A0A087X4Q5_POEFO Loading...

ATP-dependent helicase RENT1

AlphaFold DB , UniProt , Accession A0A087X4Q5, Species POEFO (Poecilia formosa, Amazon molly), Gene UPF1, Length 1,097 aa.

						>A0A087X4Q5_POEFO|A0A087X4Q5|UPF1
MSVEAYGPSSQTLTFLDTEEAELLGADTQGSEYDFTDFTLPSQTQTQGQTQSQLDGQINGPDEGLHNGGMDDSVAKTSQLLGELNFEEDEEDTYYTKDLPIHACSYCGIHDPACVVYCNTSKKWFCNGRGNTSGSHIVNHMVRAKCKEVTLHKDGPLGETVLECYNCGCRNVFLLGFIPAKADSVVVLLCRQPCASQSSLKDINWDSSQWQPLIQDRCFLSWLVKIPSEQEQLRARQITAQQINKLEELWKDNPGATLEDLEKPGVDEEPQHVLLRYEDAYQYQNIFGPLVKLEADYDKKLKESQTQDNITVRWDLGLNKKRIAYFTLPKTDSDMRLMQGDEICLRYKGDLAPLWKGIGHVIKVPDNYGDEIAIELRSSVGAPVEIPHNFQVDFVWKSTSFDRMQSALKTFAVDETSVSGYIYHKLLGHEVEDVTIKCQLPKRFTAPGLPDLNHSQVYAVKTVLQRPLSLIQGPPGTGKTVTSATIVYHLSRQGNGPVLVCAPSNIAVDQLTEKIDKTGLKVVRLCAKSREAIESPVSFLALHNQISNMDSMPELQKLQQLKDETGELSSADEKRYRALKRTAERELLMNADVICCTCVGAGDPRLAKMQFRSILIDESTQATEPECMVPVVLGAKQLILVGDHCQLGPVVMCKKAAKAGLSQSLFERLVVLGIRPIRLQVQYRMHPALSAFPSNIFYEGSLQNGVTAADRIKKGFDFQWPQPDKPMFFYVTQGQEEIASSGTSYLNRTEAANVEKITTRLLKAGAKPDQIGIITPYEGQRSYLVQYMQFSGSLHTKLYQQVEIASVDAFQGREKDFIILSCVRANEHQGIGFLNDPRRLNVALTRAKYGVIIVGNPKALSKQPLWNNLLNYYKEQKVLVEGPLNNLRESLMQFSKPRKLVNTINPGGRFMSTAMYDAREALIPGSAYDRSSAAGRPSNMYFQTHDQIGMIGTGPGQMAAMNIPIPFNLVMPPMPPPSYLGQTNGPAAGRGAMKGKPGRGGRQRVRGSAHQGNGPNSQASQDGASQSFSQGPLTQGYISMSQPSQMSQPGLSQPELSQDSYLGDEFKSQIDVALSQDSTYQGERAYQHGGVTGLSQY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	32.8	Very low	231 Å²	231	137.4 Å²	137.4	100%	1.138	79%	0.79	S	S	*	*				0	117.7	0	-54.7	172.3	-164.5	0	0	105.5
2	S	28.3	Very low	32.3	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	78%	0.782	S	S	*	*			cis	70.9	129.7	47.2	80.3	0	0	0	0	111.6
3	V	31.3	Very low	32	Very low	108 Å²	108	135.5 Å²	135.5	66%	0.655	78%	0.777	S	S	*	*			cis	-162.7	144.8	4.8	99.2	0	0	0	0	112
4	E	33.1	Very low	31.5	Very low	173 Å²	173	134.2 Å²	134.2	81%	0.808	77%	0.773	S	S	*	*			trans	52.5	171	148.6	-69.8	154.7	-152.6	0	0	122.1
5	A	33.7	Very low	31.1	Very low	81 Å²	81	137.4 Å²	137.4	67%	0.669	78%	0.775	S	S	*	*			cis	-174.2	168.7	-38.2	0	0	0	0	0	109.3
6	Y	30.6	Very low	30.7	Very low	242 Å²	242	139.1 Å²	139.1	95%	0.949	78%	0.78	S	S	*	*			trans	-172.6	140.3	137.5	-107.8	-72.3	0	0	0	111.1
7	G	30.8	Very low	30.5	Very low	62 Å²	62	139 Å²	139	64%	0.639	78%	0.778	S	S	*	*			trans	-121.9	-133.7	167.7	0	0	0	0	0	109.4
8	P	50	Low	30.3	Very low	126 Å²	126	138.1 Å²	138.1	82%	0.818	78%	0.776	S	S	*	*			cis	-142.6	170.6	-21.9	41.7	-25.4	0	0	0	115
9	S	28.8	Very low	30.1	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	78%	0.781	S	S	*	*			trans	-175.9	116.2	150.9	35	0	0	0	0	109.4
10	S	32.4	Very low	30.3	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	79%	0.788	S	S	*	*				72.2	123.5	64.5	76.4	0	0	0	0	112.7
11	Q	29.6	Very low	30.1	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	79%	0.789	S	S	*	*			cis	-140.4	162.8	15.2	-64	-175.8	9.2	0	0	109.5
12	T	27.4	Very low	29.9	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	77%	0.772	S	S	*	*			cis	77.3	134.4	23.5	69.5	0	0	0	0	115.6
13	L	27.4	Very low	29.9	Very low	138 Å²	138	139.3 Å²	139.3	72%	0.723	77%	0.769	S	S	*	*			cis	-169	-179.3	-4.2	-121.1	173.1	0	0	0	110.3
14	T	25.2	Very low	29.7	Very low	118 Å²	118	142 Å²	142	72%	0.724	78%	0.779	S	S	*	*			trans	63.8	161.2	154.7	45.4	0	0	0	0	119.7
15	F	25.5	Very low	29.4	Very low	182 Å²	182	137.2 Å²	137.2	80%	0.798	78%	0.776	S	S	*	*			cis	167.9	137.5	-37	-122	-73.5	0	0	0	106.4
16	L	24.6	Very low	29.1	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	78%	0.781	S	S	*	*			trans	168.5	152.7	142.7	-96.4	163.8	0	0	0	112.8
17	D	28.1	Very low	29	Very low	138 Å²	138	133.4 Å²	133.4	74%	0.738	77%	0.774	S	S	*	*			trans	-90.3	162.7	173.5	-49.8	-85.3	0	0	0	112.2
18	T	27.3	Very low	29	Very low	122 Å²	122	137.2 Å²	137.2	75%	0.748	79%	0.785	S	S	*	*				-173.8	135.4	128.5	27.6	0	0	0	0	114.1
19	E	26.3	Very low	28	Very low	187 Å²	187	139.8 Å²	139.8	87%	0.874	79%	0.786	S	S	*	*			trans	78.2	155.1	140.2	-69.5	173.3	-172.1	0	0	123.3
20	E	32.5	Very low	27.9	Very low	195 Å²	195	138.3 Å²	138.3	91%	0.911	79%	0.788	S	S	*	*			trans	-119.2	143.2	-168.9	-55.2	174.6	112.4	0	0	111.3
21	A	26.2	Very low	27.7	Very low	98 Å²	98	138.9 Å²	138.9	81%	0.81	79%	0.792	S	S	*	*			trans	164.8	157.4	156.7	0	0	0	0	0	110
22	E	28.4	Very low	27.6	Very low	168 Å²	168	139.7 Å²	139.7	79%	0.785	80%	0.796	S	S	*	*			cis	-165.1	151	-41.3	-127.6	-165.3	160.5	0	0	107.2
23	L	28.3	Very low	27.6	Very low	130 Å²	130	145.5 Å²	145.5	68%	0.681	81%	0.807	S	S	*	*			trans	63.7	138.9	156.7	-94	71.8	0	0	0	123.8
24	L	26.7	Very low	27.4	Very low	163 Å²	163	145.2 Å²	145.2	85%	0.853	81%	0.806	S	S	*	*			trans	68.8	149.5	150.4	-61.1	166	0	0	0	120.3
25	G	27.6	Very low	27.7	Very low	73 Å²	73	148 Å²	148	75%	0.753	81%	0.808	S	S	*	*			cis	140.2	85.8	-12	0	0	0	0	0	116.3
26	A	27.4	Very low	27.8	Very low	95 Å²	95	143.8 Å²	143.8	79%	0.785	80%	0.797	S	S	*	*			trans	-159.4	130.6	156.8	0	0	0	0	0	107.6
27	D	28.2	Very low	28	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	79%	0.79	S	S	*	*				70.1	100.1	54.9	-83.1	-9.7	0	0	0	115.1
28	T	31.8	Very low	27.8	Very low	143 Å²	143	145.2 Å²	145.2	88%	0.877	80%	0.797	S	S	*	*			trans	-129.2	105.2	150.1	56.1	0	0	0	0	108.9
29	Q	27.4	Very low	28	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	79%	0.792	S	S	*	*			trans	-59.4	150.6	159.1	-64.1	169.4	3.4	0	0	107.8
30	G	26.6	Very low	28.1	Very low	76 Å²	76	142.2 Å²	142.2	78%	0.784	79%	0.786	S	S	*	*			cis	102.2	94.3	36.6	0	0	0	0	0	107.3
31	S	29.9	Very low	27.9	Very low	116 Å²	116	139.2 Å²	139.2	81%	0.811	78%	0.783	S	S	*	*			trans	-126.7	92.5	-173.5	60.3	0	0	0	0	111.1
32	E	26.3	Very low	28	Very low	187 Å²	187	138.6 Å²	138.6	87%	0.874	77%	0.772	S	S	*	*			trans	-70.1	139.1	163.1	-57.6	176	136.2	0	0	109.4
33	Y	27.6	Very low	28	Very low	235 Å²	235	139.5 Å²	139.5	92%	0.922	78%	0.777	S	S	*	*			trans	-152.5	134.7	152.6	-99.5	-70.3	0	0	0	110.1
34	D	24.3	Very low	28.1	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	79%	0.785	S	S	*	*			trans	-125	165.1	178.8	-159.8	-40.4	0	0	0	109.1	R930	D34-R930 IonicContact OD1-CZ 3.17Å; D34-R930 IonicContact OD1-NH2 2.69Å; D34-R930 PolarHBondContact OD1-NH2 2.87Å
35	F	31.3	Very low	28.2	Very low	176 Å²	176	141 Å²	141	77%	0.772	79%	0.785	S	S	*	*			trans	-84.8	174.8	-153.2	-105.8	-100.1	0	0	0	116.9	R930	F35-R930 PolarHBondContact O-NH2 2.92Å
36	T	27	Very low	28.3	Very low	93 Å²	93	144.5 Å²	144.5	57%	0.571	79%	0.792	S	S	*	*			trans	75.7	153.7	168.1	75.1	0	0	0	0	115.6	R930	T36-R930 PolarHBondContact OG1-NH1 2.88Å
37	D	27.7	Very low	28.3	Very low	130 Å²	130	149.3 Å²	149.3	70%	0.695	80%	0.799	S	S	*	*			cis	-153.4	155.1	10.6	-144.4	-13.3	0	0	0	111.6
38	F	25	Very low	28.3	Very low	202 Å²	202	146.1 Å²	146.1	89%	0.886	80%	0.801	S	S	*	*			trans	179.3	143.6	137.5	-114.3	-76.1	0	0	0	113.2
