V767 PolarHBondContact O-N 3.13Å; L763-V767 VanDerWaalsContact O-N 3.08Å; L763-W808 HydrophobicContact CD1-CE3 4.15Å; L763-W808 HydrophobicContact CD1-CZ3 4Å; L763-Y812 HydrophobicContact CB-CD2 4.21Å; L763-Y812 HydrophobicContact CB-CE2 4.04Å; L763-Y812 HydrophobicContact CD1-CD2 3.9Å; L763-Y812 HydrophobicContact CD1-CE2 4.2Å
764	S	91.4	Very high	90.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-42.2	179	-57.2	0	0	0	0	111.7	T670 I760 A766 V767 E768 W848	T670-S764 PolarHBondContact N-OG 3.43Å; T670-S764 PolarHBondContact O-OG 2.97Å; I760-S764 VanDerWaalsContact O-CB 3.23Å; I760-S764 WeakPolarHBondContact O-CB 3.48Å; I760-S764 PolarHBondContact O-N 2.79Å; I760-S764 PolarHBondContact O-OG 2.87Å; S764-A766 VanDerWaalsContact C-N 3.35Å; S764-A766 PolarHBondContact O-N 3.26Å; S764-V767 PolarHBondContact O-N 2.85Å; S764-E768 WeakPolarHBondContact O-CB 3.42Å; S764-E768 VanDerWaalsContact O-CG 3.3Å; S764-E768 WeakPolarHBondContact O-CG 3.48Å; S764-E768 PolarHBondContact O-N 3.17Å; S764-W848 VanDerWaalsContact CB-CZ2 3.49Å
765	T	91.4	Very high	90.2	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-40.4	178.5	-55.4	0	0	0	0	111.1	V761 I762 L763 V767 E768 L769 L815 L833 L837	V761-T765 WeakPolarHBondContact O-CB 3.05Å; V761-T765 PolarHBondContact O-N 2.9Å; V761-T765 PolarHBondContact O-OG1 3.06Å; I762-T765 PolarHBondContact O-N 3.13Å; L763-T765 VanDerWaalsContact C-N 3.34Å; L763-T765 PolarHBondContact O-N 3.14Å; T765-V767 VanDerWaalsContact C-N 3.32Å; T765-V767 PolarHBondContact O-N 3.32Å; T765-E768 PolarHBondContact O-N 3.37Å; T765-L769 HydrophobicContact CG2-CD1 3.86Å; T765-L769 HydrophobicContact CG2-CG 4.3Å; T765-L769 VanDerWaalsContact O-CB 3.31Å; T765-L769 WeakPolarHBondContact O-CB 3.33Å; T765-L769 WeakPolarHBondContact O-CD1 3.3Å; T765-L769 WeakPolarHBondContact O-CG 3.32Å; T765-L769 PolarHBondContact O-N 2.95Å; T765-L815 HydrophobicContact CG2-CD1 3.85Å; T765-L833 HydrophobicContact CG2-CD1 4.25Å; T765-L833 HydrophobicContact CG2-CD2 4.26Å; T765-L833 HydrophobicContact CG2-CG 4.48Å; T765-L837 HydrophobicContact CG2-CD1 3.78Å; T765-L837 HydrophobicContact CG2-CD2 4.05Å; T765-L837 HydrophobicContact CG2-CG 4.47Å
766	A	91	Very high	90.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-40.2	175.1	0	0	0	0	0	112.7	I762 L763 S764 G770 W808 A811 Y812 L815	I762-A766 WeakPolarHBondContact O-CB 3.2Å; I762-A766 PolarHBondContact O-N 3.13Å; L763-A766 PolarHBondContact O-N 3.39Å; S764-A766 VanDerWaalsContact C-N 3.35Å; S764-A766 PolarHBondContact O-N 3.26Å; A766-G770 PolarHBondContact O-N 3.29Å; A766-W808 WeakPolarHBondContact O-CA 3.49Å; A766-W808 WeakPolarHBondContact O-CB 3.29Å; A766-A811 HydrophobicContact CB-CB 3.91Å; A766-Y812 HydrophobicContact CB-CD2 4.48Å; A766-L815 HydrophobicContact CB-CD1 4.21Å
767	V	89.6	Confident	89.9	Confident	60 Å²	60	25 Å²	25	36%	0.364	12%	0.122	S	C	.	.	H	α-helix	trans	-70.3	-47	177.5	171.6	0	0	0	0	112	T670 L763 S764 T765 L769 G770 W808	T670-V767 HydrophobicContact CG2-CG2 4.27Å; L763-V767 HydrophobicContact CD1-CG2 4.41Å; L763-V767 WeakPolarHBondContact O-CG2 3.47Å; L763-V767 PolarHBondContact O-N 3.13Å; L763-V767 VanDerWaalsContact O-N 3.08Å; S764-V767 PolarHBondContact O-N 2.85Å; T765-V767 VanDerWaalsContact C-N 3.32Å; T765-V767 PolarHBondContact O-N 3.32Å; V767-L769 VanDerWaalsContact C-N 3.32Å; V767-L769 PolarHBondContact O-N 3.49Å; V767-G770 PolarHBondContact O-N 2.89Å; V767-W808 HydrophobicContact CG2-CB 3.99Å; V767-W808 HydrophobicContact CG2-CD2 4.34Å; V767-W808 HydrophobicContact CG2-CG 4.14Å
768	E	88.3	Confident	89.6	Confident	86 Å²	86	30.2 Å²	30.2	40%	0.402	15%	0.147	S	C	.	.	H	α-helix	trans	-66.2	-30	178.3	-69.5	-76.4	169.6	0	0	113	S764 T765 I844 W848	S764-E768 WeakPolarHBondContact O-CB 3.42Å; S764-E768 VanDerWaalsContact O-CG 3.3Å; S764-E768 WeakPolarHBondContact O-CG 3.48Å; S764-E768 PolarHBondContact O-N 3.17Å; T765-E768 PolarHBondContact O-N 3.37Å; E768-I844 HydrophobicContact CB-CG2 4.45Å; E768-W848 HydrophobicContact CG-CD2 3.89Å; E768-W848 HydrophobicContact CG-CE3 4.34Å; E768-W848 HydrophobicContact CG-CG 4.16Å; E768-W848 HydrophobicContact CG-CZ2 4.12Å; E768-W848 PolarHBondContact OE1-NE1 2.81Å
769	L	86.8	Confident	89.2	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-46.5	172.9	-78.1	164.3	0	0	0	112.2	T765 V767 I771 R772 W773 L776 L815 L837 M840 I844	T765-L769 HydrophobicContact CG2-CD1 3.86Å; T765-L769 HydrophobicContact CG2-CG 4.3Å; T765-L769 VanDerWaalsContact O-CB 3.31Å; T765-L769 WeakPolarHBondContact O-CB 3.33Å; T765-L769 WeakPolarHBondContact O-CD1 3.3Å; T765-L769 WeakPolarHBondContact O-CG 3.32Å; T765-L769 PolarHBondContact O-N 2.95Å; V767-L769 VanDerWaalsContact C-N 3.32Å; V767-L769 PolarHBondContact O-N 3.49Å; L769-I771 PolarHBondContact O-N 3.33Å; L769-R772 HydrophobicContact CD2-CB 4.34Å; L769-R772 WeakPolarHBondContact O-CB 3.26Å; L769-R772 PolarHBondContact O-N 2.98Å; L769-W773 HydrophobicContact CB-CB 4.13Å; L769-W773 HydrophobicContact CD1-CB 4.2Å; L769-L776 HydrophobicContact CD1-CD2 3.56Å; L769-L776 HydrophobicContact CD2-CB 4.33Å; L769-L776 HydrophobicContact CD2-CD2 4.17Å; L769-L776 HydrophobicContact CG-CD2 4.48Å; L769-L815 HydrophobicContact CD1-CD1 3.99Å; L769-L837 HydrophobicContact CD2-CD2 3.92Å; L769-L837 HydrophobicContact CG-CD2 4.39Å; L769-M840 HydrophobicContact CD2-CE 4.02Å; L769-M840 HydrophobicContact CD2-SD 3.87Å; L769-I844 HydrophobicContact CD2-CD1 3.9Å; L769-I844 HydrophobicContact CG-CD1 4.42Å
770	G	86	Confident	88.7	Confident	16 Å²	16	32.3 Å²	32.3	17%	0.165	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	47.2	-128.3	-168.2	0	0	0	0	0	111.2	A766 V767 R772 W773	A766-G770 PolarHBondContact O-N 3.29Å; V767-G770 PolarHBondContact O-N 2.89Å; G770-R772 PolarHBondContact O-N 2.68Å; G770-W773 VanDerWaalsContact O-CD1 3.27Å; G770-W773 PolarHBondContact O-N 3.47Å
771	I	84.4	Confident	87.7	Confident	70 Å²	70	33.5 Å²	33.5	36%	0.359	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-52.9	-29	177.7	-55.5	159	0	0	0	112.7	L769 W773 Q804 M807	L769-I771 PolarHBondContact O-N 3.33Å; I771-W773 PolarHBondContact O-N 3.44Å; I771-Q804 HydrophobicContact CD1-CB 4.14Å; I771-Q804 HydrophobicContact CD1-CG 3.84Å; I771-Q804 HydrophobicContact CG1-CB 4.42Å; I771-Q804 HydrophobicContact CG1-CG 4.36Å; I771-M807 HydrophobicContact CB-CG 4.46Å; I771-M807 HydrophobicContact CG1-CB 4.39Å; I771-M807 HydrophobicContact CG1-CG 3.82Å
772	R	87.4	Confident	87.2	Confident	72 Å²	72	42.1 Å²	42.1	27%	0.272	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73.5	-8	-172.8	-57.1	-170.1	58.6	-152.9	-13.3	114.4	L769 G770 R774 E775 N842 I844	L769-R772 HydrophobicContact CD2-CB 4.34Å; L769-R772 WeakPolarHBondContact O-CB 3.26Å; L769-R772 PolarHBondContact O-N 2.98Å; G770-R772 PolarHBondContact O-N 2.68Å; R772-R774 PolarHBondContact O-N 2.67Å; R772-R774 VanDerWaalsContact O-N 3.09Å; R772-E775 IonicContact CZ-OE2 3.19Å; R772-E775 IonicContact NE-OE2 2.78Å; R772-E775 IonicContact NH2-OE2 2.76Å; R772-E775 PolarHBondContact NH2-OE2 2.84Å; R772-E775 WeakPolarHBondContact O-CB 3.44Å; R772-E775 PolarHBondContact O-N 2.86Å; R772-N842 VanDerWaalsContact CZ-O 3.24Å; R772-N842 PolarHBondContact NH1-O 3.43Å; R772-N842 PolarHBondContact NH2-O 2.86Å; R772-I844 VanDerWaalsContact NH1-CG1 3.33Å
773	W	90.4	Very high	86.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-53.8	-30.8	178	84.6	-87.6	0	0	0	112.8	L769 G770 I771 E775 L776 A777 I788 Y791 E792 P810 A811 F814	L769-W773 HydrophobicContact CB-CB 4.13Å; L769-W773 HydrophobicContact CD1-CB 4.2Å; G770-W773 VanDerWaalsContact O-CD1 3.27Å; G770-W773 PolarHBondContact O-N 3.47Å; I771-W773 PolarHBondContact O-N 3.44Å; W773-E775 PolarHBondContact O-N 2.95Å; W773-L776 CarbonylContact O-C 3.47Å; W773-L776 WeakPolarHBondContact O-CA 3.48Å; W773-L776 WeakPolarHBondContact O-CB 3.31Å; W773-L776 PolarHBondContact O-N 2.95Å; W773-L776 VanDerWaalsContact O-N 3.08Å; W773-A777 HydrophobicContact CE3-CB 3.94Å; W773-A777 HydrophobicContact CZ3-CB 3.72Å; W773-A777 WeakPolarHBondContact O-CB 3.22Å; W773-A777 PolarHBondContact O-N 2.89Å; W773-I788 HydrophobicContact CH2-CB 4.27Å; W773-I788 HydrophobicContact CH2-CG1 4.37Å; W773-I788 HydrophobicContact CH2-CG2 3.79Å; W773-I788 HydrophobicContact CZ2-CG2 3.73Å; W773-Y791 HydrophobicContact CH2-CG 4.37Å; W773-E792 HydrophobicContact CZ2-CG 3.77Å; W773-E792 WeakPolarHBondContact CZ2-OE1 3.13Å; W773-E792 PolarHBondContact NE1-OE1 2.96Å; W773-P810 HydrophobicContact CD2-CB 4.43Å; W773-P810 HydrophobicContact CH2-CB 4.34Å; W773-P810 HydrophobicContact CZ2-CB 3.73Å; W773-A811 HydrophobicContact CB-CB 3.33Å; W773-A811 HydrophobicContact CD2-CB 4.29Å; W773-A811 HydrophobicContact CG-CB 3.65Å; W773-F814 HydrophobicContact CE3-CB 3.95Å; W773-F814 HydrophobicContact CE3-CD1 4.05Å; W773-F814 HydrophobicContact CE3-CG 4.1Å; W773-F814 HydrophobicContact CZ3-CB 3.71Å; W773-F814 HydrophobicContact CZ3-CD1 4.31Å; W773-F814 AromaticContact CZ3-CG 3.92Å; W773-F814 HydrophobicContact CZ3-CG 3.92Å
774	R	89.4	Confident	86.7	Confident	84 Å²	84	46.2 Å²	46.2	32%	0.317	23%	0.229	S	C	.	.	H	α-helix	trans	-56.8	-44.4	174.2	-57.3	177.4	177.9	153.8	-8.7	112.7	R772 L776 A777 E778 I788 E792	R772-R774 PolarHBondContact O-N 2.67Å; R772-R774 VanDerWaalsContact O-N 3.09Å; R774-L776 PolarHBondContact O-N 3.06Å; R774-A777 PolarHBondContact O-N 2.99Å; R774-E778 WeakPolarHBondContact O-CG 3.48Å; R774-E778 PolarHBondContact O-N 3.35Å; R774-I788 HydrophobicContact CB-CG2 4.4Å; R774-I788 HydrophobicContact CG-CG2 3.87Å; R774-E792 IonicContact CZ-OE1 3.77Å; R774-E792 IonicContact CZ-OE2 2.86Å; R774-E792 IonicContact NE-OE1 2.73Å; R774-E792 PolarHBondContact NE-OE1 2.94Å; R774-E792 IonicContact NE-OE2 3.83Å; R774-E792 IonicContact NH2-OE1 3.81Å; R774-E792 PolarHBondContact NH2-OE1 3.49Å; R774-E792 IonicContact NH2-OE2 3.76Å; R774-E792 PolarHBondContact NH2-OE2 2.87Å