39	T	30.4	Very low	28.2	Very low	106 Å²	106	147.7 Å²	147.7	65%	0.65	80%	0.798	S	S	*	*			trans	-104.7	145.5	-172.2	54.7	0	0	0	0	114.5
40	L	28.8	Very low	28.2	Very low	141 Å²	141	144.4 Å²	144.4	74%	0.738	79%	0.79	S	S	*	*			trans	39.7	141.8	144.4	-68.1	170.2	0	0	0	120.8
41	P	29.9	Very low	28.3	Very low	131 Å²	131	149.5 Å²	149.5	85%	0.851	79%	0.794	S	S	*	*				-119.4	172.2	103.8	35.3	-34.9	0	0	0	113.8
42	S	27.3	Very low	28.3	Very low	85 Å²	85	148.2 Å²	148.2	59%	0.594	79%	0.785	S	S	*	*			trans	-125	173.3	-165	-53	0	0	0	0	113.1
43	Q	28.4	Very low	28.5	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	78%	0.782	S	S	*	*			trans	78.2	147.5	173.5	-48.7	179.1	16.9	0	0	112.9
44	T	29.5	Very low	28.5	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	77%	0.771	S	S	*	*			cis	-126.2	176.4	28.3	46.8	0	0	0	0	115.8
45	Q	29.8	Very low	28.8	Very low	185 Å²	185	143.8 Å²	143.8	86%	0.864	78%	0.777	S	S	*	*			trans	-91.7	146.5	178	-55.4	161.2	-31.7	0	0	111.5
46	T	28.8	Very low	28.6	Very low	147 Å²	147	139.2 Å²	139.2	90%	0.902	78%	0.779	S	S	*	*			trans	-160.3	146.6	133.6	13.3	0	0	0	0	111.5
47	Q	29.1	Very low	28.7	Very low	197 Å²	197	143.6 Å²	143.6	92%	0.921	79%	0.794	S	S	*	*			trans	-94.6	141.1	159.9	-68.3	175.1	-26.6	0	0	108
48	G	27.2	Very low	28.9	Very low	81 Å²	81	144.3 Å²	144.3	84%	0.835	80%	0.796	S	S	*	*			trans	-159.5	113.4	-177.4	0	0	0	0	0	112.2
49	Q	30	Very low	29	Very low	176 Å²	176	142 Å²	142	82%	0.822	79%	0.793	S	S	*	*			trans	-74.2	159.3	-173.4	-62.9	168.2	-65.2	0	0	114.3
50	T	27.7	Very low	28.7	Very low	110 Å²	110	140.3 Å²	140.3	68%	0.675	80%	0.796	S	S	*	*			trans	55.1	129.5	142.3	50.4	0	0	0	0	121.8
51	Q	29.3	Very low	29.5	Very low	183 Å²	183	138.9 Å²	138.9	86%	0.855	80%	0.796	S	S	*	*			trans	67.4	158.9	146.4	-72.3	174.8	-46.4	0	0	116.6
52	S	28.8	Very low	29.6	Very low	90 Å²	90	140 Å²	140	63%	0.629	80%	0.795	S	S	*	*			cis	-168.1	143.4	-23.4	49.9	0	0	0	0	110.2
53	Q	30	Very low	29.7	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	81%	0.805	S	S	*	*			trans	56	143.9	146	-100.7	177.1	-25	0	0	122.6
54	L	29.3	Very low	29.8	Very low	133 Å²	133	137.9 Å²	137.9	70%	0.696	79%	0.789	S	S	*	*			trans	75.8	109.3	151.1	-63.1	162.8	0	0	0	120
55	D	28.7	Very low	29.8	Very low	155 Å²	155	138.2 Å²	138.2	83%	0.829	79%	0.785	S	S	*	*				42.5	131.8	114.6	-50.9	-15.4	0	0	0	121.3
56	G	27.9	Very low	29.8	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	78%	0.781	S	S	*	*			trans	171.1	91.9	164.9	0	0	0	0	0	114.9
57	Q	29.8	Very low	30	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	78%	0.778	S	S	*	*			trans	-76.6	160.3	162.6	-65.4	174.2	-32.9	0	0	110.7
58	I	30.3	Very low	30.1	Very low	145 Å²	145	132.1 Å²	132.1	74%	0.744	77%	0.772	S	S	*	*				163.1	125.2	123.1	-85.5	162.3	0	0	0	113.8
59	N	28	Very low	30.2	Very low	154 Å²	154	132 Å²	132	82%	0.824	77%	0.771	S	S	*	*			trans	58.3	148.5	151.6	-61.1	1	0	0	0	124.8
60	G	24.7	Very low	30.2	Very low	70 Å²	70	133 Å²	133	72%	0.722	78%	0.778	S	S	*	*			trans	-91.8	-136.4	159.9	0	0	0	0	0	112.1
61	P	45.4	Very low	30.6	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	79%	0.787	S	S	*	*			cis	-140	-169.3	21.1	45.3	-26.8	0	0	0	116.4
62	D	31.6	Very low	30.7	Very low	155 Å²	155	131.6 Å²	131.6	83%	0.829	77%	0.772	S	S	*	*			trans	52.1	148.4	155.9	-51.8	-29.8	0	0	0	121.3
63	E	30.5	Very low	30.9	Very low	175 Å²	175	133 Å²	133	82%	0.818	78%	0.782	S	S	*	*			cis	-144.1	-177.1	-4.9	-136.5	-138.5	113.6	0	0	106.7
64	G	29.3	Very low	31.4	Very low	53 Å²	53	130.7 Å²	130.7	55%	0.546	78%	0.779	S	S	.	*			cis	127.3	154.4	3.2	0	0	0	0	0	113
65	L	29.2	Very low	31.7	Very low	144 Å²	144	127.5 Å²	127.5	75%	0.754	77%	0.772	S	S	*	*			trans	169.2	125.5	159.1	-96.8	169.4	0	0	0	115.2
66	H	30.8	Very low	32	Very low	168 Å²	168	128.7 Å²	128.7	78%	0.778	77%	0.77	S	S	*	*			trans	67.4	94.7	143.3	-77.2	16.1	0	0	0	125
67	N	32.2	Very low	32.5	Very low	156 Å²	156	131 Å²	131	83%	0.834	77%	0.769	S	S	*	*				73.7	106.3	101.5	-157.2	31.5	0	0	0	123.9
68	G	31	Very low	32.9	Very low	78 Å²	78	127.3 Å²	127.3	80%	0.804	76%	0.763	S	S	*	*			trans	76.9	143.1	136.4	0	0	0	0	0	120.7
69	G	30.4	Very low	33.2	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	77%	0.766	S	S	*	*			cis	160.5	140.1	-8.4	0	0	0	0	0	113.1
70	M	29.9	Very low	33.6	Very low	197 Å²	197	129 Å²	129	97%	0.97	77%	0.767	S	S	*	*			trans	-158.6	140.4	167.1	-135.9	166.5	-174.2	0	0	112.5
71	D	35.8	Very low	34.2	Very low	162 Å²	162	134.2 Å²	134.2	87%	0.866	78%	0.778	S	S	*	*			trans	-76.2	179.3	-172.6	-66.3	-44.4	0	0	0	114.8
72	D	32.1	Very low	33.6	Very low	100 Å²	100	132.3 Å²	132.3	54%	0.535	78%	0.778	S	S	.	*			cis	-170.5	131.2	-36	169.9	29	0	0	0	104.9
73	S	33.1	Very low	33.9	Very low	121 Å²	121	134 Å²	134	85%	0.846	78%	0.781	S	S	*	*	S	Bend	trans	-165.4	-9.1	-178.8	-76.7	0	0	0	0	116.3
74	V	39.6	Very low	33.9	Very low	122 Å²	122	133.7 Å²	133.7	74%	0.739	78%	0.784	S	S	*	*	S	Bend	trans	-120.3	-12.9	-169.9	-170.6	0	0	0	0	112.9	K76	V74-K76 VanDerWaalsContact C-N 3.3Å; V74-K76 PolarHBondContact O-N 2.92Å; V74-K76 VanDerWaalsContact O-N 3.15Å
75	A	36.5	Very low	34.1	Very low	67 Å²	67	138 Å²	138	55%	0.554	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	7.3	-168.2	0	0	0	0	0	116.4
76	K	34.4	Very low	34.1	Very low	180 Å²	180	139.8 Å²	139.8	78%	0.783	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	-0.2	-171.4	-85.5	175.1	179.1	156.2	0	117.1	V74	V74-K76 VanDerWaalsContact C-N 3.3Å; V74-K76 PolarHBondContact O-N 2.92Å; V74-K76 VanDerWaalsContact O-N 3.15Å
77	T	37.7	Very low	34	Very low	129 Å²	129	140 Å²	140	79%	0.791	80%	0.798	S	S	*	*	S	Bend	trans	-97	-17.3	176.2	-44.4	0	0	0	0	112.8
78	S	38.4	Very low	34.3	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	15.6	-168.7	-47.1	0	0	0	0	115.8
79	Q	37.1	Very low	34.2	Very low	171 Å²	171	146 Å²	146	80%	0.799	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	16.4	-174.8	-75.7	-168.5	-31.6	0	0	115.2
80	L	36.1	Very low	34.7	Very low	163 Å²	163	151 Å²	151	85%	0.853	81%	0.807	S	S	*	*	S	Bend	trans	-132.3	36.2	179	-82	172.5	0	0	0	114.1
81	L	37.6	Very low	35	Very low	179 Å²	179	150.1 Å²	150.1	94%	0.937	80%	0.801	S	S	*	*	S	Bend	trans	-133.2	19	168	-82.7	175	0	0	0	113
82	G	32.8	Very low	34.8	Very low	71 Å²	71	150.8 Å²	150.8	73%	0.732	81%	0.805	S	S	*	*			trans	-110.7	83.1	177.9	0	0	0	0	0	112.3
83	E	37.1	Very low	34.7	Very low	191 Å²	191	150.8 Å²	150.8	89%	0.893	81%	0.808	S	S	*	*			trans	-171.7	98.7	151.4	-114.5	175.7	-143.4	0	0	110.9
84	L	30.3	Very low	34.6	Very low	168 Å²	168	153.7 Å²	153.7	88%	0.88	80%	0.802	S	S	*	*			trans	177.4	120.8	146.3	-99.9	169	0	0	0	108.9
85	N	33.2	Very low	34.4	Very low	144 Å²	144	156.9 Å²	156.9	77%	0.77	80%	0.802	S	S	*	*			trans	-85.7	139.4	178.5	-73	2	0	0	0	112.1
86	F	29.3	Very low	34.4	Very low	182 Å²	182	159.9 Å²	159.9	80%	0.798	81%	0.813	S	S	*	*			trans	-145.7	112	133.6	-72.1	-71.7	0	0	0	104.7