775	E	89.7	Confident	86.4	Confident	26 Å²	26	51.1 Å²	51.1	12%	0.121	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-32.1	177.6	-157.9	-147.8	143.5	0	0	111.4	R772 W773 K779 M840 K841	R772-E775 IonicContact CZ-OE2 3.19Å; R772-E775 IonicContact NE-OE2 2.78Å; R772-E775 IonicContact NH2-OE2 2.76Å; R772-E775 PolarHBondContact NH2-OE2 2.84Å; R772-E775 WeakPolarHBondContact O-CB 3.44Å; R772-E775 PolarHBondContact O-N 2.86Å; W773-E775 PolarHBondContact O-N 2.95Å; E775-K779 WeakPolarHBondContact O-CB 3.48Å; E775-K779 WeakPolarHBondContact O-CD 3.45Å; E775-K779 VanDerWaalsContact O-CG 3.3Å; E775-K779 WeakPolarHBondContact O-CG 3.05Å; E775-K779 PolarHBondContact O-N 2.94Å; E775-K779 IonicContact OE1-NZ 3.29Å; E775-K779 PolarHBondContact OE1-NZ 2.9Å; E775-M840 WeakPolarHBondContact OE1-CA 3.27Å; E775-M840 WeakPolarHBondContact OE1-CB 3.31Å; E775-K841 WeakPolarHBondContact OE1-CG 3.31Å; E775-K841 PolarHBondContact OE1-N 2.79Å
776	L	89.2	Confident	86.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-79.9	-38.2	177.6	-165.9	69.3	0	0	0	111.6	L769 W773 R774 K779 M780 L815 L833 A836 L837 M840	L769-L776 HydrophobicContact CD1-CD2 3.56Å; L769-L776 HydrophobicContact CD2-CB 4.33Å; L769-L776 HydrophobicContact CD2-CD2 4.17Å; L769-L776 HydrophobicContact CG-CD2 4.48Å; W773-L776 CarbonylContact O-C 3.47Å; W773-L776 WeakPolarHBondContact O-CA 3.48Å; W773-L776 WeakPolarHBondContact O-CB 3.31Å; W773-L776 PolarHBondContact O-N 2.95Å; W773-L776 VanDerWaalsContact O-N 3.08Å; R774-L776 PolarHBondContact O-N 3.06Å; L776-K779 PolarHBondContact O-N 3.25Å; L776-M780 HydrophobicContact CD1-CG 3.81Å; L776-M780 HydrophobicContact CD1-SD 3.53Å; L776-M780 VanDerWaalsContact CD1-SD 3.53Å; L776-M780 HydrophobicContact CD2-SD 3.75Å; L776-M780 HydrophobicContact CG-CG 3.94Å; L776-M780 HydrophobicContact CG-SD 3.44Å; L776-M780 WeakPolarHBondContact CG-SD 3.43Å; L776-M780 WeakPolarHBondContact O-CB 3.3Å; L776-M780 WeakPolarHBondContact O-CG 3.42Å; L776-M780 PolarHBondContact O-N 3.02Å; L776-L815 HydrophobicContact CD2-CD2 4.11Å; L776-L833 HydrophobicContact CD2-CD1 4.27Å; L776-A836 HydrophobicContact CD1-CB 3.84Å; L776-L837 HydrophobicContact CD1-CD2 4.08Å; L776-L837 HydrophobicContact CD1-CG 4.4Å; L776-L837 HydrophobicContact CD2-CD2 3.83Å; L776-M840 HydrophobicContact CB-SD 4.27Å; L776-M840 HydrophobicContact CD1-CG 4.23Å; L776-M840 HydrophobicContact CD1-SD 4.09Å
777	A	88.8	Confident	85.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.31	C	S	.	.	I	π-helix	trans	-61.3	-42.8	174.6	0	0	0	0	0	112.5	W773 R774 G781 K782 L783 I788 F814	W773-A777 HydrophobicContact CE3-CB 3.94Å; W773-A777 HydrophobicContact CZ3-CB 3.72Å; W773-A777 WeakPolarHBondContact O-CB 3.22Å; W773-A777 PolarHBondContact O-N 2.89Å; R774-A777 PolarHBondContact O-N 2.99Å; A777-G781 CarbonylContact O-C 3.57Å; A777-G781 WeakPolarHBondContact O-CA 3.49Å; A777-G781 PolarHBondContact O-N 2.91Å; A777-K782 PolarHBondContact O-N 2.95Å; A777-K782 VanDerWaalsContact O-N 3.16Å; A777-L783 HydrophobicContact CB-CD1 4.14Å; A777-L783 PolarHBondContact O-N 3.22Å; A777-I788 HydrophobicContact CB-CD1 4.1Å; A777-I788 HydrophobicContact CB-CG1 4.07Å; A777-F814 HydrophobicContact CB-CD1 4.42Å; A777-F814 HydrophobicContact CB-CE1 4.23Å; A777-F814 HydrophobicContact CB-CE2 4.37Å; A777-F814 HydrophobicContact CB-CZ 4.21Å
778	E	86	Confident	85.8	Confident	110 Å²	110	56.2 Å²	56.2	51%	0.514	30%	0.295	S	S	.	.	I	π-helix	trans	-60	-42.8	171.3	-71.7	170.2	-174.1	0	0	111.8	R774 K782 I788	R774-E778 WeakPolarHBondContact O-CG 3.48Å; R774-E778 PolarHBondContact O-N 3.35Å; E778-K782 VanDerWaalsContact O-CA 3.32Å; E778-K782 WeakPolarHBondContact O-CA 3.3Å; E778-K782 PolarHBondContact O-N 3.1Å; E778-I788 HydrophobicContact CG-CD1 3.89Å
779	K	81.8	Confident	85.7	Confident	91 Å²	91	54 Å²	54	40%	0.396	29%	0.291	S	S	.	.	I	π-helix	trans	-83.6	-37.2	-173.4	-75.3	177	173.4	179.8	0	115.1	E775 L776 K839	E775-K779 WeakPolarHBondContact O-CB 3.48Å; E775-K779 WeakPolarHBondContact O-CD 3.45Å; E775-K779 VanDerWaalsContact O-CG 3.3Å; E775-K779 WeakPolarHBondContact O-CG 3.05Å; E775-K779 PolarHBondContact O-N 2.94Å; E775-K779 IonicContact OE1-NZ 3.29Å; E775-K779 PolarHBondContact OE1-NZ 2.9Å; L776-K779 PolarHBondContact O-N 3.25Å; K779-K839 PolarHBondContact NZ-O 3.48Å
780	M	79.7	Confident	85.7	Confident	34 Å²	34	56.8 Å²	56.8	17%	0.167	32%	0.315	C	S	.	.	I	π-helix	trans	-92.1	-52.2	-179	-64.6	-175.5	85.1	0	0	111.9	L776 F814 W818 L833 A836	L776-M780 HydrophobicContact CD1-CG 3.81Å; L776-M780 HydrophobicContact CD1-SD 3.53Å; L776-M780 VanDerWaalsContact CD1-SD 3.53Å; L776-M780 HydrophobicContact CD2-SD 3.75Å; L776-M780 HydrophobicContact CG-CG 3.94Å; L776-M780 HydrophobicContact CG-SD 3.44Å; L776-M780 WeakPolarHBondContact CG-SD 3.43Å; L776-M780 WeakPolarHBondContact O-CB 3.3Å; L776-M780 WeakPolarHBondContact O-CG 3.42Å; L776-M780 PolarHBondContact O-N 3.02Å; M780-F814 HydrophobicContact CB-CZ 4.34Å; M780-W818 HydrophobicContact CE-CD2 4.1Å; M780-W818 HydrophobicContact CE-CH2 3.72Å; M780-W818 HydrophobicContact CE-CZ2 3.15Å; M780-W818 HydrophobicContact CE-CZ3 4.36Å; M780-L833 HydrophobicContact CE-CD1 3.93Å; M780-L833 HydrophobicContact SD-CD1 4Å; M780-A836 HydrophobicContact CE-CB 3.58Å; M780-A836 HydrophobicContact CG-CB 3.34Å; M780-A836 HydrophobicContact SD-CB 3.42Å; M780-A836 WeakPolarHBondContact SD-CB 3.35Å
781	G	72.6	Confident	85.8	Confident	29 Å²	29	59.2 Å²	59.2	30%	0.299	32%	0.32	S	S	.	.	I	π-helix	trans	-85	-16	-175.2	0	0	0	0	0	113.8	A777 L783	A777-G781 CarbonylContact O-C 3.57Å; A777-G781 WeakPolarHBondContact O-CA 3.49Å; A777-G781 PolarHBondContact O-N 2.91Å; G781-L783 PolarHBondContact O-N 3.14Å
782	K	82.6	Confident	86	Confident	182 Å²	182	56.4 Å²	56.4	79%	0.791	31%	0.306	S	S	*	.			trans	53.2	31.8	-166.5	-57	178.8	-177.6	174.9	0	111.8	A777 E778	A777-K782 PolarHBondContact O-N 2.95Å; A777-K782 VanDerWaalsContact O-N 3.16Å; E778-K782 VanDerWaalsContact O-CA 3.32Å; E778-K782 WeakPolarHBondContact O-CA 3.3Å; E778-K782 PolarHBondContact O-N 3.1Å
783	L	86.6	Confident	85.9	Confident	28 Å²	28	55.8 Å²	55.8	15%	0.147	32%	0.315	C	S	.	.			trans	-70.5	135.4	-175.5	-66.8	179.7	0	0	0	110.4	A777 G781 Q787 I788 Y791 F814	A777-L783 HydrophobicContact CB-CD1 4.14Å; A777-L783 PolarHBondContact O-N 3.22Å; G781-L783 PolarHBondContact O-N 3.14Å; L783-Q787 HydrophobicContact CB-CB 4.19Å; L783-Q787 HydrophobicContact CD2-CB 4.06Å; L783-I788 HydrophobicContact CB-CG1 4.03Å; L783-Y791 HydrophobicContact CD1-CD2 4.1Å; L783-Y791 HydrophobicContact CD1-CE2 3.69Å; L783-F814 HydrophobicContact CD1-CD2 3.57Å; L783-F814 HydrophobicContact CD1-CE2 3.55Å; L783-F814 HydrophobicContact CG-CE2 4.4Å
784	T	86.9	Confident	85.7	Confident	75 Å²	75	60.5 Å²	60.5	46%	0.46	35%	0.346	S	S	.	.			trans	-69.5	158.6	171.4	58.8	0	0	0	0	110.9	A786 Q787 I788	T784-A786 PolarHBondContact O-N 3.45Å; T784-Q787 PolarHBondContact O-N 3.46Å; T784-Q787 WeakPolarHBondContact OG1-CG 3.44Å; T784-Q787 PolarHBondContact OG1-N 2.86Å; T784-Q787 PolarHBondContact OG1-OE1 3.14Å; T784-I788 WeakPolarHBondContact O-CG1 3.44Å; T784-I788 PolarHBondContact O-N 2.8Å
785	S	85.5	Confident	85.4	Confident	103 Å²	103	58.5 Å²	58.5	72%	0.72	34%	0.34	S	S	*	.	H	α-helix	trans	-54.1	-35.4	173.4	50.9	0	0	0	0	112.9	I788 A789	S785-I788 PolarHBondContact O-N 3.35Å; S785-A789 WeakPolarHBondContact O-CB 3.43Å; S785-A789 PolarHBondContact O-N 2.78Å
786	A	85.8	Confident	85	Confident	69 Å²	69	61.6 Å²	61.6	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-65.5	-40.2	174.3	0	0	0	0	0	112.9	T784 A789 A790	T784-A786 PolarHBondContact O-N 3.45Å; A786-A789 PolarHBondContact O-N 2.84Å; A786-A790 PolarHBondContact O-N 3.05Å
787	Q	86.4	Confident	84.4	Confident	89 Å²	89	63.7 Å²	63.7	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-71	-37.2	175.1	-70.9	163.4	-56.8	0	0	111.9	L783 T784 A789 A790 Y791	L783-Q787 HydrophobicContact CB-CB 4.19Å; L783-Q787 HydrophobicContact CD2-CB 4.06Å; T784-Q787 PolarHBondContact O-N 3.46Å; T784-Q787 WeakPolarHBondContact OG1-CG 3.44Å; T784-Q787 PolarHBondContact OG1-N 2.86Å; T784-Q787 PolarHBondContact OG1-OE1 3.14Å; Q787-A789 VanDerWaalsContact C-N 3.35Å; Q787-A790 WeakPolarHBondContact O-CB 3.24Å; Q787-A790 PolarHBondContact O-N 2.67Å; Q787-A790 VanDerWaalsContact O-N 3.17Å; Q787-Y791 WeakPolarHBondContact O-CD2 3.46Å; Q787-Y791 PolarHBondContact O-N 3.2Å; Q787-Y791 VanDerWaalsContact O-N 3.11Å
788	I	87.8	Confident	83.5	Confident	11 Å²	11	68.3 Å²	68.3	6%	0.056	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-45.5	172.6	-69.9	171.9	0	0	0	110	W773 R774 A777 E778 L783 T784 S785 A790 Y791 E792	W773-I788 HydrophobicContact CH2-CB 4.27Å; W773-I788 HydrophobicContact CH2-CG1 4.37Å; W773-I788 HydrophobicContact CH2-CG2 3.79Å; W773-I788 HydrophobicContact CZ2-CG2 3.73Å; R774-I788 HydrophobicContact CB-CG2 4.4Å; R774-I788 HydrophobicContact CG-CG2 3.87Å; A777-I788 HydrophobicContact CB-CD1 4.1Å; A777-I788 HydrophobicContact CB-CG1 4.07Å; E778-I788 HydrophobicContact CG-CD1 3.89Å; L783-I788 HydrophobicContact CB-CG1 4.03Å; T784-I788 WeakPolarHBondContact O-CG1 3.44Å; T784-I788 PolarHBondContact O-N 2.8Å; S785-I788 PolarHBondContact O-N 3.35Å; I788-A790 VanDerWaalsContact C-N 3.28Å; I788-A790 PolarHBondContact O-N 3.19Å; I788-Y791 PolarHBondContact O-N 2.94Å; I788-E792 PolarHBondContact O-N 3.23Å; I788-E792 VanDerWaalsContact O-N 3.14Å