87	E	28.5	Very low	34.8	Very low	173 Å²	173	158.3 Å²	158.3	81%	0.808	81%	0.807	S	S	*	*				72.6	138.1	88.3	-71.3	-172.9	157.4	0	0	113
88	E	39.8	Very low	35.7	Very low	201 Å²	201	159.4 Å²	159.4	94%	0.939	81%	0.808	S	S	*	*			trans	-85.6	117.1	-166.1	-59.7	171	128.7	0	0	111
89	D	28.7	Very low	37.6	Very low	159 Å²	159	159.4 Å²	159.4	85%	0.85	80%	0.799	S	S	*	*			trans	-123.7	134.8	173.9	-97.4	-38.1	0	0	0	112.7	E91	D89-E91 PolarHBondContact O-N 3.34Å
90	E	39.9	Very low	39.7	Very low	183 Å²	183	153.6 Å²	153.6	86%	0.855	78%	0.776	S	S	*	*			trans	-67.1	97.1	-163.8	-54.3	172.5	143.3	0	0	116.4
91	E	36.6	Very low	42	Very low	178 Å²	178	153.4 Å²	153.4	83%	0.832	77%	0.774	S	S	*	*			trans	-119	-21.2	165.8	-74.1	-146.9	131.2	0	0	117	D89 T93	D89-E91 PolarHBondContact O-N 3.34Å; E91-T93 PolarHBondContact O-N 2.9Å
92	D	32.3	Very low	44.5	Very low	177 Å²	177	146.4 Å²	146.4	95%	0.947	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	25.7	178.4	-98.4	-30.7	0	0	0	114.5
93	T	30.3	Very low	47.1	Very low	99 Å²	99	143.6 Å²	143.6	61%	0.607	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	25.4	-179.9	-41.1	0	0	0	0	113.6	E91 Y95	E91-T93 PolarHBondContact O-N 2.9Å; T93-Y95 HydrophobicContact CG2-CD2 3.91Å; T93-Y95 HydrophobicContact CG2-CE2 3.82Å; T93-Y95 PolarHBondContact O-N 3.2Å
94	Y	31.1	Very low	49.5	Very low	182 Å²	182	134.6 Å²	134.6	71%	0.714	67%	0.665	S	S	*	*			trans	-75.3	75.3	165.7	-122.9	-79.8	0	0	0	111.4	K97	Y94-K97 HydrophobicContact CE1-CD 3.67Å; Y94-K97 HydrophobicContact CE1-CG 4.08Å; Y94-K97 VanDerWaalsContact CZ-NZ 3.35Å; Y94-K97 PolarHBondContact OH-NZ 2.91Å
95	Y	34.6	Very low	52.3	Low	190 Å²	190	128.7 Å²	128.7	75%	0.745	64%	0.637	S	S	*	*			trans	-45.6	153.6	160.8	-84.6	-92.5	0	0	0	110.7	T93 K97	T93-Y95 HydrophobicContact CG2-CD2 3.91Å; T93-Y95 HydrophobicContact CG2-CE2 3.82Å; T93-Y95 PolarHBondContact O-N 3.2Å; Y95-K97 VanDerWaalsContact C-N 3.3Å; Y95-K97 PolarHBondContact O-N 3.43Å
96	T	37.7	Very low	54.8	Low	129 Å²	129	122 Å²	122	79%	0.791	60%	0.601	S	S	*	*			trans	-53.1	94.6	162.5	44.3	0	0	0	0	109.8	D98	T96-D98 PolarHBondContact O-N 3.38Å; T96-D98 VanDerWaalsContact O-N 3.08Å
97	K	41.2	Very low	57.4	Low	148 Å²	148	113.5 Å²	113.5	64%	0.643	56%	0.564	S	S	*	*			trans	-65.4	109.9	165.6	-71.7	-170.6	-177.7	172.2	0	106.5	Y94 Y95 L99	Y94-K97 HydrophobicContact CE1-CD 3.67Å; Y94-K97 HydrophobicContact CE1-CG 4.08Å; Y94-K97 VanDerWaalsContact CZ-NZ 3.35Å; Y94-K97 PolarHBondContact OH-NZ 2.91Å; Y95-K97 VanDerWaalsContact C-N 3.3Å; Y95-K97 PolarHBondContact O-N 3.43Å; K97-L99 PolarHBondContact O-N 3.4Å
98	D	57.2	Low	59.9	Low	152 Å²	152	106 Å²	106	81%	0.813	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-48	129.5	169.4	-77.6	-49.9	0	0	0	108.7	T96	T96-D98 PolarHBondContact O-N 3.38Å; T96-D98 VanDerWaalsContact O-N 3.08Å
99	L	77.4	Confident	62.1	Low	108 Å²	108	97.1 Å²	97.1	57%	0.565	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-55.5	140.7	177.8	-77.3	167.5	0	0	0	108.8	K97 I101 A103	K97-L99 PolarHBondContact O-N 3.4Å; L99-I101 PolarHBondContact O-N 3.01Å; L99-A103 HydrophobicContact CB-CB 3.77Å
100	P	82	Confident	65	Low	49 Å²	49	93.8 Å²	93.8	32%	0.318	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-49.3	144.5	179.3	-28.6	35	0	0	0	111.4	H102 A103 H110	P100-H102 VanDerWaalsContact CB-NE2 3.35Å; P100-H102 WeakPolarHBondContact CB-NE2 3.46Å; P100-H102 PolarHBondContact O-N 3.03Å; P100-A103 WeakPolarHBondContact O-CB 3.48Å; P100-A103 PolarHBondContact O-N 2.93Å; P100-H110 HydrophobicContact CB-CB 4.41Å; P100-H110 HydrophobicContact CG-CB 4.19Å
101	I	85.3	Confident	67.4	Low	159 Å²	159	87.3 Å²	87.3	82%	0.815	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.9	-174.7	-165.4	168.2	0	0	0	113.9	L99 W124	L99-I101 PolarHBondContact O-N 3.01Å; I101-W124 PolarHBondContact O-NE1 3.24Å
102	H	88.6	Confident	69.9	Low	31 Å²	31	80.5 Å²	80.5	14%	0.144	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.4	174.3	54.7	-117.7	0	0	0	115.4	P100 H110 V115 W124 H152	P100-H102 VanDerWaalsContact CB-NE2 3.35Å; P100-H102 WeakPolarHBondContact CB-NE2 3.46Å; P100-H102 PolarHBondContact O-N 3.03Å; H102-H110 PolarHBondContact CD2-O 3.5Å; H102-H110 PolarHBondContact NE2-O 3.07Å; H102-V115 HydrophobicContact CB-CG2 4.21Å; H102-W124 VanDerWaalsContact CA-CG 3.47Å; H102-W124 HydrophobicContact CB-CD2 3.77Å; H102-W124 HydrophobicContact CB-CE3 4.04Å; H102-W124 HydrophobicContact CB-CG 4.15Å; H102-W124 HydrophobicContact CB-CZ2 4.28Å; H102-W124 HydrophobicContact CB-CZ3 4.44Å; H102-W124 VanDerWaalsContact O-CB 3.32Å; H102-W124 WeakPolarHBondContact O-CB 3.4Å; H102-H152 AromaticContact CE1-NE2 3.78Å; H102-H152 AromaticContact CG-CD2 3.91Å; H102-H152 AromaticContact CG-NE2 3.53Å; H102-H152 AromaticContact ND1-CD2 3.82Å; H102-H152 AromaticContact ND1-CE1 3.69Å; H102-H152 AromaticContact ND1-NE2 2.97Å; H102-H152 PolarHBondContact ND1-NE2 3.16Å
103	A	87.5	Confident	72.8	Confident	12 Å²	12	72.6 Å²	72.6	10%	0.099	37%	0.373	C	S	.	.	S	Bend	trans	-69	141.9	-179.6	0	0	0	0	0	112.6	L99 P100 S105 H110	L99-A103 HydrophobicContact CB-CB 3.77Å; P100-A103 WeakPolarHBondContact O-CB 3.48Å; P100-A103 PolarHBondContact O-N 2.93Å; A103-S105 PolarHBondContact O-N 3.11Å; A103-S105 VanDerWaalsContact O-N 3.15Å; A103-H110 HydrophobicContact CB-CB 3.78Å
104	C	88.6	Confident	75.8	Confident	3 Å²	3	68 Å²	68	2%	0.02	35%	0.345	C	S	.	.			trans	-63.4	115.5	-178.7	175.6	0	0	0	0	111.8	Y106 C107 G108 I109 W124 C126	C104-Y106 PolarHBondContact O-N 2.71Å; C104-C107 PolarHBondContact O-N 2.77Å; C104-C107 VanDerWaalsContact O-N 3.07Å; C104-G108 PolarHBondContact O-N 2.6Å; C104-I109 HydrophobicContact CB-CB 4.45Å; C104-I109 WeakPolarHBondContact CB-O 3.26Å; C104-I109 PolarHBondContact N-O 2.79Å; C104-W124 CarbonylContact C-O 3.58Å; C104-W124 VanDerWaalsContact CA-O 3.3Å; C104-W124 WeakPolarHBondContact CA-O 3.46Å; C104-C126 HydrophobicContact CB-CB 4.01Å; C104-C126 PolarHBondContact SG-N 3.14Å; C104-C126 VanDerWaalsContact SG-N 3.42Å
105	S	87.9	Confident	78.7	Confident	43 Å²	43	59.4 Å²	59.4	30%	0.301	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	4.6	-176	-48.7	0	0	0	0	115.8	A103 W124 W250	A103-S105 PolarHBondContact O-N 3.11Å; A103-S105 VanDerWaalsContact O-N 3.15Å; S105-W124 PolarHBondContact N-O 2.79Å; S105-W124 PolarHBondContact OG-O 2.93Å; S105-W250 WeakPolarHBondContact O-CH2 3.45Å