789	A	86.2	Confident	82.8	Confident	38 Å²	38	69.6 Å²	69.6	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-33.3	173.8	0	0	0	0	0	113	S785 A786 Q787 E792 A793	S785-A789 WeakPolarHBondContact O-CB 3.43Å; S785-A789 PolarHBondContact O-N 2.78Å; A786-A789 PolarHBondContact O-N 2.84Å; Q787-A789 VanDerWaalsContact C-N 3.35Å; A789-E792 PolarHBondContact O-N 3.2Å; A789-E792 VanDerWaalsContact O-N 3.16Å; A789-A793 PolarHBondContact O-N 3.41Å
790	A	87.3	Confident	82.3	Confident	65 Å²	65	70.3 Å²	70.3	54%	0.537	41%	0.411	S	S	.	.	H	α-helix	trans	-68.3	-34.6	175.5	0	0	0	0	0	113.4	A786 Q787 I788 E792 P794	A786-A790 PolarHBondContact O-N 3.05Å; Q787-A790 WeakPolarHBondContact O-CB 3.24Å; Q787-A790 PolarHBondContact O-N 2.67Å; Q787-A790 VanDerWaalsContact O-N 3.17Å; I788-A790 VanDerWaalsContact C-N 3.28Å; I788-A790 PolarHBondContact O-N 3.19Å; A790-E792 VanDerWaalsContact C-N 3.31Å; A790-P794 WeakPolarHBondContact O-CD 3.46Å
791	Y	87.3	Confident	82.1	Confident	67 Å²	67	75.8 Å²	75.8	26%	0.263	44%	0.436	S	S	.	.	H	α-helix	trans	-70.7	-25.2	169	-81.2	-78.6	0	0	0	112.7	W773 L783 Q787 I788 H795 D813 F814 A817	W773-Y791 HydrophobicContact CH2-CG 4.37Å; L783-Y791 HydrophobicContact CD1-CD2 4.1Å; L783-Y791 HydrophobicContact CD1-CE2 3.69Å; Q787-Y791 WeakPolarHBondContact O-CD2 3.46Å; Q787-Y791 PolarHBondContact O-N 3.2Å; Q787-Y791 VanDerWaalsContact O-N 3.11Å; I788-Y791 PolarHBondContact O-N 2.94Å; Y791-H795 PolarHBondContact O-CD2 3.18Å; Y791-D813 HydrophobicContact CD1-CB 4.22Å; Y791-F814 HydrophobicContact CD1-CB 4.24Å; Y791-F814 HydrophobicContact CE1-CB 4.22Å; Y791-F814 HydrophobicContact CE2-CD2 4.34Å; Y791-A817 HydrophobicContact CE1-CB 4.49Å
792	E	89	Confident	82.4	Confident	12 Å²	12	74.9 Å²	74.9	6%	0.056	43%	0.425	C	S	.	.	H	α-helix	trans	-82.9	-31.8	176.4	-69.9	-172.5	-179.1	0	0	113.5	W773 R774 I788 A789 A790 P794 H795 R796 V802 P810	W773-E792 HydrophobicContact CZ2-CG 3.77Å; W773-E792 WeakPolarHBondContact CZ2-OE1 3.13Å; W773-E792 PolarHBondContact NE1-OE1 2.96Å; R774-E792 IonicContact CZ-OE1 3.77Å; R774-E792 IonicContact CZ-OE2 2.86Å; R774-E792 IonicContact NE-OE1 2.73Å; R774-E792 PolarHBondContact NE-OE1 2.94Å; R774-E792 IonicContact NE-OE2 3.83Å; R774-E792 IonicContact NH2-OE1 3.81Å; R774-E792 PolarHBondContact NH2-OE1 3.49Å; R774-E792 IonicContact NH2-OE2 3.76Å; R774-E792 PolarHBondContact NH2-OE2 2.87Å; I788-E792 PolarHBondContact O-N 3.23Å; I788-E792 VanDerWaalsContact O-N 3.14Å; A789-E792 PolarHBondContact O-N 3.2Å; A789-E792 VanDerWaalsContact O-N 3.16Å; A790-E792 VanDerWaalsContact C-N 3.31Å; E792-P794 VanDerWaalsContact C-CD 3.46Å; E792-H795 CarbonylContact O-C 3.54Å; E792-H795 WeakPolarHBondContact O-CA 3.32Å; E792-H795 PolarHBondContact O-N 3.28Å; E792-R796 PolarHBondContact O-N 2.94Å; E792-V802 HydrophobicContact CB-CG2 3.79Å; E792-V802 HydrophobicContact CG-CG2 4.17Å; E792-P810 HydrophobicContact CG-CB 4.04Å; E792-P810 HydrophobicContact CG-CG 4Å
793	A	85.6	Confident	82.2	Confident	58 Å²	58	69.4 Å²	69.4	48%	0.479	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-51.9	-41.1	-174	0	0	0	0	0	115.1	A789 H795	A789-A793 PolarHBondContact O-N 3.41Å; A793-H795 PolarHBondContact O-N 3.49Å
794	P	85.7	Confident	81.6	Confident	99 Å²	99	75 Å²	75	64%	0.643	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.2	175.2	-22.1	34.6	0	0	0	114.5	A790 E792	A790-P794 WeakPolarHBondContact O-CD 3.46Å; E792-P794 VanDerWaalsContact C-CD 3.46Å
795	H	83.1	Confident	81	Confident	43 Å²	43	79.8 Å²	79.8	20%	0.199	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-109.6	2.4	-173.1	-58.5	-73.2	0	0	0	113.8	Y791 E792 A793 V802 K809 P810 D813	Y791-H795 PolarHBondContact O-CD2 3.18Å; E792-H795 CarbonylContact O-C 3.54Å; E792-H795 WeakPolarHBondContact O-CA 3.32Å; E792-H795 PolarHBondContact O-N 3.28Å; A793-H795 PolarHBondContact O-N 3.49Å; H795-V802 HydrophobicContact CB-CG1 4.31Å; H795-V802 HydrophobicContact CB-CG2 4.26Å; H795-K809 VanDerWaalsContact CE1-CB 3.45Å; H795-K809 WeakPolarHBondContact CE1-CB 3.39Å; H795-K809 WeakPolarHBondContact ND1-CB 3.33Å; H795-K809 WeakPolarHBondContact ND1-CD 3.3Å; H795-P810 HydrophobicContact CB-CG 4.05Å; H795-D813 IonicContact CD2-OD2 2.64Å; H795-D813 IonicContact CE1-OD2 3.98Å; H795-D813 PolarHBondContact CE1-OD2 3.14Å; H795-D813 IonicContact NE2-OD2 2.92Å; H795-D813 PolarHBondContact NE2-OD2 2.65Å
796	R	81.8	Confident	80.8	Confident	91 Å²	91	76.2 Å²	76.2	34%	0.343	43%	0.427	S	S	.	.			trans	-67.8	136	176.7	-72.7	177	171.2	-143.7	-12.8	111	E792 D800 V802	E792-R796 PolarHBondContact O-N 2.94Å; R796-D800 WeakPolarHBondContact CD-O 3.49Å; R796-D800 WeakPolarHBondContact CD-OD1 3.5Å; R796-D800 VanDerWaalsContact CG-O 3.31Å; R796-D800 WeakPolarHBondContact CG-O 3.35Å; R796-D800 IonicContact CZ-OD1 2.67Å; R796-D800 IonicContact CZ-OD2 3.71Å; R796-D800 PolarHBondContact NE-O 3.25Å; R796-D800 IonicContact NE-OD1 2.6Å; R796-D800 PolarHBondContact NH1-O 3.18Å; R796-D800 IonicContact NH1-OD1 2.65Å; R796-D800 PolarHBondContact NH1-OD1 2.85Å; R796-D800 IonicContact NH1-OD2 2.75Å; R796-D800 PolarHBondContact NH1-OD2 3.37Å; R796-V802 HydrophobicContact CG-CG2 3.91Å
797	G	75.3	Confident	80.8	Confident	44 Å²	44	73.5 Å²	73.5	45%	0.454	40%	0.403	S	S	.	.			trans	-78.4	-175.6	174.6	0	0	0	0	0	112.6	N799 D800 E801	G797-N799 PolarHBondContact O-N 3.01Å; G797-D800 PolarHBondContact O-N 2.85Å; G797-E801 PolarHBondContact N-O 3.15Å
798	K	69.9	Low	80.9	Confident	97 Å²	97	73.3 Å²	73.3	42%	0.422	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	3.7	178.3	-50.8	-156.5	-175.6	-161.1	0	114.4	S166 D167 K194	S166-K798 VanDerWaalsContact C-CE 3.48Å; S166-K798 WeakPolarHBondContact O-CE 3.49Å; S166-K798 PolarHBondContact O-NZ 2.74Å; D167-K798 WeakPolarHBondContact O-CE 3.26Å; D167-K798 PolarHBondContact O-NZ 3.24Å; K194-K798 PolarHBondContact O-NZ 3Å
799	N	71.6	Confident	80.9	Confident	137 Å²	137	76.7 Å²	76.7	73%	0.733	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	11.8	176.1	-61.4	28.3	0	0	0	112.1	G797 E801	G797-N799 PolarHBondContact O-N 3.01Å; N799-E801 PolarHBondContact O-N 2.89Å
800	D	72.1	Confident	81.2	Confident	105 Å²	105	74.9 Å²	74.9	56%	0.561	40%	0.398	S	S	*	.	S	Bend	trans	62.5	0	-173.3	-161.5	46.1	0	0	0	116.1	R796 G797	R796-D800 WeakPolarHBondContact CD-O 3.49Å; R796-D800 WeakPolarHBondContact CD-OD1 3.5Å; R796-D800 VanDerWaalsContact CG-O 3.31Å; R796-D800 WeakPolarHBondContact CG-O 3.35Å; R796-D800 IonicContact CZ-OD1 2.67Å; R796-D800 IonicContact CZ-OD2 3.71Å; R796-D800 PolarHBondContact NE-O 3.25Å; R796-D800 IonicContact NE-OD1 2.6Å; R796-D800 PolarHBondContact NH1-O 3.18Å; R796-D800 IonicContact NH1-OD1 2.65Å; R796-D800 PolarHBondContact NH1-OD1 2.85Å; R796-D800 IonicContact NH1-OD2 2.75Å; R796-D800 PolarHBondContact NH1-OD2 3.37Å; G797-D800 PolarHBondContact O-N 2.85Å
801	E	74.7	Confident	81.3	Confident	150 Å²	150	71.8 Å²	71.8	70%	0.701	37%	0.372	S	S	*	.	S	Bend	trans	-100.3	147.1	172.9	-63.6	-168.6	143.8	0	0	113	G797 N799	G797-E801 PolarHBondContact N-O 3.15Å; N799-E801 PolarHBondContact O-N 2.89Å
802	V	79.4	Confident	81.6	Confident	10 Å²	10	71.3 Å²	71.3	6%	0.061	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-80.9	125.9	164.6	-176.1	0	0	0	0	108.3	E792 H795 R796 M807 P810	E792-V802 HydrophobicContact CB-CG2 3.79Å; E792-V802 HydrophobicContact CG-CG2 4.17Å; H795-V802 HydrophobicContact CB-CG1 4.31Å; H795-V802 HydrophobicContact CB-CG2 4.26Å; R796-V802 HydrophobicContact CG-CG2 3.91Å; V802-M807 HydrophobicContact CB-CE 3.93Å; V802-M807 HydrophobicContact CB-SD 4Å; V802-M807 HydrophobicContact CG1-CE 4.33Å; V802-M807 HydrophobicContact CG1-CG 4.29Å; V802-M807 HydrophobicContact CG1-SD 3.86Å; V802-M807 WeakPolarHBondContact O-CE 3.29Å; V802-P810 HydrophobicContact CG1-CG 4.37Å
803	S	78.4	Confident	81.7	Confident	66 Å²	66	73.6 Å²	73.6	46%	0.462	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66.1	144.5	177.5	69.1	0	0	0	0	111.1	Q805 S806 M807	S803-Q805 PolarHBondContact O-N 3.29Å; S803-Q805 VanDerWaalsContact O-N 3.11Å; S803-S806 WeakPolarHBondContact O-CA 3.2Å; S803-S806 PolarHBondContact O-N 2.9Å; S803-S806 PolarHBondContact OG-OG 3.05Å; S803-M807 PolarHBondContact O-N 3.2Å
804	Q	73.9	Confident	82	Confident	147 Å²	147	71.1 Å²	71.1	69%	0.687	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-55.2	-36.2	-176	-62.4	-174.1	-2.5	0	0	112.8	I771 S806 M807	I771-Q804 HydrophobicContact CD1-CB 4.14Å; I771-Q804 HydrophobicContact CD1-CG 3.84Å; I771-Q804 HydrophobicContact CG1-CB 4.42Å; I771-Q804 HydrophobicContact CG1-CG 4.36Å; Q804-S806 VanDerWaalsContact C-N 3.25Å; Q804-S806 PolarHBondContact O-N 3.43Å; Q804-M807 PolarHBondContact O-N 3.44Å
805	Q	73.5	Confident	82.3	Confident	174 Å²	174	66.5 Å²	66.5	81%	0.813	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-71.1	-12.3	175.6	-65.7	175.8	-14	0	0	114.4	S803 W808	S803-Q805 PolarHBondContact O-N 3.29Å; S803-Q805 VanDerWaalsContact O-N 3.11Å; Q805-W808 PolarHBondContact O-NE1 3.18Å
806	S	82.9	Confident	82.7	Confident	29 Å²	29	69.4 Å²	69.4	20%	0.203	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-105.9	-5.1	177.3	-53.4	0	0	0	0	113.6	S803 Q804 W808 K809 P810	S803-S806 WeakPolarHBondContact O-CA 3.2Å; S803-S806 PolarHBondContact O-N 2.9Å; S803-S806 PolarHBondContact OG-OG 3.05Å; Q804-S806 VanDerWaalsContact C-N 3.25Å; Q804-S806 PolarHBondContact O-N 3.43Å; S806-W808 PolarHBondContact O-N 3.03Å; S806-W808 VanDerWaalsContact O-N 3.08Å; S806-K809 PolarHBondContact O-N 3.18Å; S806-P810 WeakPolarHBondContact O-CD 3.29Å