106	Y	86.2	Confident	81.6	Confident	3 Å²	3	50.3 Å²	50.3	1%	0.012	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-42.3	168.8	-69.1	-22.4	0	0	0	113.1	C104 F125 H136 H140 I238 I243 L246 E247 W250	C104-Y106 PolarHBondContact O-N 2.71Å; Y106-F125 HydrophobicContact CD1-CD1 4.43Å; Y106-F125 AromaticContact CD1-CE1 3.98Å; Y106-F125 HydrophobicContact CD1-CE1 3.98Å; Y106-F125 HydrophobicContact CD2-CD1 4.04Å; Y106-F125 HydrophobicContact CD2-CE1 4.34Å; Y106-F125 HydrophobicContact CE1-CD1 4.46Å; Y106-F125 AromaticContact CE1-CE1 3.82Å; Y106-F125 HydrophobicContact CE1-CE1 3.82Å; Y106-F125 HydrophobicContact CE2-CD1 4.04Å; Y106-F125 HydrophobicContact CE2-CE1 4.17Å; Y106-F125 HydrophobicContact CG-CD1 4.23Å; Y106-F125 HydrophobicContact CG-CE1 4.24Å; Y106-F125 AromaticContact CZ-CE1 3.92Å; Y106-H136 HydrophobicContact CD2-CB 3.69Å; Y106-H136 AromaticContact CD2-CD2 3.74Å; Y106-H136 AromaticContact CD2-CG 3.77Å; Y106-H136 HydrophobicContact CE2-CB 4.23Å; Y106-H136 WeakPolarHBondContact CE2-O 3.49Å; Y106-H140 HydrophobicContact CE2-CB 4.25Å; Y106-H140 WeakPolarHBondContact OH-CA 3.45Å; Y106-I238 HydrophobicContact CD1-CD1 4.44Å; Y106-I238 HydrophobicContact CG-CD1 4.42Å; Y106-I238 WeakPolarHBondContact O-CD1 3.47Å; Y106-I243 HydrophobicContact CD1-CG1 4.2Å; Y106-I243 HydrophobicContact CD2-CD1 3.82Å; Y106-I243 HydrophobicContact CD2-CG1 4.17Å; Y106-I243 HydrophobicContact CE1-CG1 4.27Å; Y106-I243 HydrophobicContact CE1-CG2 3.95Å; Y106-I243 HydrophobicContact CE2-CD1 4.04Å; Y106-I243 HydrophobicContact CE2-CG1 4.29Å; Y106-I243 HydrophobicContact CE2-CG2 4.01Å; Y106-I243 HydrophobicContact CG-CD1 4.2Å; Y106-I243 HydrophobicContact CG-CG1 4.15Å; Y106-I243 WeakPolarHBondContact OH-CG2 3.44Å; Y106-L246 HydrophobicContact CD1-CD2 4.16Å; Y106-E247 HydrophobicContact CE1-CG 4.21Å; Y106-E247 WeakPolarHBondContact OH-CG 3.44Å; Y106-E247 PolarHBondContact OH-OE1 3.22Å; Y106-W250 AromaticContact CD1-CH2 3.91Å; Y106-W250 HydrophobicContact CD1-CH2 3.91Å; Y106-W250 HydrophobicContact CD1-CZ3 4.17Å; Y106-W250 AromaticContact CE1-CH2 3.89Å; Y106-W250 HydrophobicContact CE1-CH2 3.89Å; Y106-W250 AromaticContact CE1-CZ3 3.66Å; Y106-W250 HydrophobicContact CE1-CZ3 3.66Å
107	C	84	Confident	84.3	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.034	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-7.5	-164.2	69.8	0	0	0	0	115.4	C104 I109 C126 H136 A235 R236 I238	C104-C107 PolarHBondContact O-N 2.77Å; C104-C107 VanDerWaalsContact O-N 3.07Å; C107-I109 PolarHBondContact O-N 3.46Å; C107-C126 VanDerWaalsContact SG-SG 3.66Å; C107-H136 VanDerWaalsContact SG-CE1 3.5Å; C107-H136 PolarHBondContact SG-ND1 3.14Å; C107-A235 HydrophobicContact CB-CB 4.23Å; C107-R236 PolarHBondContact O-N 2.99Å; C107-I238 HydrophobicContact CB-CG2 4.3Å
108	G	81.1	Confident	86.7	Confident	16 Å²	16	40.1 Å²	40.1	17%	0.165	22%	0.219	C	C	.	.			trans	84	-8.9	179.3	0	0	0	0	0	116.4	C104 H110	C104-G108 PolarHBondContact O-N 2.6Å; G108-H110 PolarHBondContact O-CD2 3.34Å; G108-H110 PolarHBondContact O-N 3.4Å
109	I	86.6	Confident	88.2	Confident	13 Å²	13	34.8 Å²	34.8	7%	0.067	19%	0.191	C	C	.	.			trans	-56.5	127.5	177.7	-66.5	177	0	0	0	110.7	C104 C107 C126 P227 Q232 A235	C104-I109 HydrophobicContact CB-CB 4.45Å; C104-I109 WeakPolarHBondContact CB-O 3.26Å; C104-I109 PolarHBondContact N-O 2.79Å; C107-I109 PolarHBondContact O-N 3.46Å; I109-C126 HydrophobicContact CB-CB 4.11Å; I109-C126 HydrophobicContact CG2-CB 3.91Å; I109-P227 HydrophobicContact CD1-CB 4.12Å; I109-P227 HydrophobicContact CD1-CG 4.02Å; I109-P227 HydrophobicContact CG2-CB 4.22Å; I109-P227 HydrophobicContact CG2-CG 3.83Å; I109-Q232 HydrophobicContact CD1-CG 4Å; I109-A235 HydrophobicContact CD1-CB 3.86Å; I109-A235 HydrophobicContact CG1-CB 3.58Å
110	H	89.7	Confident	88.3	Confident	89 Å²	89	34 Å²	34	41%	0.412	19%	0.19	S	C	.	.			trans	-136.4	25.7	-168.8	65.5	68.7	0	0	0	113.8	P100 H102 A103 G108 P112	P100-H110 HydrophobicContact CB-CB 4.41Å; P100-H110 HydrophobicContact CG-CB 4.19Å; H102-H110 PolarHBondContact CD2-O 3.5Å; H102-H110 PolarHBondContact NE2-O 3.07Å; A103-H110 HydrophobicContact CB-CB 3.78Å; G108-H110 PolarHBondContact O-CD2 3.34Å; G108-H110 PolarHBondContact O-N 3.4Å; H110-P112 VanDerWaalsContact O-CD 3.29Å; H110-P112 WeakPolarHBondContact O-CD 3.38Å
111	D	89	Confident	88.3	Confident	47 Å²	47	33.5 Å²	33.5	25%	0.251	19%	0.188	S	C	.	.			trans	-69	119.6	167.1	165.3	25.4	0	0	0	109.7	A113 C114 V115	D111-A113 PolarHBondContact O-N 3.47Å; D111-A113 VanDerWaalsContact O-N 3.09Å; D111-A113 PolarHBondContact OD1-N 3.44Å; D111-C114 HydrophobicContact CB-CB 4.08Å; D111-C114 PolarHBondContact O-N 3.14Å; D111-C114 PolarHBondContact OD2-SG 2.96Å; D111-V115 WeakPolarHBondContact O-CG2 3.2Å; D111-V115 PolarHBondContact O-N 3.38Å
112	P	90.3	Very high	88.5	Confident	36 Å²	36	33.3 Å²	33.3	23%	0.234	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-38.8	172.2	-36.3	41.3	0	0	0	116	H110 C114 H152 D154	H110-P112 VanDerWaalsContact O-CD 3.29Å; H110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-C114 VanDerWaalsContact C-N 3.3Å; P112-C114 PolarHBondContact O-N 3.08Å; P112-H152 WeakPolarHBondContact CB-ND1 3.4Å; P112-H152 WeakPolarHBondContact O-CB 3.44Å; P112-D154 HydrophobicContact CB-CB 4.06Å
113	A	91.7	Very high	88.6	Confident	10 Å²	10	33.8 Å²	33.8	8%	0.083	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-12.1	-176.9	0	0	0	0	0	113.5	D111 K225	D111-A113 PolarHBondContact O-N 3.47Å; D111-A113 VanDerWaalsContact O-N 3.09Å; D111-A113 PolarHBondContact OD1-N 3.44Å; A113-K225 HydrophobicContact CB-CB 4.42Å; A113-K225 HydrophobicContact CB-CD 3.69Å; A113-K225 HydrophobicContact CB-CG 4.09Å; A113-K225 WeakPolarHBondContact O-CB 3.11Å; A113-K225 PolarHBondContact O-N 3.27Å
114	C	93.2	Very high	88.9	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-5.5	-178.4	-73	0	0	0	0	114.7	D111 P112 C126 N127 K225 P227	D111-C114 HydrophobicContact CB-CB 4.08Å; D111-C114 PolarHBondContact O-N 3.14Å; D111-C114 PolarHBondContact OD2-SG 2.96Å; P112-C114 VanDerWaalsContact C-N 3.3Å; P112-C114 PolarHBondContact O-N 3.08Å; C114-C126 CarbonylContact O-C 3.27Å; C114-C126 WeakPolarHBondContact O-CA 3.48Å; C114-N127 PolarHBondContact O-N 3.49Å; C114-K225 WeakPolarHBondContact CA-O 3.48Å; C114-K225 VanDerWaalsContact SG-C 3.57Å; C114-K225 VanDerWaalsContact SG-CB 3.57Å; C114-K225 PolarHBondContact SG-O 3.14Å; C114-K225 VanDerWaalsContact SG-O 3.32Å; C114-P227 HydrophobicContact CB-CG 3.75Å; C114-P227 VanDerWaalsContact SG-N 3.37Å
115	V	93.4	Very high	89.2	Confident	2 Å²	2	35 Å²	35	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.9	-173.9	-63.5	0	0	0	0	113.5	H102 D111 W124 C126 H152	H102-V115 HydrophobicContact CB-CG2 4.21Å; D111-V115 WeakPolarHBondContact O-CG2 3.2Å; D111-V115 PolarHBondContact O-N 3.38Å; V115-W124 HydrophobicContact CB-CE3 4.07Å; V115-W124 HydrophobicContact CG2-CE3 3.86Å; V115-W124 HydrophobicContact CG2-CZ3 4.09Å; V115-C126 HydrophobicContact CG1-CB 4.18Å; V115-H152 HydrophobicContact CG2-CB 4.31Å
116	V	94.9	Very high	89.5	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.1	-176.4	-176.8	0	0	0	0	109	W124 F125 I137 V149 F219 V224	V116-W124 VanDerWaalsContact C-CE3 3.46Å; V116-W124 WeakPolarHBondContact O-CA 3.12Å; V116-F125 PolarHBondContact N-O 3.09Å; V116-F125 PolarHBondContact O-N 3.37Å; V116-I137 HydrophobicContact CB-CB 4.38Å; V116-I137 HydrophobicContact CB-CD1 4.02Å; V116-I137 HydrophobicContact CB-CG1 3.87Å; V116-I137 HydrophobicContact CG1-CD1 3.93Å; V116-I137 HydrophobicContact CG1-CG1 3.91Å; V116-I137 HydrophobicContact CG2-CG1 4.4Å; V116-I137 HydrophobicContact CG2-CG2 4.47Å; V116-V149 HydrophobicContact CG1-CB 3.53Å; V116-V149 HydrophobicContact CG1-CG1 3.82Å; V116-V149 HydrophobicContact CG1-CG2 3.92Å; V116-F219 HydrophobicContact CG1-CZ 4.48Å; V116-V224 HydrophobicContact CG2-CB 4.32Å; V116-V224 HydrophobicContact CG2-CG1 3.72Å; V116-V224 HydrophobicContact CG2-CG2 3.74Å
117	Y	95.1	Very high	89.9	Confident	63 Å²	63	32.9 Å²	32.9	25%	0.247	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.1	175.8	-175.3	-122.5	0	0	0	110.6	N119 K122 W124 V149 T150	Y117-N119 VanDerWaalsContact CD1-OD1 3.31Å; Y117-N119 WeakPolarHBondContact CD1-OD1 3.34Å; Y117-K122 VanDerWaalsContact CE2-C 3.46Å; Y117-K122 HydrophobicContact CE2-CB 4.39Å; Y117-K122 WeakPolarHBondContact OH-CA 3.26Å; Y117-K122 WeakPolarHBondContact OH-CB 3.47Å; Y117-W124 AromaticContact CD2-CD1 3.66Å; Y117-W124 AromaticContact CD2-CD2 3.93Å; Y117-W124 HydrophobicContact CD2-CD2 3.93Å; Y117-W124 AromaticContact CD2-CE2 3.55Å; Y117-W124 HydrophobicContact CD2-CG 4.01Å; Y117-W124 HydrophobicContact CD2-CZ2 4.07Å; Y117-W124 AromaticContact CD2-NE1 3.38Å; Y117-W124 AromaticContact CE2-NE1 3.88Å; Y117-W124 HydrophobicContact CG-CD2 4.33Å; Y117-W124 AromaticContact CG-CE2 3.96Å; Y117-W124 HydrophobicContact CG-CH2 4.47Å; Y117-W124 HydrophobicContact CG-CZ2 4.06Å; Y117-V149 WeakPolarHBondContact O-CA 2.96Å; Y117-V149 WeakPolarHBondContact O-CB 3.38Å; Y117-T150 WeakPolarHBondContact CB-O 3.26Å; Y117-T150 PolarHBondContact N-O 3.19Å; Y117-T150 PolarHBondContact O-N 3.02Å
118	C	91.4	Very high	90.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.5	172	-178.3	0	0	0	0	109.9	T120 S121 K122 K123 F125 H140 C146	C118-T120 PolarHBondContact O-N 2.97Å; C118-S121 VanDerWaalsContact CB-OG 3.31Å; C118-S121 WeakPolarHBondContact CB-OG 3.33Å; C118-S121 PolarHBondContact O-N 2.64Å; C118-S121 PolarHBondContact SG-OG 2.95Å; C118-K122 WeakPolarHBondContact O-CA 3.38Å; C118-K122 PolarHBondContact O-N 2.94Å; C118-K123 WeakPolarHBondContact CB-O 3.45Å; C118-K123 PolarHBondContact N-O 3.45Å; C118-F125 HydrophobicContact CB-CD2 4.32Å; C118-F125 HydrophobicContact CB-CE2 4.22Å; C118-H140 PolarHBondContact SG-NE2 3.12Å; C118-H140 VanDerWaalsContact SG-NE2 3.42Å; C118-C146 WeakPolarHBondContact SG-CB 3.36Å
119	N	87.4	Confident	90.3	Very high	40 Å²	40	39 Å²	39	21%	0.214	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.5	-173.5	-64.9	-6.9	0	0	0	112.6	Y117 E148 T150	Y117-N119 VanDerWaalsContact CD1-OD1 3.31Å; Y117-N119 WeakPolarHBondContact CD1-OD1 3.34Å; N119-E148 HydrophobicContact CB-CB 4.2Å; N119-E148 PolarHBondContact N-O 2.76Å; N119-T150 PolarHBondContact ND2-OG1 3.32Å; N119-T150 PolarHBondContact OD1-OG1 2.88Å
120	T	79.9	Confident	90.2	Very high	91 Å²	91	39.7 Å²	39.7	56%	0.558	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-46.7	-178.2	-44.9	0	0	0	0	112.8	C118	C118-T120 PolarHBondContact O-N 2.97Å
121	S	81.6	Confident	89.6	Confident	38 Å²	38	39.8 Å²	39.8	27%	0.266	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.4	-177.8	64.5	0	0	0	0	113.8	C118 K123 H140	C118-S121 VanDerWaalsContact CB-OG 3.31Å; C118-S121 WeakPolarHBondContact CB-OG 3.33Å; C118-S121 PolarHBondContact O-N 2.64Å; C118-S121 PolarHBondContact SG-OG 2.95Å; S121-K123 PolarHBondContact O-N 3.18Å; S121-H140 WeakPolarHBondContact CB-NE2 3.31Å; S121-H140 PolarHBondContact OG-CE1 3.36Å; S121-H140 PolarHBondContact OG-NE2 2.69Å
122	K	90.1	Very high	89.1	Confident	155 Å²	155	38.5 Å²	38.5	67%	0.674	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	34.8	-175.8	-56.2	-172.3	179.9	-177.2	0	113.3	Y117 C118	Y117-K122 VanDerWaalsContact CE2-C 3.46Å; Y117-K122 HydrophobicContact CE2-CB 4.39Å; Y117-K122 WeakPolarHBondContact OH-CA 3.26Å; Y117-K122 WeakPolarHBondContact OH-CB 3.47Å; C118-K122 WeakPolarHBondContact O-CA 3.38Å; C118-K122 PolarHBondContact O-N 2.94Å
123	K	91.3	Very high	88.5	Confident	42 Å²	42	40.8 Å²	40.8	18%	0.183	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.5	-179.6	-73.3	178.5	-177	-177.3	0	111	C118 S121 F125 W250 P254	C118-K123 WeakPolarHBondContact CB-O 3.45Å; C118-K123 PolarHBondContact N-O 3.45Å; S121-K123 PolarHBondContact O-N 3.18Å; K123-F125 HydrophobicContact CB-CD2 4.49Å; K123-F125 HydrophobicContact CB-CE2 3.5Å; K123-F125 VanDerWaalsContact CB-CE2 3.5Å; K123-F125 HydrophobicContact CB-CZ 3.74Å; K123-F125 HydrophobicContact CD-CZ 4.42Å; K123-W250 HydrophobicContact CD-CE3 4.5Å; K123-W250 HydrophobicContact CD-CH2 4.19Å; K123-W250 HydrophobicContact CD-CZ2 4.36Å; K123-W250 HydrophobicContact CD-CZ3 4.25Å; K123-W250 VanDerWaalsContact NZ-CD2 3.27Å; K123-P254 PolarHBondContact NZ-O 3.06Å
124	W	93.9	Very high	88.2	Confident	40 Å²	40	40.9 Å²	40.9	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.4	178.7	-69.4	85.7	0	0	0	111.3	I101 H102 C104 S105 V115 V116 Y117 H152	I101-W124 PolarHBondContact O-NE1 3.24Å; H102-W124 VanDerWaalsContact CA-CG 3.47Å; H102-W124 HydrophobicContact CB-CD2 3.77Å; H102-W124 HydrophobicContact CB-CE3 4.04Å; H102-W124 HydrophobicContact CB-CG 4.15Å; H102-W124 HydrophobicContact CB-CZ2 4.28Å; H102-W124 HydrophobicContact CB-CZ3 4.44Å; H102-W124 VanDerWaalsContact O-CB 3.32Å; H102-W124 WeakPolarHBondContact O-CB 3.4Å; C104-W124 CarbonylContact C-O 3.58Å; C104-W124 VanDerWaalsContact CA-O 3.3Å; C104-W124 WeakPolarHBondContact CA-O 3.46Å; S105-W124 PolarHBondContact N-O 2.79Å; S105-W124 PolarHBondContact OG-O 2.93Å; V115-W124 HydrophobicContact CB-CE3 4.07Å; V115-W124 HydrophobicContact CG2-CE3 3.86Å; V115-W124 HydrophobicContact CG2-CZ3 4.09Å; V116-W124 VanDerWaalsContact C-CE3 3.46Å; V116-W124 WeakPolarHBondContact O-CA 3.12Å; Y117-W124 AromaticContact CD2-CD1 3.66Å; Y117-W124 AromaticContact CD2-CD2 3.93Å; Y117-W124 HydrophobicContact CD2-CD2 3.93Å; Y117-W124 AromaticContact CD2-CE2 3.55Å; Y117-W124 HydrophobicContact CD2-CG 4.01Å; Y117-W124 HydrophobicContact CD2-CZ2 4.07Å; Y117-W124 AromaticContact CD2-NE1 3.38Å; Y117-W124 AromaticContact CE2-NE1 3.88Å; Y117-W124 HydrophobicContact CG-CD2 4.33Å; Y117-W124 AromaticContact CG-CE2 3.96Å; Y117-W124 HydrophobicContact CG-CH2 4.47Å; Y117-W124 HydrophobicContact CG-CZ2 4.06Å; W124-H152 HydrophobicContact CH2-CB 4.03Å; W124-H152 AromaticContact CH2-CD2 3.48Å; W124-H152 VanDerWaalsContact CH2-CD2 3.48Å; W124-H152 WeakPolarHBondContact CH2-CD2 3.37Å; W124-H152 HydrophobicContact CZ3-CB 3.84Å; W124-H152 AromaticContact CZ3-CD2 3.77Å