807	M	85.1	Confident	83.2	Confident	12 Å²	12	67 Å²	67	6%	0.059	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.2	-177.7	-72.8	-74.3	-173.2	0	0	114.2	I771 V802 S803 Q804 K809 P810 A811	I771-M807 HydrophobicContact CB-CG 4.46Å; I771-M807 HydrophobicContact CG1-CB 4.39Å; I771-M807 HydrophobicContact CG1-CG 3.82Å; V802-M807 HydrophobicContact CB-CE 3.93Å; V802-M807 HydrophobicContact CB-SD 4Å; V802-M807 HydrophobicContact CG1-CE 4.33Å; V802-M807 HydrophobicContact CG1-CG 4.29Å; V802-M807 HydrophobicContact CG1-SD 3.86Å; V802-M807 WeakPolarHBondContact O-CE 3.29Å; S803-M807 PolarHBondContact O-N 3.2Å; Q804-M807 PolarHBondContact O-N 3.44Å; M807-K809 PolarHBondContact O-N 2.9Å; M807-P810 WeakPolarHBondContact O-CD 3.36Å; M807-A811 WeakPolarHBondContact O-CB 3.48Å; M807-A811 PolarHBondContact O-N 3.36Å
808	W	87.5	Confident	83.9	Confident	85 Å²	85	65.4 Å²	65.4	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-19.4	172.4	68.9	-95.9	0	0	0	113.1	L763 A766 V767 Q805 S806 Y812	L763-W808 HydrophobicContact CD1-CE3 4.15Å; L763-W808 HydrophobicContact CD1-CZ3 4Å; A766-W808 WeakPolarHBondContact O-CA 3.49Å; A766-W808 WeakPolarHBondContact O-CB 3.29Å; V767-W808 HydrophobicContact CG2-CB 3.99Å; V767-W808 HydrophobicContact CG2-CD2 4.34Å; V767-W808 HydrophobicContact CG2-CG 4.14Å; Q805-W808 PolarHBondContact O-NE1 3.18Å; S806-W808 PolarHBondContact O-N 3.03Å; S806-W808 VanDerWaalsContact O-N 3.08Å; W808-Y812 VanDerWaalsContact O-CB 3.23Å; W808-Y812 WeakPolarHBondContact O-CB 3.33Å; W808-Y812 PolarHBondContact O-N 3.36Å
809	K	89.5	Confident	84.8	Confident	82 Å²	82	60.9 Å²	60.9	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-75.6	-52.6	179.1	-54.5	177.5	-178.6	179.1	0	112.8	H795 S806 M807 A811 Y812 D813	H795-K809 VanDerWaalsContact CE1-CB 3.45Å; H795-K809 WeakPolarHBondContact CE1-CB 3.39Å; H795-K809 WeakPolarHBondContact ND1-CB 3.33Å; H795-K809 WeakPolarHBondContact ND1-CD 3.3Å; S806-K809 PolarHBondContact O-N 3.18Å; M807-K809 PolarHBondContact O-N 2.9Å; K809-A811 PolarHBondContact O-N 2.68Å; K809-Y812 PolarHBondContact O-N 3.09Å; K809-Y812 VanDerWaalsContact O-N 3.07Å; K809-D813 PolarHBondContact O-N 2.71Å
810	P	90.8	Very high	85.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-53.4	-38.8	167.4	-25.3	32.2	0	0	0	112.9	W773 E792 H795 V802 S806 M807 F814	W773-P810 HydrophobicContact CD2-CB 4.43Å; W773-P810 HydrophobicContact CH2-CB 4.34Å; W773-P810 HydrophobicContact CZ2-CB 3.73Å; E792-P810 HydrophobicContact CG-CB 4.04Å; E792-P810 HydrophobicContact CG-CG 4Å; H795-P810 HydrophobicContact CB-CG 4.05Å; V802-P810 HydrophobicContact CG1-CG 4.37Å; S806-P810 WeakPolarHBondContact O-CD 3.29Å; M807-P810 WeakPolarHBondContact O-CD 3.36Å; P810-F814 VanDerWaalsContact O-CB 3.31Å; P810-F814 WeakPolarHBondContact O-CB 3.46Å; P810-F814 PolarHBondContact O-N 2.73Å
811	A	90.2	Very high	86.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176.3	0	0	0	0	0	112.7	A766 W773 M807 K809 L815	A766-A811 HydrophobicContact CB-CB 3.91Å; W773-A811 HydrophobicContact CB-CB 3.33Å; W773-A811 HydrophobicContact CD2-CB 4.29Å; W773-A811 HydrophobicContact CG-CB 3.65Å; M807-A811 WeakPolarHBondContact O-CB 3.48Å; M807-A811 PolarHBondContact O-N 3.36Å; K809-A811 PolarHBondContact O-N 2.68Å; A811-L815 VanDerWaalsContact O-CB 3.32Å; A811-L815 WeakPolarHBondContact O-CB 3.42Å; A811-L815 VanDerWaalsContact O-CG 3.25Å; A811-L815 WeakPolarHBondContact O-CG 3.35Å; A811-L815 PolarHBondContact O-N 3.29Å
812	Y	92.9	Very high	86.7	Confident	56 Å²	56	57 Å²	57	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-48.7	177.1	179.9	-96.9	0	0	0	111.1	I762 L763 A766 W808 K809 F814 L815 Y816	I762-Y812 HydrophobicContact CG2-CD2 3.79Å; I762-Y812 HydrophobicContact CG2-CE2 3.72Å; L763-Y812 HydrophobicContact CB-CD2 4.21Å; L763-Y812 HydrophobicContact CB-CE2 4.04Å; L763-Y812 HydrophobicContact CD1-CD2 3.9Å; L763-Y812 HydrophobicContact CD1-CE2 4.2Å; A766-Y812 HydrophobicContact CB-CD2 4.48Å; W808-Y812 VanDerWaalsContact O-CB 3.23Å; W808-Y812 WeakPolarHBondContact O-CB 3.33Å; W808-Y812 PolarHBondContact O-N 3.36Å; K809-Y812 PolarHBondContact O-N 3.09Å; K809-Y812 VanDerWaalsContact O-N 3.07Å; Y812-F814 VanDerWaalsContact C-N 3.32Å; Y812-F814 PolarHBondContact O-N 3.02Å; Y812-L815 PolarHBondContact O-N 3.02Å; Y812-Y816 VanDerWaalsContact O-CB 3.22Å; Y812-Y816 WeakPolarHBondContact O-CB 3.36Å; Y812-Y816 PolarHBondContact O-N 2.84Å
813	D	91.6	Very high	86.7	Confident	60 Å²	60	58.4 Å²	58.4	32%	0.321	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-41.5	179.8	-65	-8.8	0	0	0	111.3	Y791 H795 K809 A817	Y791-D813 HydrophobicContact CD1-CB 4.22Å; H795-D813 IonicContact CD2-OD2 2.64Å; H795-D813 IonicContact CE1-OD2 3.98Å; H795-D813 PolarHBondContact CE1-OD2 3.14Å; H795-D813 IonicContact NE2-OD2 2.92Å; H795-D813 PolarHBondContact NE2-OD2 2.65Å; K809-D813 PolarHBondContact O-N 2.71Å; D813-A817 VanDerWaalsContact O-CB 3.26Å; D813-A817 WeakPolarHBondContact O-CB 3.39Å; D813-A817 PolarHBondContact O-N 3.35Å
814	F	92.8	Very high	86.5	Confident	7 Å²	7	61.8 Å²	61.8	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-50.6	172.4	166.7	-108.8	0	0	0	112.3	W773 A777 M780 L783 Y791 P810 Y812 Y816 A817 W818	W773-F814 HydrophobicContact CE3-CB 3.95Å; W773-F814 HydrophobicContact CE3-CD1 4.05Å; W773-F814 HydrophobicContact CE3-CG 4.1Å; W773-F814 HydrophobicContact CZ3-CB 3.71Å; W773-F814 HydrophobicContact CZ3-CD1 4.31Å; W773-F814 AromaticContact CZ3-CG 3.92Å; W773-F814 HydrophobicContact CZ3-CG 3.92Å; A777-F814 HydrophobicContact CB-CD1 4.42Å; A777-F814 HydrophobicContact CB-CE1 4.23Å; A777-F814 HydrophobicContact CB-CE2 4.37Å; A777-F814 HydrophobicContact CB-CZ 4.21Å; M780-F814 HydrophobicContact CB-CZ 4.34Å; L783-F814 HydrophobicContact CD1-CD2 3.57Å; L783-F814 HydrophobicContact CD1-CE2 3.55Å; L783-F814 HydrophobicContact CG-CE2 4.4Å; Y791-F814 HydrophobicContact CD1-CB 4.24Å; Y791-F814 HydrophobicContact CE1-CB 4.22Å; Y791-F814 HydrophobicContact CE2-CD2 4.34Å; P810-F814 VanDerWaalsContact O-CB 3.31Å; P810-F814 WeakPolarHBondContact O-CB 3.46Å; P810-F814 PolarHBondContact O-N 2.73Å; Y812-F814 VanDerWaalsContact C-N 3.32Å; Y812-F814 PolarHBondContact O-N 3.02Å; F814-Y816 VanDerWaalsContact C-N 3.33Å; F814-Y816 PolarHBondContact O-N 3.19Å; F814-A817 PolarHBondContact O-N 3.32Å; F814-W818 HydrophobicContact CE2-CB 4.47Å; F814-W818 HydrophobicContact CZ-CB 4.49Å; F814-W818 WeakPolarHBondContact O-CB 3.3Å; F814-W818 PolarHBondContact O-N 3.12Å
815	L	92	Very high	87.1	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-33.5	-177.9	-74.5	172.9	0	0	0	112.3	I762 T765 A766 L769 L776 A811 Y812 W818 S819 L833	I762-L815 HydrophobicContact CG2-CB 3.91Å; T765-L815 HydrophobicContact CG2-CD1 3.85Å; A766-L815 HydrophobicContact CB-CD1 4.21Å; L769-L815 HydrophobicContact CD1-CD1 3.99Å; L776-L815 HydrophobicContact CD2-CD2 4.11Å; A811-L815 VanDerWaalsContact O-CB 3.32Å; A811-L815 WeakPolarHBondContact O-CB 3.42Å; A811-L815 VanDerWaalsContact O-CG 3.25Å; A811-L815 WeakPolarHBondContact O-CG 3.35Å; A811-L815 PolarHBondContact O-N 3.29Å; Y812-L815 PolarHBondContact O-N 3.02Å; L815-W818 HydrophobicContact CD2-CE3 4.31Å; L815-W818 PolarHBondContact O-N 2.89Å; L815-S819 WeakPolarHBondContact O-CB 3.39Å; L815-S819 PolarHBondContact O-N 2.94Å; L815-S819 PolarHBondContact O-OG 3.2Å; L815-L833 HydrophobicContact CD2-CD1 3.74Å
816	Y	91.8	Very high	87.6	Confident	105 Å²	105	50 Å²	50	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-68.6	-49.6	174.4	-175.7	-101.3	0	0	0	111.4	Y812 F814 W818 S819 L820	Y812-Y816 VanDerWaalsContact O-CB 3.22Å; Y812-Y816 WeakPolarHBondContact O-CB 3.36Å; Y812-Y816 PolarHBondContact O-N 2.84Å; F814-Y816 VanDerWaalsContact C-N 3.33Å; F814-Y816 PolarHBondContact O-N 3.19Å; Y816-W818 PolarHBondContact O-N 3.45Å; Y816-S819 WeakPolarHBondContact CA-OG 3.32Å; Y816-S819 PolarHBondContact O-N 3.05Å; Y816-S819 VanDerWaalsContact O-N 3.13Å; Y816-S819 PolarHBondContact O-OG 3.16Å; Y816-L820 HydrophobicContact CD1-CD1 4.36Å; Y816-L820 HydrophobicContact CE1-CD1 4.04Å; Y816-L820 HydrophobicContact CE1-CG 4.47Å; Y816-L820 WeakPolarHBondContact O-CG 3.42Å; Y816-L820 PolarHBondContact O-N 3.2Å; Y816-L820 VanDerWaalsContact O-N 3.17Å
817	A	90.6	Very high	87.8	Confident	39 Å²	39	50.8 Å²	50.8	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-33.8	174.3	0	0	0	0	0	112.4	Y791 D813 F814	Y791-A817 HydrophobicContact CE1-CB 4.49Å; D813-A817 VanDerWaalsContact O-CB 3.26Å; D813-A817 WeakPolarHBondContact O-CB 3.39Å; D813-A817 PolarHBondContact O-N 3.35Å; F814-A817 PolarHBondContact O-N 3.32Å
818	W	90.4	Very high	88	Confident	11 Å²	11	54.3 Å²	54.3	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-71.5	-37.8	173.9	170.6	85.5	0	0	0	113	M780 F814 L815 Y816 R821 Y822 M829 E832 L833	M780-W818 HydrophobicContact CE-CD2 4.1Å; M780-W818 HydrophobicContact CE-CH2 3.72Å; M780-W818 HydrophobicContact CE-CZ2 3.15Å; M780-W818 HydrophobicContact CE-CZ3 4.36Å; F814-W818 HydrophobicContact CE2-CB 4.47Å; F814-W818 HydrophobicContact CZ-CB 4.49Å; F814-W818 WeakPolarHBondContact O-CB 3.3Å; F814-W818 PolarHBondContact O-N 3.12Å; L815-W818 HydrophobicContact CD2-CE3 4.31Å; L815-W818 PolarHBondContact O-N 2.89Å; Y816-W818 PolarHBondContact O-N 3.45Å; W818-R821 WeakPolarHBondContact O-CB 3.38Å; W818-R821 VanDerWaalsContact O-CG 3.28Å; W818-R821 WeakPolarHBondContact O-CG 3.39Å; W818-R821 PolarHBondContact O-N 2.8Å; W818-R821 PolarHBondContact O-NE 2.78Å; W818-R821 VanDerWaalsContact O-NE 3.13Å; W818-Y822 HydrophobicContact CD2-CE2 4.08Å; W818-Y822 AromaticContact CE2-CE2 3.57Å; W818-Y822 AromaticContact CE2-CZ 3.91Å; W818-Y822 HydrophobicContact CE3-CE2 4.44Å; W818-Y822 AromaticContact CH2-CE2 3.86Å; W818-Y822 HydrophobicContact CH2-CE2 3.86Å; W818-Y822 AromaticContact CZ2-CE2 3.44Å; W818-Y822 HydrophobicContact CZ2-CE2 3.44Å; W818-Y822 VanDerWaalsContact CZ2-CE2 3.44Å; W818-Y822 AromaticContact CZ2-CZ 3.5Å; W818-Y822 WeakPolarHBondContact CZ2-OH 3.49Å; W818-Y822 HydrophobicContact CZ3-CE2 4.35Å; W818-Y822 PolarHBondContact NE1-OH 3.05Å; W818-Y822 WeakPolarHBondContact O-CE2 3.47Å; W818-M829 HydrophobicContact CE3-CG 4.45Å; W818-M829 HydrophobicContact CH2-CG 3.63Å; W818-M829 WeakPolarHBondContact CH2-O 3.34Å; W818-M829 HydrophobicContact CZ3-CG 3.47Å; W818-M829 VanDerWaalsContact CZ3-CG 3.47Å; W818-M829 HydrophobicContact CZ3-SD 4.21Å; W818-E832 HydrophobicContact CZ2-CB 4.21Å; W818-L833 HydrophobicContact CH2-CB 3.82Å; W818-L833 HydrophobicContact CH2-CD1 4.48Å; W818-L833 HydrophobicContact CZ3-CB 4.14Å; W818-L833 HydrophobicContact CZ3-CD1 4.29Å