125	F	94.6	Very high	88.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142.9	178.8	-57.9	-91.7	0	0	0	110.6	Y106 V116 C118 K123 I137 H140 W250	Y106-F125 HydrophobicContact CD1-CD1 4.43Å; Y106-F125 AromaticContact CD1-CE1 3.98Å; Y106-F125 HydrophobicContact CD1-CE1 3.98Å; Y106-F125 HydrophobicContact CD2-CD1 4.04Å; Y106-F125 HydrophobicContact CD2-CE1 4.34Å; Y106-F125 HydrophobicContact CE1-CD1 4.46Å; Y106-F125 AromaticContact CE1-CE1 3.82Å; Y106-F125 HydrophobicContact CE1-CE1 3.82Å; Y106-F125 HydrophobicContact CE2-CD1 4.04Å; Y106-F125 HydrophobicContact CE2-CE1 4.17Å; Y106-F125 HydrophobicContact CG-CD1 4.23Å; Y106-F125 HydrophobicContact CG-CE1 4.24Å; Y106-F125 AromaticContact CZ-CE1 3.92Å; V116-F125 PolarHBondContact N-O 3.09Å; V116-F125 PolarHBondContact O-N 3.37Å; C118-F125 HydrophobicContact CB-CD2 4.32Å; C118-F125 HydrophobicContact CB-CE2 4.22Å; K123-F125 HydrophobicContact CB-CD2 4.49Å; K123-F125 HydrophobicContact CB-CE2 3.5Å; K123-F125 VanDerWaalsContact CB-CE2 3.5Å; K123-F125 HydrophobicContact CB-CZ 3.74Å; K123-F125 HydrophobicContact CD-CZ 4.42Å; F125-I137 HydrophobicContact CB-CB 3.77Å; F125-I137 HydrophobicContact CB-CD1 3.97Å; F125-I137 HydrophobicContact CB-CG1 4.46Å; F125-I137 HydrophobicContact CD2-CD1 4.13Å; F125-I137 HydrophobicContact CG-CD1 4.42Å; F125-H140 HydrophobicContact CD1-CB 3.86Å; F125-H140 HydrophobicContact CD2-CB 4.19Å; F125-H140 AromaticContact CD2-CD2 3.63Å; F125-H140 AromaticContact CD2-CG 3.92Å; F125-H140 HydrophobicContact CE1-CB 3.78Å; F125-H140 AromaticContact CE1-CG 3.71Å; F125-H140 AromaticContact CE1-ND1 3.91Å; F125-H140 HydrophobicContact CE2-CB 4.13Å; F125-H140 AromaticContact CE2-CD2 3.16Å; F125-H140 WeakPolarHBondContact CE2-CD2 3.37Å; F125-H140 AromaticContact CE2-CE1 3.84Å; F125-H140 AromaticContact CE2-CG 3.43Å; F125-H140 VanDerWaalsContact CE2-CG 3.43Å; F125-H140 AromaticContact CE2-ND1 3.84Å; F125-H140 AromaticContact CE2-NE2 3.45Å; F125-H140 WeakPolarHBondContact CE2-NE2 3.3Å; F125-H140 HydrophobicContact CG-CB 4.08Å; F125-H140 HydrophobicContact CZ-CB 3.93Å; F125-H140 AromaticContact CZ-CD2 3.56Å; F125-H140 AromaticContact CZ-CE1 3.63Å; F125-H140 AromaticContact CZ-CG 3.32Å; F125-H140 AromaticContact CZ-ND1 3.37Å; F125-H140 WeakPolarHBondContact CZ-ND1 3.5Å; F125-H140 AromaticContact CZ-NE2 3.76Å; F125-W250 HydrophobicContact CE1-CH2 4.23Å; F125-W250 HydrophobicContact CE1-CZ3 4.01Å; F125-W250 HydrophobicContact CZ-CH2 4.36Å; F125-W250 AromaticContact CZ-CZ3 3.96Å; F125-W250 HydrophobicContact CZ-CZ3 3.96Å
126	C	93.9	Very high	88	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	160.6	179.3	68.8	0	0	0	0	112.8	C104 C107 I109 C114 V115 G128 H136 I137 P227	C104-C126 HydrophobicContact CB-CB 4.01Å; C104-C126 PolarHBondContact SG-N 3.14Å; C104-C126 VanDerWaalsContact SG-N 3.42Å; C107-C126 VanDerWaalsContact SG-SG 3.66Å; I109-C126 HydrophobicContact CB-CB 4.11Å; I109-C126 HydrophobicContact CG2-CB 3.91Å; C114-C126 CarbonylContact O-C 3.27Å; C114-C126 WeakPolarHBondContact O-CA 3.48Å; V115-C126 HydrophobicContact CG1-CB 4.18Å; C126-G128 PolarHBondContact O-N 3.13Å; C126-H136 WeakPolarHBondContact O-CB 3.37Å; C126-H136 PolarHBondContact O-N 3.26Å; C126-H136 PolarHBondContact SG-ND1 3.14Å; C126-I137 PolarHBondContact O-N 3.39Å; C126-I137 VanDerWaalsContact O-N 3.1Å; C126-P227 HydrophobicContact CB-CG 4.45Å
127	N	94.8	Very high	87.9	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.011	21%	0.214	C	C	.	.	S	Bend	trans	-80	1	171.5	-158.8	27.1	0	0	0	113.1	C114 S135 C218 F219 V224 K225	C114-N127 PolarHBondContact O-N 3.49Å; N127-S135 VanDerWaalsContact O-CB 3.27Å; N127-S135 WeakPolarHBondContact O-CB 3.42Å; N127-S135 WeakPolarHBondContact OD1-CB 3.36Å; N127-C218 VanDerWaalsContact OD1-CB 3.29Å; N127-C218 WeakPolarHBondContact OD1-CB 3.29Å; N127-F219 PolarHBondContact ND2-O 2.95Å; N127-F219 PolarHBondContact OD1-N 3.19Å; N127-V224 HydrophobicContact CB-CB 4.24Å; N127-V224 HydrophobicContact CB-CG1 3.76Å; N127-V224 PolarHBondContact ND2-O 2.99Å; N127-K225 WeakPolarHBondContact CB-O 3.43Å
128	G	88.8	Confident	87.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.			trans	-68.8	151	173.2	0	0	0	0	0	112.5	C126 S135 H136	C126-G128 PolarHBondContact O-N 3.13Å; G128-S135 CarbonylContact O-C 3.57Å; G128-S135 VanDerWaalsContact O-CA 3.29Å; G128-S135 WeakPolarHBondContact O-CA 3.49Å; G128-H136 PolarHBondContact O-N 3.03Å
129	R	85.6	Confident	87.4	Confident	149 Å²	149	39.5 Å²	39.5	56%	0.562	21%	0.21	S	C	*	.			trans	-94.7	-30.8	-176.6	61.6	-175.7	173.2	-160.4	-3.9	113.7	N131 T132 G134	R129-N131 PolarHBondContact O-N 2.87Å; R129-T132 PolarHBondContact O-N 3.5Å; R129-T132 PolarHBondContact O-OG1 3.49Å; R129-G134 WeakPolarHBondContact CA-O 3.44Å
130	G	82.8	Confident	87.4	Confident	27 Å²	27	37.7 Å²	37.7	28%	0.278	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-136.2	-174	0	0	0	0	0	111.9	T132 Q232	G130-T132 PolarHBondContact O-N 3.29Å; G130-Q232 VanDerWaalsContact N-OE1 3.1Å
131	N	77	Confident	87.7	Confident	91 Å²	91	33.3 Å²	33.3	49%	0.487	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-85.5	32.6	177.6	-59.6	-45.1	0	0	0	113.1	R129 Q237	R129-N131 PolarHBondContact O-N 2.87Å; N131-Q237 PolarHBondContact ND2-OE1 3.22Å
132	T	80.3	Confident	87.6	Confident	20 Å²	20	33.5 Å²	33.5	12%	0.123	17%	0.174	C	C	.	.	S	Bend	trans	-133.1	159.1	-174.7	83.6	0	0	0	0	114	R129 G130 G134 A240 I243	R129-T132 PolarHBondContact O-N 3.5Å; R129-T132 PolarHBondContact O-OG1 3.49Å; G130-T132 PolarHBondContact O-N 3.29Å; T132-G134 PolarHBondContact O-N 3.36Å; T132-G134 VanDerWaalsContact O-N 3.09Å; T132-G134 PolarHBondContact OG1-O 3.08Å; T132-A240 HydrophobicContact CG2-CB 4.33Å; T132-I243 HydrophobicContact CG2-CD1 3.71Å
133	S	77.3	Confident	87	Confident	85 Å²	85	30.1 Å²	30.1	59%	0.594	16%	0.157	S	C	*	.	S	Bend	trans	-82.4	30	-173	68	0	0	0	0	115.4	R217	S133-R217 WeakPolarHBondContact O-CD 3.31Å; S133-R217 PolarHBondContact O-NH1 3.39Å; S133-R217 PolarHBondContact OG-NH1 3.21Å
134	G	84.5	Confident	86.4	Confident	11 Å²	11	30.2 Å²	30.2	11%	0.113	17%	0.165	C	C	.	.	S	Bend	trans	172.6	176.1	-177	0	0	0	0	0	110.2	R129 T132	R129-G134 WeakPolarHBondContact CA-O 3.44Å; T132-G134 PolarHBondContact O-N 3.36Å; T132-G134 VanDerWaalsContact O-N 3.09Å; T132-G134 PolarHBondContact OG1-O 3.08Å
135	S	92.1	Very high	85.4	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.007	18%	0.179	C	C	.	.			trans	-69.6	153.5	177.4	63.9	0	0	0	0	112.6	N127 G128 I137 V138 N139 R217	N127-S135 VanDerWaalsContact O-CB 3.27Å; N127-S135 WeakPolarHBondContact O-CB 3.42Å; N127-S135 WeakPolarHBondContact OD1-CB 3.36Å; G128-S135 CarbonylContact O-C 3.57Å; G128-S135 VanDerWaalsContact O-CA 3.29Å; G128-S135 WeakPolarHBondContact O-CA 3.49Å; S135-I137 PolarHBondContact O-N 3.48Å; S135-V138 PolarHBondContact O-N 3.42Å; S135-V138 WeakPolarHBondContact OG-CB 3.46Å; S135-V138 VanDerWaalsContact OG-CG2 3.24Å; S135-V138 WeakPolarHBondContact OG-CG2 3.5Å; S135-V138 PolarHBondContact OG-N 2.97Å; S135-N139 VanDerWaalsContact O-CB 3.24Å; S135-N139 WeakPolarHBondContact O-CB 3.42Å; S135-N139 PolarHBondContact O-N 2.86Å; S135-R217 PolarHBondContact N-O 2.68Å; S135-R217 PolarHBondContact OG-O 2.56Å
136	H	91.6	Very high	84.7	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-42.5	177.3	-70.5	150.6	0	0	0	112.8	Y106 C107 C126 G128 N139 H140	Y106-H136 HydrophobicContact CD2-CB 3.69Å; Y106-H136 AromaticContact CD2-CD2 3.74Å; Y106-H136 AromaticContact CD2-CG 3.77Å; Y106-H136 HydrophobicContact CE2-CB 4.23Å; Y106-H136 WeakPolarHBondContact CE2-O 3.49Å; C107-H136 VanDerWaalsContact SG-CE1 3.5Å; C107-H136 PolarHBondContact SG-ND1 3.14Å; C126-H136 WeakPolarHBondContact O-CB 3.37Å; C126-H136 PolarHBondContact O-N 3.26Å; C126-H136 PolarHBondContact SG-ND1 3.14Å; G128-H136 PolarHBondContact O-N 3.03Å; H136-N139 PolarHBondContact O-N 3.12Å; H136-H140 WeakPolarHBondContact O-CB 3.36Å; H136-H140 PolarHBondContact O-N 2.86Å
137	I	92.8	Very high	84.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-48.2	174.9	179.8	63.8	0	0	0	112.4	V116 F125 C126 S135 N139 H140 M141 V149 F219	V116-I137 HydrophobicContact CB-CB 4.38Å; V116-I137 HydrophobicContact CB-CD1 4.02Å; V116-I137 HydrophobicContact CB-CG1 3.87Å; V116-I137 HydrophobicContact CG1-CD1 3.93Å; V116-I137 HydrophobicContact CG1-CG1 3.91Å; V116-I137 HydrophobicContact CG2-CG1 4.4Å; V116-I137 HydrophobicContact CG2-CG2 4.47Å; F125-I137 HydrophobicContact CB-CB 3.77Å; F125-I137 HydrophobicContact CB-CD1 3.97Å; F125-I137 HydrophobicContact CB-CG1 4.46Å; F125-I137 HydrophobicContact CD2-CD1 4.13Å; F125-I137 HydrophobicContact CG-CD1 4.42Å; C126-I137 PolarHBondContact O-N 3.39Å; C126-I137 VanDerWaalsContact O-N 3.1Å; S135-I137 PolarHBondContact O-N 3.48Å; I137-N139 PolarHBondContact O-N 3.43Å; I137-H140 PolarHBondContact O-N 3.06Å; I137-M141 HydrophobicContact CD1-CG 4.05Å; I137-M141 HydrophobicContact CD1-SD 4.06Å; I137-M141 HydrophobicContact CG1-CG 4.35Å; I137-M141 HydrophobicContact CG1-SD 3.91Å; I137-M141 VanDerWaalsContact O-CG 3.31Å; I137-M141 WeakPolarHBondContact O-CG 3.22Å; I137-M141 PolarHBondContact O-N 3.35Å; I137-V149 HydrophobicContact CD1-CG1 4.33Å; I137-F219 HydrophobicContact CB-CE2 4.34Å; I137-F219 HydrophobicContact CG1-CE2 3.72Å; I137-F219 HydrophobicContact CG1-CZ 4.32Å; I137-F219 HydrophobicContact CG2-CD2 3.64Å; I137-F219 HydrophobicContact CG2-CE2 3.62Å
138	V	89.1	Confident	83.8	Confident	5 Å²	5	39 Å²	39	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-40.7	179	173.5	0	0	0	0	110.7	S135 H140 M141 V142 I214 R217 F219 I738	S135-V138 PolarHBondContact O-N 3.42Å; S135-V138 WeakPolarHBondContact OG-CB 3.46Å; S135-V138 VanDerWaalsContact OG-CG2 3.24Å; S135-V138 WeakPolarHBondContact OG-CG2 3.5Å; S135-V138 PolarHBondContact OG-N 2.97Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 3.17Å; V138-M141 PolarHBondContact O-N 3.31Å; V138-V142 HydrophobicContact CG1-CG2 4.12Å; V138-V142 WeakPolarHBondContact O-CB 3.4Å; V138-V142 WeakPolarHBondContact O-CG2 3.48Å; V138-V142 PolarHBondContact O-N 3.24Å; V138-I214 HydrophobicContact CG2-CD1 4.12Å; V138-I214 HydrophobicContact CG2-CG1 4.27Å; V138-I214 HydrophobicContact CG2-CG2 4.05Å; V138-R217 WeakPolarHBondContact CB-O 3.46Å; V138-R217 HydrophobicContact CG1-CB 4.23Å; V138-R217 WeakPolarHBondContact CG2-O 3.18Å; V138-F219 HydrophobicContact CG2-CD2 4.15Å; V138-F219 HydrophobicContact CG2-CE2 4.09Å; V138-I738 HydrophobicContact CG1-CD1 4.41Å
139	N	86.9	Confident	84	Confident	28 Å²	28	39 Å²	39	15%	0.15	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-39.1	177	-169.2	27.6	0	0	0	111.7	S135 H136 I137 R143	S135-N139 VanDerWaalsContact O-CB 3.24Å; S135-N139 WeakPolarHBondContact O-CB 3.42Å; S135-N139 PolarHBondContact O-N 2.86Å; H136-N139 PolarHBondContact O-N 3.12Å; I137-N139 PolarHBondContact O-N 3.43Å; N139-R143 WeakPolarHBondContact O-CD 3.47Å; N139-R143 WeakPolarHBondContact O-CG 3.49Å; N139-R143 PolarHBondContact O-N 3.1Å; N139-R143 PolarHBondContact OD1-NE 2.94Å; N139-R143 PolarHBondContact OD1-NH2 3.25Å
140	H	87.6	Confident	84.4	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-55.1	170.9	172.8	64.9	0	0	0	112.5	Y106 C118 S121 F125 H136 I137 V138 V142 R143 A144 E247	Y106-H140 HydrophobicContact CE2-CB 4.25Å; Y106-H140 WeakPolarHBondContact OH-CA 3.45Å; C118-H140 PolarHBondContact SG-NE2 3.12Å; C118-H140 VanDerWaalsContact SG-NE2 3.42Å; S121-H140 WeakPolarHBondContact CB-NE2 3.31Å; S121-H140 PolarHBondContact OG-CE1 3.36Å; S121-H140 PolarHBondContact OG-NE2 2.69Å; F125-H140 HydrophobicContact CD1-CB 3.86Å; F125-H140 HydrophobicContact CD2-CB 4.19Å; F125-H140 AromaticContact CD2-CD2 3.63Å; F125-H140 AromaticContact CD2-CG 3.92Å; F125-H140 HydrophobicContact CE1-CB 3.78Å; F125-H140 AromaticContact CE1-CG 3.71Å; F125-H140 AromaticContact CE1-ND1 3.91Å; F125-H140 HydrophobicContact CE2-CB 4.13Å; F125-H140 AromaticContact CE2-CD2 3.16Å; F125-H140 WeakPolarHBondContact CE2-CD2 3.37Å; F125-H140 AromaticContact CE2-CE1 3.84Å; F125-H140 AromaticContact CE2-CG 3.43Å; F125-H140 VanDerWaalsContact CE2-CG 3.43Å; F125-H140 AromaticContact CE2-ND1 3.84Å; F125-H140 AromaticContact CE2-NE2 3.45Å; F125-H140 WeakPolarHBondContact CE2-NE2 3.3Å; F125-H140 HydrophobicContact CG-CB 4.08Å; F125-H140 HydrophobicContact CZ-CB 3.93Å; F125-H140 AromaticContact CZ-CD2 3.56Å; F125-H140 AromaticContact CZ-CE1 3.63Å; F125-H140 AromaticContact CZ-CG 3.32Å; F125-H140 AromaticContact CZ-ND1 3.37Å; F125-H140 WeakPolarHBondContact CZ-ND1 3.5Å; F125-H140 AromaticContact CZ-NE2 3.76Å; H136-H140 WeakPolarHBondContact O-CB 3.36Å; H136-H140 PolarHBondContact O-N 2.86Å; I137-H140 PolarHBondContact O-N 3.06Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 3.17Å; H140-V142 PolarHBondContact O-N 2.94Å; H140-R143 PolarHBondContact O-N 3.3Å; H140-A144 WeakPolarHBondContact CE1-CB 3.36Å; H140-A144 PolarHBondContact O-N 3.18Å; H140-E247 IonicContact CE1-OE1 3.76Å; H140-E247 IonicContact CG-OE1 2.95Å; H140-E247 IonicContact ND1-OE1 3.49Å; H140-E247 PolarHBondContact ND1-OE1 3.46Å; H140-E247 IonicContact ND1-OE2 2.82Å
141	M	85.3	Confident	84.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.1	-40.1	-178.1	-72.7	177	73.9	0	0	112.4	I137 V138 R143 K145 C146 V149 V172 F173 F219	I137-M141 HydrophobicContact CD1-CG 4.05Å; I137-M141 HydrophobicContact CD1-SD 4.06Å; I137-M141 HydrophobicContact CG1-CG 4.35Å; I137-M141 HydrophobicContact CG1-SD 3.91Å; I137-M141 VanDerWaalsContact O-CG 3.31Å; I137-M141 WeakPolarHBondContact O-CG 3.22Å; I137-M141 PolarHBondContact O-N 3.35Å; V138-M141 PolarHBondContact O-N 3.31Å; M141-R143 VanDerWaalsContact C-N 3.31Å; M141-R143 PolarHBondContact O-N 2.96Å; M141-K145 CarbonylContact O-C 3.49Å; M141-K145 WeakPolarHBondContact O-CA 3.43Å; M141-K145 PolarHBondContact O-N 3.22Å; M141-C146 WeakPolarHBondContact CB-O 3.4Å; M141-C146 PolarHBondContact O-N 3.33Å; M141-V149 HydrophobicContact CE-CG1 3.84Å; M141-V149 HydrophobicContact SD-CG1 3.66Å; M141-V172 HydrophobicContact CE-CB 4.13Å; M141-V172 HydrophobicContact CE-CG2 4.06Å; M141-F173 HydrophobicContact CB-CE2 4.23Å; M141-F173 HydrophobicContact CB-CZ 3.83Å; M141-F173 HydrophobicContact CE-CE2 3.96Å; M141-F173 HydrophobicContact CE-CZ 4.22Å; M141-F219 HydrophobicContact SD-CE2 4.28Å; M141-F219 HydrophobicContact SD-CZ 4.2Å