819	S	89.4	Confident	88.2	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-31.2	-178.7	59.9	0	0	0	0	113.8	I762 L815 Y816 R821 Y822 M829	I762-S819 VanDerWaalsContact CD1-OG 3.26Å; I762-S819 WeakPolarHBondContact CD1-OG 3.34Å; L815-S819 WeakPolarHBondContact O-CB 3.39Å; L815-S819 PolarHBondContact O-N 2.94Å; L815-S819 PolarHBondContact O-OG 3.2Å; Y816-S819 WeakPolarHBondContact CA-OG 3.32Å; Y816-S819 PolarHBondContact O-N 3.05Å; Y816-S819 VanDerWaalsContact O-N 3.13Å; Y816-S819 PolarHBondContact O-OG 3.16Å; S819-R821 PolarHBondContact O-N 3.29Å; S819-Y822 PolarHBondContact O-N 2.7Å; S819-M829 WeakPolarHBondContact CB-SD 3.35Å
820	L	88.1	Confident	88.3	Confident	113 Å²	113	46.3 Å²	46.3	59%	0.592	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-57.1	-18.5	177.4	-71.2	171.7	0	0	0	113.4	Y816 Y822	Y816-L820 HydrophobicContact CD1-CD1 4.36Å; Y816-L820 HydrophobicContact CE1-CD1 4.04Å; Y816-L820 HydrophobicContact CE1-CG 4.47Å; Y816-L820 WeakPolarHBondContact O-CG 3.42Å; Y816-L820 PolarHBondContact O-N 3.2Å; Y816-L820 VanDerWaalsContact O-N 3.17Å; L820-Y822 VanDerWaalsContact C-N 3.29Å; L820-Y822 PolarHBondContact O-N 2.58Å
821	R	86.7	Confident	88.3	Confident	157 Å²	157	47.1 Å²	47.1	59%	0.592	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-73.6	-14.9	178.6	-50.8	-177.5	-47.9	147.5	20.4	114.2	W818 S819	W818-R821 WeakPolarHBondContact O-CB 3.38Å; W818-R821 VanDerWaalsContact O-CG 3.28Å; W818-R821 WeakPolarHBondContact O-CG 3.39Å; W818-R821 PolarHBondContact O-N 2.8Å; W818-R821 PolarHBondContact O-NE 2.78Å; W818-R821 VanDerWaalsContact O-NE 3.13Å; S819-R821 PolarHBondContact O-N 3.29Å
822	Y	82.8	Confident	88.3	Confident	39 Å²	39	51.5 Å²	51.5	15%	0.153	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-102.1	-9.5	-176.7	-59.3	-94.3	0	0	0	112.9	W818 S819 L820 D824 S825 D828 M829 E832	W818-Y822 HydrophobicContact CD2-CE2 4.08Å; W818-Y822 AromaticContact CE2-CE2 3.57Å; W818-Y822 AromaticContact CE2-CZ 3.91Å; W818-Y822 HydrophobicContact CE3-CE2 4.44Å; W818-Y822 AromaticContact CH2-CE2 3.86Å; W818-Y822 HydrophobicContact CH2-CE2 3.86Å; W818-Y822 AromaticContact CZ2-CE2 3.44Å; W818-Y822 HydrophobicContact CZ2-CE2 3.44Å; W818-Y822 VanDerWaalsContact CZ2-CE2 3.44Å; W818-Y822 AromaticContact CZ2-CZ 3.5Å; W818-Y822 WeakPolarHBondContact CZ2-OH 3.49Å; W818-Y822 HydrophobicContact CZ3-CE2 4.35Å; W818-Y822 PolarHBondContact NE1-OH 3.05Å; W818-Y822 WeakPolarHBondContact O-CE2 3.47Å; S819-Y822 PolarHBondContact O-N 2.7Å; L820-Y822 VanDerWaalsContact C-N 3.29Å; L820-Y822 PolarHBondContact O-N 2.58Å; Y822-D824 PolarHBondContact O-N 2.91Å; Y822-S825 PolarHBondContact O-N 2.71Å; Y822-D828 HydrophobicContact CD1-CB 4.21Å; Y822-M829 HydrophobicContact CD1-CB 4.28Å; Y822-M829 HydrophobicContact CD2-CB 4.15Å; Y822-M829 HydrophobicContact CD2-CG 3.94Å; Y822-M829 HydrophobicContact CE2-CG 4.42Å; Y822-M829 HydrophobicContact CG-CB 3.89Å; Y822-M829 HydrophobicContact CG-CG 4.21Å; Y822-E832 HydrophobicContact CE1-CG 4.32Å; Y822-E832 WeakPolarHBondContact CE1-OE2 3.48Å; Y822-E832 PolarHBondContact OH-OE2 3.2Å
823	G	79.3	Confident	88.2	Confident	41 Å²	41	48.8 Å²	48.8	42%	0.423	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-127.1	-173.5	0	0	0	0	0	111.2	S825	G823-S825 VanDerWaalsContact C-N 3.31Å; G823-S825 PolarHBondContact O-N 2.79Å
824	D	75.8	Confident	88.2	Confident	137 Å²	137	46 Å²	46	73%	0.733	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.2	-180	-51	-67.6	0	0	0	114.1	Y822 H826	Y822-D824 PolarHBondContact O-N 2.91Å; D824-H826 PolarHBondContact O-N 3.41Å; D824-H826 PolarHBondContact O-ND1 3.47Å
825	S	85.1	Confident	88	Confident	40 Å²	40	46.2 Å²	46.2	28%	0.28	24%	0.236	S	C	.	.			trans	-77	67.8	176.2	-164.9	0	0	0	0	112.4	Y822 G823 K827 D828 M829	Y822-S825 PolarHBondContact O-N 2.71Å; G823-S825 VanDerWaalsContact C-N 3.31Å; G823-S825 PolarHBondContact O-N 2.79Å; S825-K827 PolarHBondContact O-N 2.99Å; S825-D828 PolarHBondContact O-N 2.94Å; S825-D828 WeakPolarHBondContact OG-CB 3.34Å; S825-D828 PolarHBondContact OG-N 3.41Å; S825-D828 PolarHBondContact OG-OD2 2.94Å; S825-M829 WeakPolarHBondContact O-CB 3.47Å; S825-M829 PolarHBondContact O-N 2.72Å
826	H	83.6	Confident	87.8	Confident	32 Å²	32	46.6 Å²	46.6	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-31.7	171.3	63.6	-75.4	0	0	0	112.1	D824 I830 V858	D824-H826 PolarHBondContact O-N 3.41Å; D824-H826 PolarHBondContact O-ND1 3.47Å; H826-I830 WeakPolarHBondContact O-CB 3.49Å; H826-I830 WeakPolarHBondContact O-CD1 3.36Å; H826-I830 VanDerWaalsContact O-CG1 3.23Å; H826-I830 WeakPolarHBondContact O-CG1 3.47Å; H826-I830 PolarHBondContact O-N 3.29Å; H826-V858 VanDerWaalsContact CD2-CG1 3.44Å; H826-V858 WeakPolarHBondContact CD2-CG1 3.47Å
827	K	88	Confident	87.6	Confident	47 Å²	47	41.7 Å²	41.7	20%	0.204	22%	0.22	C	C	.	.	H	α-helix	trans	-56	-58	170.8	-75.1	-173.9	177.7	-173.7	0	111.5	S825 I830 Q831 V858 D862	S825-K827 PolarHBondContact O-N 2.99Å; K827-I830 PolarHBondContact O-N 3.29Å; K827-Q831 VanDerWaalsContact O-CB 3.29Å; K827-Q831 WeakPolarHBondContact O-CB 3.48Å; K827-Q831 PolarHBondContact O-N 2.93Å; K827-V858 HydrophobicContact CB-CG1 4.19Å; K827-V858 WeakPolarHBondContact CE-O 3.36Å; K827-V858 HydrophobicContact CG-CG1 3.58Å; K827-D862 WeakPolarHBondContact CE-OD2 3.09Å; K827-D862 IonicContact NZ-OD2 2.86Å; K827-D862 PolarHBondContact NZ-OD2 3.4Å
828	D	89.8	Confident	87.4	Confident	85 Å²	85	40.5 Å²	40.5	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-41.8	-179.2	-71	-51.3	0	0	0	112	Y822 S825 I830 Q831 E832	Y822-D828 HydrophobicContact CD1-CB 4.21Å; S825-D828 PolarHBondContact O-N 2.94Å; S825-D828 WeakPolarHBondContact OG-CB 3.34Å; S825-D828 PolarHBondContact OG-N 3.41Å; S825-D828 PolarHBondContact OG-OD2 2.94Å; D828-I830 PolarHBondContact O-N 2.93Å; D828-Q831 PolarHBondContact O-N 3.28Å; D828-E832 WeakPolarHBondContact O-CG 3.46Å; D828-E832 PolarHBondContact O-N 3.2Å
829	M	91.9	Very high	87.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-50.3	178.3	-171.2	-152.6	67.8	0	0	111.3	Q758 I762 W818 S819 Y822 S825 Q831 E832 L833	Q758-M829 HydrophobicContact CB-CE 4.33Å; Q758-M829 HydrophobicContact CG-CE 3.77Å; Q758-M829 HydrophobicContact CG-SD 3.81Å; I762-M829 HydrophobicContact CD1-SD 4.24Å; I762-M829 HydrophobicContact CG1-SD 4.46Å; W818-M829 HydrophobicContact CE3-CG 4.45Å; W818-M829 HydrophobicContact CH2-CG 3.63Å; W818-M829 WeakPolarHBondContact CH2-O 3.34Å; W818-M829 HydrophobicContact CZ3-CG 3.47Å; W818-M829 VanDerWaalsContact CZ3-CG 3.47Å; W818-M829 HydrophobicContact CZ3-SD 4.21Å; S819-M829 WeakPolarHBondContact CB-SD 3.35Å; Y822-M829 HydrophobicContact CD1-CB 4.28Å; Y822-M829 HydrophobicContact CD2-CB 4.15Å; Y822-M829 HydrophobicContact CD2-CG 3.94Å; Y822-M829 HydrophobicContact CE2-CG 4.42Å; Y822-M829 HydrophobicContact CG-CB 3.89Å; Y822-M829 HydrophobicContact CG-CG 4.21Å; S825-M829 WeakPolarHBondContact O-CB 3.47Å; S825-M829 PolarHBondContact O-N 2.72Å; M829-Q831 VanDerWaalsContact C-N 3.32Å; M829-Q831 PolarHBondContact O-N 3.47Å; M829-E832 PolarHBondContact O-N 3.28Å; M829-L833 VanDerWaalsContact O-CB 3.29Å; M829-L833 WeakPolarHBondContact O-CB 3.32Å; M829-L833 PolarHBondContact O-N 2.92Å
830	I	91.6	Very high	86.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-35.7	-178.5	-63.4	164.8	0	0	0	110.3	I757 V761 H826 K827 D828 H834 L851 V854 L855 V858	I757-I830 HydrophobicContact CG2-CD1 3.68Å; V761-I830 HydrophobicContact CG1-CG1 4.43Å; V761-I830 HydrophobicContact CG2-CD1 4.48Å; H826-I830 WeakPolarHBondContact O-CB 3.49Å; H826-I830 WeakPolarHBondContact O-CD1 3.36Å; H826-I830 VanDerWaalsContact O-CG1 3.23Å; H826-I830 WeakPolarHBondContact O-CG1 3.47Å; H826-I830 PolarHBondContact O-N 3.29Å; K827-I830 PolarHBondContact O-N 3.29Å; D828-I830 PolarHBondContact O-N 2.93Å; I830-H834 VanDerWaalsContact O-CB 3.22Å; I830-H834 WeakPolarHBondContact O-CB 3.42Å; I830-H834 PolarHBondContact O-N 3.29Å; I830-L851 HydrophobicContact CG2-CD1 4.22Å; I830-V854 HydrophobicContact CD1-CG1 4.27Å; I830-L855 HydrophobicContact CG2-CB 4.1Å; I830-L855 HydrophobicContact CG2-CD1 4.09Å; I830-V858 HydrophobicContact CD1-CB 4.35Å; I830-V858 HydrophobicContact CD1-CG1 4.28Å; I830-V858 HydrophobicContact CD1-CG2 3.77Å
831	Q	91	Very high	86.5	Confident	17 Å²	17	48.4 Å²	48.4	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-44.1	175.4	176	60.9	111.5	0	0	112.6	R610 K827 D828 M829 L835 L855	R610-Q831 PolarHBondContact O-NE2 3.18Å; K827-Q831 VanDerWaalsContact O-CB 3.29Å; K827-Q831 WeakPolarHBondContact O-CB 3.48Å; K827-Q831 PolarHBondContact O-N 2.93Å; D828-Q831 PolarHBondContact O-N 3.28Å; M829-Q831 VanDerWaalsContact C-N 3.32Å; M829-Q831 PolarHBondContact O-N 3.47Å; Q831-L835 HydrophobicContact CG-CD1 4.37Å; Q831-L835 WeakPolarHBondContact O-CB 3.27Å; Q831-L835 WeakPolarHBondContact O-CG 3.44Å; Q831-L835 PolarHBondContact O-N 3.14Å; Q831-L835 VanDerWaalsContact O-N 3.1Å; Q831-L855 HydrophobicContact CB-CD1 4.06Å
832	E	90.1	Very high	86	Confident	91 Å²	91	46.7 Å²	46.7	43%	0.425	24%	0.241	S	C	.	.	H	α-helix	trans	-70.8	-39	177	-70.4	-138.1	124.3	0	0	112.4	W818 Y822 D828 M829 L835 A836	W818-E832 HydrophobicContact CZ2-CB 4.21Å; Y822-E832 HydrophobicContact CE1-CG 4.32Å; Y822-E832 WeakPolarHBondContact CE1-OE2 3.48Å; Y822-E832 PolarHBondContact OH-OE2 3.2Å; D828-E832 WeakPolarHBondContact O-CG 3.46Å; D828-E832 PolarHBondContact O-N 3.2Å; M829-E832 PolarHBondContact O-N 3.28Å; E832-L835 PolarHBondContact O-N 2.97Å; E832-A836 WeakPolarHBondContact O-CB 3.18Å; E832-A836 PolarHBondContact O-N 3.34Å
833	L	90.8	Very high	85.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-46.2	175.9	-175	60.3	0	0	0	111.4	V761 T765 L776 M780 L815 W818 M829 A836 L837	V761-L833 HydrophobicContact CG1-CD2 3.64Å; T765-L833 HydrophobicContact CG2-CD1 4.25Å; T765-L833 HydrophobicContact CG2-CD2 4.26Å; T765-L833 HydrophobicContact CG2-CG 4.48Å; L776-L833 HydrophobicContact CD2-CD1 4.27Å; M780-L833 HydrophobicContact CE-CD1 3.93Å; M780-L833 HydrophobicContact SD-CD1 4Å; L815-L833 HydrophobicContact CD2-CD1 3.74Å; W818-L833 HydrophobicContact CH2-CB 3.82Å; W818-L833 HydrophobicContact CH2-CD1 4.48Å; W818-L833 HydrophobicContact CZ3-CB 4.14Å; W818-L833 HydrophobicContact CZ3-CD1 4.29Å; M829-L833 VanDerWaalsContact O-CB 3.29Å; M829-L833 WeakPolarHBondContact O-CB 3.32Å; M829-L833 PolarHBondContact O-N 2.92Å; L833-A836 PolarHBondContact O-N 3.01Å; L833-L837 HydrophobicContact CD1-CD1 4.27Å; L833-L837 HydrophobicContact CD1-CG 4.45Å; L833-L837 HydrophobicContact CG-CD1 4.01Å; L833-L837 VanDerWaalsContact O-CG 3.3Å; L833-L837 WeakPolarHBondContact O-CG 3.36Å; L833-L837 PolarHBondContact O-N 3.28Å
834	H	90.2	Very high	85.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-51.9	174.6	-172.8	-61.2	0	0	0	110.9	S611 I830 A836 L837 D838 L851 T852 L855	S611-H834 PolarHBondContact OG-CE1 2.79Å; I830-H834 VanDerWaalsContact O-CB 3.22Å; I830-H834 WeakPolarHBondContact O-CB 3.42Å; I830-H834 PolarHBondContact O-N 3.29Å; H834-A836 PolarHBondContact O-N 2.97Å; H834-L837 PolarHBondContact O-N 3.47Å; H834-D838 IonicContact CE1-OD1 2.9Å; H834-D838 IonicContact CE1-OD2 3.86Å; H834-D838 PolarHBondContact CE1-OD2 3.47Å; H834-D838 IonicContact ND1-OD2 2.71Å; H834-D838 PolarHBondContact ND1-OD2 2.67Å; H834-D838 WeakPolarHBondContact O-CB 3.29Å; H834-D838 PolarHBondContact O-N 3.18Å; H834-L851 HydrophobicContact CB-CD2 4.21Å; H834-T852 PolarHBondContact NE2-OG1 3.21Å; H834-L855 HydrophobicContact CB-CD2 3.96Å
835	L	89.1	Confident	85.5	Confident	12 Å²	12	37.8 Å²	37.8	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-26	178.2	-78.5	171	0	0	0	114.2	R610 V612 V617 Q831 E832 K839	R610-L835 HydrophobicContact CB-CD1 4.01Å; R610-L835 HydrophobicContact CB-CD2 4.18Å; R610-L835 HydrophobicContact CB-CG 4.5Å; R610-L835 WeakPolarHBondContact O-CD2 3.46Å; V612-L835 HydrophobicContact CG2-CD2 4.44Å; V617-L835 HydrophobicContact CG1-CD2 4.06Å; V617-L835 HydrophobicContact CG2-CD2 4.25Å; Q831-L835 HydrophobicContact CG-CD1 4.37Å; Q831-L835 WeakPolarHBondContact O-CB 3.27Å; Q831-L835 WeakPolarHBondContact O-CG 3.44Å; Q831-L835 PolarHBondContact O-N 3.14Å; Q831-L835 VanDerWaalsContact O-N 3.1Å; E832-L835 PolarHBondContact O-N 2.97Å; L835-K839 WeakPolarHBondContact O-CD 3.5Å; L835-K839 VanDerWaalsContact O-CE 3.29Å; L835-K839 WeakPolarHBondContact O-CE 3.1Å; L835-K839 WeakPolarHBondContact O-CG 3.43Å
836	A	88.4	Confident	84.9	Confident	10 Å²	10	42.5 Å²	42.5	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-80.2	-42.4	176.2	0	0	0	0	0	112.3	L776 M780 E832 L833 H834 D838 K839 M840	L776-A836 HydrophobicContact CD1-CB 3.84Å; M780-A836 HydrophobicContact CE-CB 3.58Å; M780-A836 HydrophobicContact CG-CB 3.34Å; M780-A836 HydrophobicContact SD-CB 3.42Å; M780-A836 WeakPolarHBondContact SD-CB 3.35Å; E832-A836 WeakPolarHBondContact O-CB 3.18Å; E832-A836 PolarHBondContact O-N 3.34Å; L833-A836 PolarHBondContact O-N 3.01Å; H834-A836 PolarHBondContact O-N 2.97Å; A836-D838 VanDerWaalsContact C-N 3.32Å; A836-K839 PolarHBondContact O-N 2.77Å; A836-M840 PolarHBondContact O-N 3.07Å
837	L	88.1	Confident	84.1	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-38.7	174.5	-66.4	163.5	0	0	0	111.4	T765 L769 L776 L833 H834 K839 M840 P843 T845 L851	T765-L837 HydrophobicContact CG2-CD1 3.78Å; T765-L837 HydrophobicContact CG2-CD2 4.05Å; T765-L837 HydrophobicContact CG2-CG 4.47Å; L769-L837 HydrophobicContact CD2-CD2 3.92Å; L769-L837 HydrophobicContact CG-CD2 4.39Å; L776-L837 HydrophobicContact CD1-CD2 4.08Å; L776-L837 HydrophobicContact CD1-CG 4.4Å; L776-L837 HydrophobicContact CD2-CD2 3.83Å; L833-L837 HydrophobicContact CD1-CD1 4.27Å; L833-L837 HydrophobicContact CD1-CG 4.45Å; L833-L837 HydrophobicContact CG-CD1 4.01Å; L833-L837 VanDerWaalsContact O-CG 3.3Å; L833-L837 WeakPolarHBondContact O-CG 3.36Å; L833-L837 PolarHBondContact O-N 3.28Å; H834-L837 PolarHBondContact O-N 3.47Å; L837-K839 PolarHBondContact O-N 3.11Å; L837-M840 HydrophobicContact CB-CE 4.19Å; L837-M840 HydrophobicContact CD2-CE 3.48Å; L837-M840 VanDerWaalsContact CD2-CE 3.48Å; L837-M840 HydrophobicContact CD2-SD 4.14Å; L837-M840 HydrophobicContact CG-CE 4.44Å; L837-M840 WeakPolarHBondContact O-CB 3.28Å; L837-M840 PolarHBondContact O-N 3.23Å; L837-P843 WeakPolarHBondContact O-CA 3.31Å; L837-P843 WeakPolarHBondContact O-CB 3.5Å; L837-T845 HydrophobicContact CB-CG2 3.81Å; L837-L851 HydrophobicContact CD1-CD2 3.35Å
838	D	85.3	Confident	83.7	Confident	14 Å²	14	47.8 Å²	47.8	8%	0.075	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.5	170.5	-99.2	2.8	0	0	0	113.2	S611 V612 H834 A836 T845	S611-D838 PolarHBondContact OG-OD2 2.8Å; V612-D838 HydrophobicContact CB-CB 3.83Å; V612-D838 HydrophobicContact CG2-CB 3.67Å; V612-D838 PolarHBondContact N-OD2 2.82Å; H834-D838 IonicContact CE1-OD1 2.9Å; H834-D838 IonicContact CE1-OD2 3.86Å; H834-D838 PolarHBondContact CE1-OD2 3.47Å; H834-D838 IonicContact ND1-OD2 2.71Å; H834-D838 PolarHBondContact ND1-OD2 2.67Å; H834-D838 WeakPolarHBondContact O-CB 3.29Å; H834-D838 PolarHBondContact O-N 3.18Å; A836-D838 VanDerWaalsContact C-N 3.32Å; D838-T845 VanDerWaalsContact OD1-CB 3.24Å; D838-T845 WeakPolarHBondContact OD1-CB 3.37Å; D838-T845 PolarHBondContact OD1-OG1 3.36Å
839	K	84.5	Confident	83.4	Confident	117 Å²	117	45.9 Å²	45.9	51%	0.509	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.1	178.7	-70.2	166	-165.6	165.3	0	113.7	V612 K779 L835 A836 L837	V612-K839 HydrophobicContact CG2-CG 4.48Å; K779-K839 PolarHBondContact NZ-O 3.48Å; L835-K839 WeakPolarHBondContact O-CD 3.5Å; L835-K839 VanDerWaalsContact O-CE 3.29Å; L835-K839 WeakPolarHBondContact O-CE 3.1Å; L835-K839 WeakPolarHBondContact O-CG 3.43Å; A836-K839 PolarHBondContact O-N 2.77Å; L837-K839 PolarHBondContact O-N 3.11Å
840	M	84.6	Confident	83.2	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.034	21%	0.213	C	C	.	.	S	Bend	trans	-70.2	156	172.9	-68.5	-167.4	-58.3	0	0	111.7	L769 E775 L776 A836 L837 N842 P843 I844	L769-M840 HydrophobicContact CD2-CE 4.02Å; L769-M840 HydrophobicContact CD2-SD 3.87Å; E775-M840 WeakPolarHBondContact OE1-CA 3.27Å; E775-M840 WeakPolarHBondContact OE1-CB 3.31Å; L776-M840 HydrophobicContact CB-SD 4.27Å; L776-M840 HydrophobicContact CD1-CG 4.23Å; L776-M840 HydrophobicContact CD1-SD 4.09Å; A836-M840 PolarHBondContact O-N 3.07Å; L837-M840 HydrophobicContact CB-CE 4.19Å; L837-M840 HydrophobicContact CD2-CE 3.48Å; L837-M840 VanDerWaalsContact CD2-CE 3.48Å; L837-M840 HydrophobicContact CD2-SD 4.14Å; L837-M840 HydrophobicContact CG-CE 4.44Å; L837-M840 WeakPolarHBondContact O-CB 3.28Å; L837-M840 PolarHBondContact O-N 3.23Å; M840-N842 PolarHBondContact O-N 3.4Å; M840-P843 WeakPolarHBondContact O-CD 3.37Å; M840-I844 HydrophobicContact CE-CB 3.98Å; M840-I844 HydrophobicContact CE-CD1 3.69Å; M840-I844 HydrophobicContact CE-CG1 3.58Å
841	K	79.1	Confident	83.1	Confident	168 Å²	168	46.5 Å²	46.5	73%	0.73	21%	0.213	S	C	*	.	S	Bend	trans	-54.4	-44.1	180	-72	173.7	180	174.2	0	110.6	E775	E775-K841 WeakPolarHBondContact OE1-CG 3.31Å; E775-K841 PolarHBondContact OE1-N 2.79Å
842	N	77.9	Confident	83	Confident	121 Å²	121	45.8 Å²	45.8	65%	0.647	21%	0.209	S	C	*	.	S	Bend	trans	-116.6	98	166.6	-70	-27.3	0	0	0	108.6	R772 M840 I844	R772-N842 VanDerWaalsContact CZ-O 3.24Å; R772-N842 PolarHBondContact NH1-O 3.43Å; R772-N842 PolarHBondContact NH2-O 2.86Å; M840-N842 PolarHBondContact O-N 3.4Å; N842-I844 PolarHBondContact O-N 3.04Å
843	P	76.7	Confident	83	Confident	18 Å²	18	41.5 Å²	41.5	12%	0.117	19%	0.189	C	C	.	.			trans	-70.6	115.6	-173.7	25.8	-33.5	0	0	0	112.1	L837 M840 T845 R846	L837-P843 WeakPolarHBondContact O-CA 3.31Å; L837-P843 WeakPolarHBondContact O-CB 3.5Å; M840-P843 WeakPolarHBondContact O-CD 3.37Å; P843-T845 PolarHBondContact O-N 3.01Å; P843-R846 HydrophobicContact CG-CG 3.92Å; P843-R846 WeakPolarHBondContact O-CB 3.43Å; P843-R846 PolarHBondContact O-N 2.83Å; P843-R846 VanDerWaalsContact O-N 3.14Å
844	I	77.1	Confident	83.1	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.056	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-61.1	-35	-176.6	-69.5	179.4	0	0	0	111.2	E768 L769 R772 M840 N842 R846 Q847 W848	E768-I844 HydrophobicContact CB-CG2 4.45Å; L769-I844 HydrophobicContact CD2-CD1 3.9Å; L769-I844 HydrophobicContact CG-CD1 4.42Å; R772-I844 VanDerWaalsContact NH1-CG1 3.33Å; M840-I844 HydrophobicContact CE-CB 3.98Å; M840-I844 HydrophobicContact CE-CD1 3.69Å; M840-I844 HydrophobicContact CE-CG1 3.58Å; N842-I844 PolarHBondContact O-N 3.04Å; I844-R846 PolarHBondContact O-N 3.14Å; I844-Q847 PolarHBondContact O-N 2.8Å; I844-W848 HydrophobicContact CG2-CB 3.79Å; I844-W848 HydrophobicContact CG2-CE3 4.41Å; I844-W848 PolarHBondContact O-N 2.67Å
845	T	72.2	Confident	83.1	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-52.7	-19.8	174.1	48.5	0	0	0	0	115.1	L837 D838 P843 R849 L851	L837-T845 HydrophobicContact CB-CG2 3.81Å; D838-T845 VanDerWaalsContact OD1-CB 3.24Å; D838-T845 WeakPolarHBondContact OD1-CB 3.37Å; D838-T845 PolarHBondContact OD1-OG1 3.36Å; P843-T845 PolarHBondContact O-N 3.01Å; T845-R849 VanDerWaalsContact O-CD 3.29Å; T845-R849 WeakPolarHBondContact O-CD 3.45Å; T845-R849 PolarHBondContact O-NE 3Å; T845-L851 HydrophobicContact CG2-CD2 4.39Å
846	R	72.1	Confident	83.2	Confident	140 Å²	140	41.3 Å²	41.3	53%	0.528	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-71	-35.3	173.2	-71.4	-173	-177.8	175.9	1.4	112.7	P843 I844 R849	P843-R846 HydrophobicContact CG-CG 3.92Å; P843-R846 WeakPolarHBondContact O-CB 3.43Å; P843-R846 PolarHBondContact O-N 2.83Å; P843-R846 VanDerWaalsContact O-N 3.14Å; I844-R846 PolarHBondContact O-N 3.14Å; R846-R849 PolarHBondContact O-NE 3.49Å
847	Q	68.5	Low	83.4	Confident	174 Å²	174	40.9 Å²	40.9	81%	0.813	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-52.2	179.3	-68.4	170.6	-38.7	0	0	110.4	I844 R849	I844-Q847 PolarHBondContact O-N 2.8Å; Q847-R849 PolarHBondContact O-N 3.46Å; Q847-R849 VanDerWaalsContact O-N 3.08Å
848	W	78.3	Confident	83.6	Confident	16 Å²	16	40.8 Å²	40.8	6%	0.061	19%	0.185	C	C	.	.			trans	-85.8	74	178.3	-169.5	64.7	0	0	0	110.9	L669 S764 E768 I844 H850 L851	L669-W848 HydrophobicContact CD2-CH2 4.37Å; L669-W848 HydrophobicContact CD2-CZ2 3.49Å; L669-W848 VanDerWaalsContact CD2-CZ2 3.49Å; S764-W848 VanDerWaalsContact CB-CZ2 3.49Å; E768-W848 HydrophobicContact CG-CD2 3.89Å; E768-W848 HydrophobicContact CG-CE3 4.34Å; E768-W848 HydrophobicContact CG-CG 4.16Å; E768-W848 HydrophobicContact CG-CZ2 4.12Å; E768-W848 PolarHBondContact OE1-NE1 2.81Å; I844-W848 HydrophobicContact CG2-CB 3.79Å; I844-W848 HydrophobicContact CG2-CE3 4.41Å; I844-W848 PolarHBondContact O-N 2.67Å; W848-H850 PolarHBondContact O-N 2.91Å; W848-L851 HydrophobicContact CE3-CB 4Å; W848-L851 HydrophobicContact CH2-CB 4.37Å; W848-L851 HydrophobicContact CZ3-CB 3.81Å; W848-L851 HydrophobicContact CZ3-CD1 4.44Å; W848-L851 HydrophobicContact CZ3-CD2 4.15Å; W848-L851 HydrophobicContact CZ3-CG 4.36Å
849	R	84.4	Confident	83.8	Confident	45 Å²	45	41 Å²	41	17%	0.17	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16	-175.2	-76.7	-74.2	173.6	-171.1	0.6	114.2	V589 E590 Y591 T845 R846 Q847 L851 T852 G853	V589-R849 HydrophobicContact CG1-CG 4.46Å; E590-R849 HydrophobicContact CB-CB 4.18Å; Y591-R849 HydrophobicContact CD2-CB 4.09Å; Y591-R849 WeakPolarHBondContact CD2-O 3.37Å; Y591-R849 HydrophobicContact CE2-CB 4.35Å; T845-R849 VanDerWaalsContact O-CD 3.29Å; T845-R849 WeakPolarHBondContact O-CD 3.45Å; T845-R849 PolarHBondContact O-NE 3Å; R846-R849 PolarHBondContact O-NE 3.49Å; Q847-R849 PolarHBondContact O-N 3.46Å; Q847-R849 VanDerWaalsContact O-N 3.08Å; R849-L851 VanDerWaalsContact C-N 3.28Å; R849-L851 PolarHBondContact O-N 3.07Å; R849-T852 WeakPolarHBondContact O-CA 3.23Å; R849-T852 WeakPolarHBondContact O-CB 3.49Å; R849-T852 PolarHBondContact O-N 3.27Å; R849-T852 PolarHBondContact O-OG1 3.14Å; R849-G853 PolarHBondContact O-N 3.44Å
850	H	87	Confident	84.1	Confident	13 Å²	13	35.5 Å²	35.5	6%	0.06	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-31	-175.6	-57.4	-55.3	0	0	0	114.2	E590 Y591 P665 K668 L669 W848 T852 G853 V854	E590-H850 IonicContact OE1-CE1 3.03Å; E590-H850 IonicContact OE2-CE1 2.85Å; E590-H850 PolarHBondContact OE2-CE1 2.93Å; E590-H850 IonicContact OE2-ND1 3.15Å; E590-H850 IonicContact OE2-NE2 3.51Å; E590-H850 PolarHBondContact OE2-NE2 3.18Å; Y591-H850 AromaticContact CE2-ND1 3.68Å; Y591-H850 AromaticContact CZ-ND1 3.87Å; Y591-H850 PolarHBondContact OH-ND1 3.23Å; Y591-H850 VanDerWaalsContact OH-ND1 3.13Å; P665-H850 HydrophobicContact CB-CB 4.41Å; K668-H850 WeakPolarHBondContact CD-CE1 3.29Å; K668-H850 WeakPolarHBondContact CD-NE2 3.4Å; K668-H850 PolarHBondContact NZ-CE1 3.13Å; K668-H850 PolarHBondContact NZ-NE2 2.72Å; L669-H850 HydrophobicContact CD2-CB 4.03Å; W848-H850 PolarHBondContact O-N 2.91Å; H850-T852 PolarHBondContact O-N 3.37Å; H850-G853 CarbonylContact O-C 3.58Å; H850-G853 WeakPolarHBondContact O-CA 3.03Å; H850-G853 PolarHBondContact O-N 3.34Å; H850-V854 WeakPolarHBondContact O-CG2 3Å; H850-V854 PolarHBondContact O-N 2.69Å
851	L	88.7	Confident	84.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-30.9	171.8	-172.3	65.9	0	0	0	112.8	V761 I830 H834 L837 T845 W848 R849 V854 L855	V761-L851 HydrophobicContact CG1-CD1 3.67Å; V761-L851 HydrophobicContact CG2-CD1 4.17Å; I830-L851 HydrophobicContact CG2-CD1 4.22Å; H834-L851 HydrophobicContact CB-CD2 4.21Å; L837-L851 HydrophobicContact CD1-CD2 3.35Å; T845-L851 HydrophobicContact CG2-CD2 4.39Å; W848-L851 HydrophobicContact CE3-CB 4Å; W848-L851 HydrophobicContact CH2-CB 4.37Å; W848-L851 HydrophobicContact CZ3-CB 3.81Å; W848-L851 HydrophobicContact CZ3-CD1 4.44Å; W848-L851 HydrophobicContact CZ3-CD2 4.15Å; W848-L851 HydrophobicContact CZ3-CG 4.36Å; R849-L851 VanDerWaalsContact C-N 3.28Å; R849-L851 PolarHBondContact O-N 3.07Å; L851-V854 PolarHBondContact O-N 2.83Å; L851-L855 WeakPolarHBondContact O-CB 3.37Å; L851-L855 PolarHBondContact O-N 3.49Å
852	T	89.1	Confident	84.8	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-38.2	172.8	-45.3	0	0	0	0	110.7	L631 H834 R849 H850 L855 I856	L631-T852 HydrophobicContact CD1-CG2 3.64Å; L631-T852 HydrophobicContact CG-CG2 4.34Å; H834-T852 PolarHBondContact NE2-OG1 3.21Å; R849-T852 WeakPolarHBondContact O-CA 3.23Å; R849-T852 WeakPolarHBondContact O-CB 3.49Å; R849-T852 PolarHBondContact O-N 3.27Å; R849-T852 PolarHBondContact O-OG1 3.14Å; H850-T852 PolarHBondContact O-N 3.37Å; T852-L855 PolarHBondContact O-N 3.03Å; T852-I856 WeakPolarHBondContact O-CG1 3.49Å; T852-I856 PolarHBondContact O-N 3.23Å
853	G	90.6	Very high	85.2	Confident	1 Å²	1	26 Å²	26	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-43.9	172.1	0	0	0	0	0	112.9	Y591 P665 R849 H850 L855 I856 T857	Y591-G853 VanDerWaalsContact CD1-CA 3.4Å; Y591-G853 VanDerWaalsContact CE1-CA 3.48Å; P665-G853 VanDerWaalsContact CG-C 3.45Å; R849-G853 PolarHBondContact O-N 3.44Å; H850-G853 CarbonylContact O-C 3.58Å; H850-G853 WeakPolarHBondContact O-CA 3.03Å; H850-G853 PolarHBondContact O-N 3.34Å; G853-L855 VanDerWaalsContact C-N 3.35Å; G853-I856 WeakPolarHBondContact O-CB 3.47Å; G853-I856 PolarHBondContact O-N 3.05Å; G853-T857 PolarHBondContact O-N 3.44Å; G853-T857 PolarHBondContact O-OG1 2.89Å
854	V	92.4	Very high	85.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.7	-39.1	175.3	176.5	0	0	0	0	111.7	P665 F666 L669 I757 V761 I830 H850 L851 I856 T857 V858	P665-V854 HydrophobicContact CB-CG2 3.67Å; P665-V854 HydrophobicContact CG-CG2 4.33Å; F666-V854 HydrophobicContact CE1-CG2 4.32Å; F666-V854 HydrophobicContact CZ-CG2 4.24Å; L669-V854 HydrophobicContact CD1-CG2 3.71Å; I757-V854 HydrophobicContact CG2-CG1 3.31Å; V761-V854 HydrophobicContact CG2-CB 4.43Å; V761-V854 HydrophobicContact CG2-CG1 3.67Å; I830-V854 HydrophobicContact CD1-CG1 4.27Å; H850-V854 WeakPolarHBondContact O-CG2 3Å; H850-V854 PolarHBondContact O-N 2.69Å; L851-V854 PolarHBondContact O-N 2.83Å; V854-I856 VanDerWaalsContact C-N 3.31Å; V854-I856 PolarHBondContact O-N 3.44Å; V854-T857 WeakPolarHBondContact O-CB 3.26Å; V854-T857 PolarHBondContact O-N 3.1Å; V854-T857 VanDerWaalsContact O-N 3.15Å; V854-V858 HydrophobicContact CG1-CG2 4.48Å; V854-V858 PolarHBondContact O-N 2.84Å
855	L	91.1	Very high	86.3	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-39	174.8	-179.1	56.2	0	0	0	111.5	V609 I830 Q831 H834 L851 T852 G853 N859	V609-L855 HydrophobicContact CG1-CD2 3.48Å; V609-L855 VanDerWaalsContact CG1-CD2 3.48Å; V609-L855 HydrophobicContact CG1-CG 3.81Å; I830-L855 HydrophobicContact CG2-CB 4.1Å; I830-L855 HydrophobicContact CG2-CD1 4.09Å; Q831-L855 HydrophobicContact CB-CD1 4.06Å; H834-L855 HydrophobicContact CB-CD2 3.96Å; L851-L855 WeakPolarHBondContact O-CB 3.37Å; L851-L855 PolarHBondContact O-N 3.49Å; T852-L855 PolarHBondContact O-N 3.03Å; G853-L855 VanDerWaalsContact C-N 3.35Å; L855-N859 PolarHBondContact O-N 3.26Å; L855-N859 PolarHBondContact O-ND2 2.85Å
856	I	91.4	Very high	86.9	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-52.4	168.5	-69.4	156.1	0	0	0	110.4	Y591 I622 I629 L631 T852 G853 V854 V858 N859 C860	Y591-I856 HydrophobicContact CD1-CD1 4.27Å; Y591-I856 HydrophobicContact CG-CD1 4.43Å; I622-I856 HydrophobicContact CD1-CG2 4.47Å; I622-I856 HydrophobicContact CG2-CG2 3.91Å; I629-I856 HydrophobicContact CG2-CG2 3.86Å; L631-I856 HydrophobicContact CD2-CD1 4.31Å; L631-I856 HydrophobicContact CD2-CG1 3.9Å; L631-I856 HydrophobicContact CG-CD1 4.19Å; L631-I856 HydrophobicContact CG-CG1 4.29Å; T852-I856 WeakPolarHBondContact O-CG1 3.49Å; T852-I856 PolarHBondContact O-N 3.23Å; G853-I856 WeakPolarHBondContact O-CB 3.47Å; G853-I856 PolarHBondContact O-N 3.05Å; V854-I856 VanDerWaalsContact C-N 3.31Å; V854-I856 PolarHBondContact O-N 3.44Å; I856-V858 VanDerWaalsContact C-N 3.28Å; I856-V858 PolarHBondContact O-N 3.41Å; I856-N859 PolarHBondContact O-N 3.32Å; I856-C860 PolarHBondContact O-N 3.04Å; I856-C860 VanDerWaalsContact O-N 3.09Å; I856-C860 PolarHBondContact O-SG 2.96Å; I856-C860 VanDerWaalsContact O-SG 3.37Å
857	T	92.4	Very high	87.5	Confident	1 Å²	1	29 Å²	29	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-50.4	-48.2	-178.8	-57	0	0	0	0	112.2	M662 F666 I757 G853 V854 N859 C860 L861	M662-T857 HydrophobicContact CB-CG2 4Å; M662-T857 HydrophobicContact CE-CG2 4.05Å; M662-T857 HydrophobicContact CG-CG2 4.3Å; M662-T857 WeakPolarHBondContact O-CG2 3.32Å; M662-T857 PolarHBondContact O-OG1 3.08Å; F666-T857 HydrophobicContact CE2-CG2 4.18Å; F666-T857 HydrophobicContact CZ-CG2 4.38Å; I757-T857 HydrophobicContact CD1-CG2 4.17Å; G853-T857 PolarHBondContact O-N 3.44Å; G853-T857 PolarHBondContact O-OG1 2.89Å; V854-T857 WeakPolarHBondContact O-CB 3.26Å; V854-T857 PolarHBondContact O-N 3.1Å; V854-T857 VanDerWaalsContact O-N 3.15Å; T857-N859 VanDerWaalsContact C-N 3.33Å; T857-N859 PolarHBondContact O-N 3.12Å; T857-C860 CarbonylContact O-C 3.43Å; T857-C860 WeakPolarHBondContact O-CA 3.23Å; T857-C860 PolarHBondContact O-N 3.18Å; T857-L861 PolarHBondContact O-N 2.97Å; T857-L861 VanDerWaalsContact O-N 3.13Å
858	V	91.3	Very high	88.2	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.5	-25	-176.9	157.6	0	0	0	0	113.7	I757 H826 K827 I830 V854 I856 C860 L861	I757-V858 HydrophobicContact CB-CG2 4.43Å; I757-V858 HydrophobicContact CD1-CG2 3.8Å; I757-V858 HydrophobicContact CG2-CG2 3.77Å; H826-V858 VanDerWaalsContact CD2-CG1 3.44Å; H826-V858 WeakPolarHBondContact CD2-CG1 3.47Å; K827-V858 HydrophobicContact CB-CG1 4.19Å; K827-V858 WeakPolarHBondContact CE-O 3.36Å; K827-V858 HydrophobicContact CG-CG1 3.58Å; I830-V858 HydrophobicContact CD1-CB 4.35Å; I830-V858 HydrophobicContact CD1-CG1 4.28Å; I830-V858 HydrophobicContact CD1-CG2 3.77Å; V854-V858 HydrophobicContact CG1-CG2 4.48Å; V854-V858 PolarHBondContact O-N 2.84Å; I856-V858 VanDerWaalsContact C-N 3.28Å; I856-V858 PolarHBondContact O-N 3.41Å; V858-C860 VanDerWaalsContact C-N 3.33Å; V858-L861 HydrophobicContact CG2-CD1 4.19Å
859	N	90.6	Very high	88.5	Confident	19 Å²	19	21.2 Å²	21.2	10%	0.102	11%	0.106	C	C	.	.	H	α-helix	trans	-83.4	-11.6	169.8	-75.3	-94.8	0	0	0	112.6	I622 L855 I856 T857	I622-N859 HydrophobicContact CD1-CB 3.39Å; L855-N859 PolarHBondContact O-N 3.26Å; L855-N859 PolarHBondContact O-ND2 2.85Å; I856-N859 PolarHBondContact O-N 3.32Å; T857-N859 VanDerWaalsContact C-N 3.33Å; T857-N859 PolarHBondContact O-N 3.12Å
860	C	90.2	Very high	87.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-102.5	-3.6	177.7	-66.9	0	0	0	0	114.3	L658 M662 I856 T857 V858 F864	L658-C860 HydrophobicContact CD1-CB 4.11Å; M662-C860 HydrophobicContact CE-CB 4.06Å; M662-C860 HydrophobicContact CG-CB 4.04Å; M662-C860 HydrophobicContact SD-CB 3.71Å; I856-C860 PolarHBondContact O-N 3.04Å; I856-C860 VanDerWaalsContact O-N 3.09Å; I856-C860 PolarHBondContact O-SG 2.96Å; I856-C860 VanDerWaalsContact O-SG 3.37Å; T857-C860 CarbonylContact O-C 3.43Å; T857-C860 WeakPolarHBondContact O-CA 3.23Å; T857-C860 PolarHBondContact O-N 3.18Å; V858-C860 VanDerWaalsContact C-N 3.33Å; C860-F864 VanDerWaalsContact O-CB 3.3Å; C860-F864 WeakPolarHBondContact O-CB 3.14Å; C860-F864 PolarHBondContact O-N 3.35Å
861	L	90.1	Very high	86.7	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-52.4	-176.8	-75.2	175.5	0	0	0	111.9	M662 L745 V750 V753 A754 I757 T857 V858 F864 Q865	M662-L861 HydrophobicContact CE-CD2 3.77Å; M662-L861 HydrophobicContact CE-CG 4.39Å; L745-L861 HydrophobicContact CD2-CD2 4.02Å; V750-L861 HydrophobicContact CG1-CB 3.88Å; V750-L861 HydrophobicContact CG1-CD2 4.28Å; V750-L861 HydrophobicContact CG1-CG 4.43Å; V753-L861 HydrophobicContact CG1-CD2 3.57Å; A754-L861 HydrophobicContact CB-CD1 4.14Å; I757-L861 HydrophobicContact CD1-CD1 4.38Å; T857-L861 PolarHBondContact O-N 2.97Å; T857-L861 VanDerWaalsContact O-N 3.13Å; V858-L861 HydrophobicContact CG2-CD1 4.19Å; L861-F864 WeakPolarHBondContact O-CB 3.28Å; L861-F864 PolarHBondContact O-N 2.92Å; L861-Q865 PolarHBondContact O-N 3.08Å
862	D	87.9	Confident	84.9	Confident	64 Å²	64	41.7 Å²	41.7	34%	0.342	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-45.2	-177.5	-33.3	-21.2	0	0	0	110.8	K827 F864 Q865 E866	K827-D862 WeakPolarHBondContact CE-OD2 3.09Å; K827-D862 IonicContact NZ-OD2 2.86Å; K827-D862 PolarHBondContact NZ-OD2 3.4Å; D862-F864 VanDerWaalsContact C-N 3.3Å; D862-F864 PolarHBondContact O-N 3.37Å; D862-Q865 WeakPolarHBondContact O-CA 3.25Å; D862-Q865 WeakPolarHBondContact O-CB 3.26Å; D862-Q865 PolarHBondContact O-N 2.71Å; D862-E866 WeakPolarHBondContact O-CG 3.07Å; D862-E866 PolarHBondContact O-N 2.81Å
863	I	87.4	Confident	84.7	Confident	32 Å²	32	43.7 Å²	43.7	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-39.5	177.3	-49.8	171.2	0	0	0	111.2	L604 A867	L604-I863 HydrophobicContact CB-CD1 4.08Å; I863-A867 WeakPolarHBondContact O-CB 3.2Å; I863-A867 PolarHBondContact O-N 3.05Å
864	F	88.4	Confident	84.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-39.2	174.2	176	-95.2	0	0	0	111.3	F566 L658 L659 M662 L745 C860 L861 D862 A868 F869	F566-F864 HydrophobicContact CD2-CZ 4.01Å; F566-F864 AromaticContact CE2-CE2 3.77Å; F566-F864 HydrophobicContact CE2-CE2 3.77Å; F566-F864 AromaticContact CE2-CZ 3.63Å; F566-F864 HydrophobicContact CE2-CZ 3.63Å; L658-F864 HydrophobicContact CD2-CB 3.84Å; L658-F864 HydrophobicContact CD2-CD2 4.02Å; L658-F864 HydrophobicContact CD2-CG 4.45Å; L658-F864 HydrophobicContact CG-CB 4.39Å; L658-F864 HydrophobicContact CG-CD2 4.12Å; L659-F864 HydrophobicContact CB-CE2 3.79Å; L659-F864 HydrophobicContact CB-CZ 4.34Å; L659-F864 HydrophobicContact CD1-CE2 4.25Å; L659-F864 HydrophobicContact CD1-CZ 4.04Å; L659-F864 HydrophobicContact CD2-CZ 4.37Å; L659-F864 HydrophobicContact CG-CE2 4.41Å; L659-F864 HydrophobicContact CG-CZ 4.49Å; M662-F864 HydrophobicContact CE-CB 3.99Å; M662-F864 HydrophobicContact CE-CG 4.38Å; M662-F864 HydrophobicContact SD-CB 3.9Å; M662-F864 HydrophobicContact SD-CD2 4.4Å; M662-F864 HydrophobicContact SD-CG 4.24Å; L745-F864 HydrophobicContact CB-CE1 3.8Å; L745-F864 HydrophobicContact CB-CZ 4.23Å; L745-F864 HydrophobicContact CD2-CD1 3.89Å; L745-F864 HydrophobicContact CD2-CE1 3.94Å; L745-F864 HydrophobicContact CG-CE1 4.38Å; C860-F864 VanDerWaalsContact O-CB 3.3Å; C860-F864 WeakPolarHBondContact O-CB 3.14Å; C860-F864 PolarHBondContact O-N 3.35Å; L861-F864 WeakPolarHBondContact O-CB 3.28Å; L861-F864 PolarHBondContact O-N 2.92Å; D862-F864 VanDerWaalsContact C-N 3.3Å; D862-F864 PolarHBondContact O-N 3.37Å; F864-A868 HydrophobicContact CD2-CB 4.45Å; F864-A868 HydrophobicContact CE1-CB 4.13Å; F864-A868 HydrophobicContact CE2-CB 4.05Å; F864-A868 HydrophobicContact CZ-CB 3.89Å; F864-A868 WeakPolarHBondContact O-CB 3.37Å; F864-A868 PolarHBondContact O-N 3.23Å; F864-F869 HydrophobicContact CE1-CE2 4.1Å
865	Q	87.9	Confident	84	Confident	64 Å²	64	48.5 Å²	48.5	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-54.7	178.6	-166.9	164.3	22.3	0	0	111.6	N748 V750 L861 D862 A867 A868 F869	N748-Q865 WeakPolarHBondContact OD1-CG 3.33Å; N748-Q865 PolarHBondContact OD1-NE2 3.37Å; V750-Q865 HydrophobicContact CG2-CB 4.09Å; V750-Q865 HydrophobicContact CG2-CG 3.98Å; L861-Q865 PolarHBondContact O-N 3.08Å; D862-Q865 WeakPolarHBondContact O-CA 3.25Å; D862-Q865 WeakPolarHBondContact O-CB 3.26Å; D862-Q865 PolarHBondContact O-N 2.71Å; Q865-A867 VanDerWaalsContact C-N 3.28Å; Q865-A867 PolarHBondContact O-N 3.44Å; Q865-A868 PolarHBondContact O-N 3.14Å; Q865-F869 CarbonylContact O-C 3.54Å; Q865-F869 WeakPolarHBondContact O-CA 3.39Å; Q865-F869 PolarHBondContact O-N 2.68Å
866	E	85.3	Confident	83.6	Confident	144 Å²	144	51.3 Å²	51.3	67%	0.673	28%	0.282	S	S	*	.	H	α-helix	trans	-55.1	-41.1	178.9	-70	173.3	179.3	0	0	112.4	D862	D862-E866 WeakPolarHBondContact O-CG 3.07Å; D862-E866 PolarHBondContact O-N 2.81Å
867	A	84.3	Confident	83.1	Confident	24 Å²	24	54 Å²	54	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-88.9	-27.7	-174.7	0	0	0	0	0	114.9	L571 T655 I863 Q865	L571-A867 HydrophobicContact CD2-CB 3.35Å; T655-A867 HydrophobicContact CG2-CB 3.84Å; I863-A867 WeakPolarHBondContact O-CB 3.2Å; I863-A867 PolarHBondContact O-N 3.05Å; Q865-A867 VanDerWaalsContact C-N 3.28Å; Q865-A867 PolarHBondContact O-N 3.44Å
868	A	83.8	Confident	82.5	Confident	6 Å²	6	57.5 Å²	57.5	5%	0.05	32%	0.317	C	S	.	.	H	α-helix	trans	-88.4	-26.6	177.7	0	0	0	0	0	112.8	F566 T655 F864 Q865	F566-A868 HydrophobicContact CD2-CB 3.93Å; F566-A868 HydrophobicContact CE2-CB 3.85Å; T655-A868 HydrophobicContact CG2-CB 4.08Å; F864-A868 HydrophobicContact CD2-CB 4.45Å; F864-A868 HydrophobicContact CE1-CB 4.13Å; F864-A868 HydrophobicContact CE2-CB 4.05Å; F864-A868 HydrophobicContact CZ-CB 3.89Å; F864-A868 WeakPolarHBondContact O-CB 3.37Å; F864-A868 PolarHBondContact O-N 3.23Å; Q865-A868 PolarHBondContact O-N 3.14Å
869	F	83.8	Confident	81.8	Confident	22 Å²	22	61.6 Å²	61.6	10%	0.096	34%	0.339	C	S	.	.	S	Bend	trans	-136.9	62.8	-176.7	-49.8	-69.9	0	0	0	111	P564 F566 L745 N748 F864 Q865	P564-F869 HydrophobicContact CB-CD1 3.91Å; P564-F869 HydrophobicContact CB-CE1 4.45Å; P564-F869 HydrophobicContact CG-CD1 4.27Å; P564-F869 VanDerWaalsContact O-CE1 3.31Å; P564-F869 WeakPolarHBondContact O-CE1 3.42Å; F566-F869 HydrophobicContact CB-CE1 4.16Å; F566-F869 HydrophobicContact CB-CZ 4.23Å; F566-F869 HydrophobicContact CD2-CZ 4.2Å; L745-F869 VanDerWaalsContact O-CE2 3.27Å; L745-F869 WeakPolarHBondContact O-CE2 3.43Å; L745-F869 VanDerWaalsContact O-CZ 3.31Å; L745-F869 WeakPolarHBondContact O-CZ 3.41Å; N748-F869 HydrophobicContact CB-CD1 4.19Å; N748-F869 HydrophobicContact CB-CD2 3.61Å; N748-F869 HydrophobicContact CB-CE1 4.19Å; N748-F869 HydrophobicContact CB-CE2 3.64Å; N748-F869 HydrophobicContact CB-CG 3.89Å; N748-F869 HydrophobicContact CB-CZ 3.93Å; N748-F869 WeakPolarHBondContact OD1-CD2 3.19Å; F864-F869 HydrophobicContact CE1-CE2 4.1Å; Q865-F869 CarbonylContact O-C 3.54Å; Q865-F869 WeakPolarHBondContact O-CA 3.39Å; Q865-F869 PolarHBondContact O-N 2.68Å
870	P	72.3	Confident	81.1	Confident	95 Å²	95	64.9 Å²	64.9	62%	0.617	36%	0.358	S	S	*	.			trans	-59.2	141.7	175.6	26.8	-35.4	0	0	0	110.8
871	E	62.4	Low	80.4	Confident	188 Å²	188	70.3 Å²	70.3	88%	0.879	39%	0.387	S	S	*	.			trans	-65.7	144.6	171.6	-63.4	-168	150.6	0	0	110.6
872	P	51.1	Low	79.5	Confident	204 Å²	204	76.6 Å²	76.6	100%	1.325	42%	0.422	S	S	*	.			trans	-80.4	0	-172.2	33.2	-36.8	0	0	0	115

Retrieved 872 of 872 residues in 254.3 ms (Link to these results)

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