142	V	78.8	Confident	85.7	Confident	42 Å²	42	27.8 Å²	27.8	26%	0.255	15%	0.151	S	C	.	.	H	α-helix	trans	-68.6	-25.9	178	173	0	0	0	0	113	V138 H140 F173 G742 T743	V138-V142 HydrophobicContact CG1-CG2 4.12Å; V138-V142 WeakPolarHBondContact O-CB 3.4Å; V138-V142 WeakPolarHBondContact O-CG2 3.48Å; V138-V142 PolarHBondContact O-N 3.24Å; H140-V142 PolarHBondContact O-N 2.94Å; V142-F173 HydrophobicContact CG2-CE1 4.05Å; V142-F173 HydrophobicContact CG2-CZ 3.87Å; V142-G742 WeakPolarHBondContact CG2-O 3.47Å; V142-T743 HydrophobicContact CG1-CG2 3.88Å
143	R	78.4	Confident	86.2	Confident	84 Å²	84	32.7 Å²	32.7	32%	0.317	17%	0.17	S	C	.	.	H	α-helix	trans	-95	-50.6	-176.3	-70.9	169.2	-177.5	-91.9	4.5	113.2	N139 H140 M141 K145 N244 E247	N139-R143 WeakPolarHBondContact O-CD 3.47Å; N139-R143 WeakPolarHBondContact O-CG 3.49Å; N139-R143 PolarHBondContact O-N 3.1Å; N139-R143 PolarHBondContact OD1-NE 2.94Å; N139-R143 PolarHBondContact OD1-NH2 3.25Å; H140-R143 PolarHBondContact O-N 3.3Å; M141-R143 VanDerWaalsContact C-N 3.31Å; M141-R143 PolarHBondContact O-N 2.96Å; R143-K145 PolarHBondContact O-N 3.08Å; R143-N244 PolarHBondContact NH1-OD1 3.14Å; R143-N244 PolarHBondContact NH2-OD1 3.15Å; R143-E247 HydrophobicContact CB-CB 4.45Å; R143-E247 HydrophobicContact CB-CG 4.23Å; R143-E247 WeakPolarHBondContact CB-OE2 3.46Å
144	A	77.8	Confident	86.9	Confident	43 Å²	43	33.1 Å²	33.1	36%	0.355	17%	0.166	S	C	.	.	S	Bend	trans	-76.2	-0.6	173.7	0	0	0	0	0	112.7	H140 C146	H140-A144 WeakPolarHBondContact CE1-CB 3.36Å; H140-A144 PolarHBondContact O-N 3.18Å; A144-C146 WeakPolarHBondContact CB-SG 3.31Å; A144-C146 PolarHBondContact O-N 3.18Å; A144-C146 PolarHBondContact O-SG 3.46Å
145	K	73.9	Confident	86.9	Confident	103 Å²	103	33.2 Å²	33.2	45%	0.448	17%	0.167	S	C	.	.			trans	59.1	22	-180	-57.6	178.6	-179.7	175	0	114.1	M141 R143	M141-K145 CarbonylContact O-C 3.49Å; M141-K145 WeakPolarHBondContact O-CA 3.43Å; M141-K145 PolarHBondContact O-N 3.22Å; R143-K145 PolarHBondContact O-N 3.08Å
146	C	80.3	Confident	86.5	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.02	19%	0.186	C	C	.	.			trans	-75.2	145.2	-179.8	-46.4	0	0	0	0	111.1	C118 M141 A144	C118-C146 WeakPolarHBondContact SG-CB 3.36Å; M141-C146 WeakPolarHBondContact CB-O 3.4Å; M141-C146 PolarHBondContact O-N 3.33Å; A144-C146 WeakPolarHBondContact CB-SG 3.31Å; A144-C146 PolarHBondContact O-N 3.18Å; A144-C146 PolarHBondContact O-SG 3.46Å
147	K	81.8	Confident	86.1	Confident	47 Å²	47	40.3 Å²	40.3	20%	0.204	21%	0.208	C	C	.	.			trans	-126.2	-21.9	-172.3	-62.2	177.8	-174.2	176.1	0	114.2	N171 V172	K147-N171 HydrophobicContact CB-CB 4.4Å; K147-V172 PolarHBondContact O-N 2.95Å; K147-V172 VanDerWaalsContact O-N 3.11Å
148	E	87.8	Confident	85.8	Confident	73 Å²	73	41.3 Å²	41.3	34%	0.341	22%	0.218	S	C	.	.			trans	-107.6	139.4	-174.8	-48.5	-165.4	167.9	0	0	111.3	N119 R170	N119-E148 HydrophobicContact CB-CB 4.2Å; N119-E148 PolarHBondContact N-O 2.76Å; E148-R170 HydrophobicContact CB-CB 4.1Å; E148-R170 HydrophobicContact CG-CB 3.61Å
149	V	92.4	Very high	85.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.1	178.9	-55.9	0	0	0	0	112.4	V116 Y117 I137 M141 L162 V172 F219	V116-V149 HydrophobicContact CG1-CB 3.53Å; V116-V149 HydrophobicContact CG1-CG1 3.82Å; V116-V149 HydrophobicContact CG1-CG2 3.92Å; Y117-V149 WeakPolarHBondContact O-CA 2.96Å; Y117-V149 WeakPolarHBondContact O-CB 3.38Å; I137-V149 HydrophobicContact CD1-CG1 4.33Å; M141-V149 HydrophobicContact CE-CG1 3.84Å; M141-V149 HydrophobicContact SD-CG1 3.66Å; V149-L162 HydrophobicContact CG2-CB 4.21Å; V149-L162 HydrophobicContact CG2-CD1 3.65Å; V149-L162 HydrophobicContact CG2-CG 4.01Å; V149-L162 PolarHBondContact O-N 3.49Å; V149-V172 HydrophobicContact CB-CG2 4.49Å; V149-V172 HydrophobicContact CG1-CG2 4.27Å; V149-V172 HydrophobicContact CG2-CG2 3.59Å; V149-F219 HydrophobicContact CG1-CZ 4.35Å; V149-F219 HydrophobicContact CG2-CE1 4.13Å; V149-F219 HydrophobicContact CG2-CZ 4.12Å
150	T	93.8	Very high	85.9	Confident	16 Å²	16	49.6 Å²	49.6	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140	172.5	-48.6	0	0	0	0	109.2	Y117 N119 E159 V161	Y117-T150 WeakPolarHBondContact CB-O 3.26Å; Y117-T150 PolarHBondContact N-O 3.19Å; Y117-T150 PolarHBondContact O-N 3.02Å; N119-T150 PolarHBondContact ND2-OG1 3.32Å; N119-T150 PolarHBondContact OD1-OG1 2.88Å; T150-E159 HydrophobicContact CG2-CG 4.07Å; T150-V161 HydrophobicContact CG2-CG2 4.08Å
151	L	93.6	Very high	86	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	158.2	175.6	-62.1	-177.8	0	0	0	111.4	L157 G158 T160 L162 L223 V224	L151-L157 HydrophobicContact CD1-CB 4.04Å; L151-L157 HydrophobicContact CD1-CD1 4.35Å; L151-G158 WeakPolarHBondContact CB-O 3.3Å; L151-T160 PolarHBondContact N-O 2.86Å; L151-L162 HydrophobicContact CD1-CD2 4.06Å; L151-L162 HydrophobicContact CD2-CD1 4.48Å; L151-L162 HydrophobicContact CG-CD2 4.24Å; L151-L162 HydrophobicContact CG-CG 4.47Å; L151-L223 HydrophobicContact CD1-CD1 3.91Å; L151-V224 HydrophobicContact CD2-CG2 3.74Å
152	H	94.3	Very high	86.3	Confident	11 Å²	11	51.9 Å²	51.9	5%	0.051	27%	0.274	C	S	.	.			trans	-70.8	144.5	176.2	-165	-101.4	0	0	0	111.7	H102 P112 V115 W124 D154 G155 G158	H102-H152 AromaticContact CE1-NE2 3.78Å; H102-H152 AromaticContact CG-CD2 3.91Å; H102-H152 AromaticContact CG-NE2 3.53Å; H102-H152 AromaticContact ND1-CD2 3.82Å; H102-H152 AromaticContact ND1-CE1 3.69Å; H102-H152 AromaticContact ND1-NE2 2.97Å; H102-H152 PolarHBondContact ND1-NE2 3.16Å; P112-H152 WeakPolarHBondContact CB-ND1 3.4Å; P112-H152 WeakPolarHBondContact O-CB 3.44Å; V115-H152 HydrophobicContact CG2-CB 4.31Å; W124-H152 HydrophobicContact CH2-CB 4.03Å; W124-H152 AromaticContact CH2-CD2 3.48Å; W124-H152 VanDerWaalsContact CH2-CD2 3.48Å; W124-H152 WeakPolarHBondContact CH2-CD2 3.37Å; W124-H152 HydrophobicContact CZ3-CB 3.84Å; W124-H152 AromaticContact CZ3-CD2 3.77Å; H152-D154 IonicContact CE1-OD2 3.5Å; H152-D154 PolarHBondContact CE1-OD2 2.96Å; H152-D154 PolarHBondContact ND1-N 3.35Å; H152-D154 IonicContact ND1-OD2 3.97Å; H152-D154 PolarHBondContact ND1-OD2 3.22Å; H152-D154 PolarHBondContact O-N 3.21Å; H152-D154 VanDerWaalsContact O-N 3.14Å; H152-G155 WeakPolarHBondContact O-CA 3.37Å; H152-G155 PolarHBondContact O-N 3.43Å; H152-G158 CarbonylContact O-C 3.55Å; H152-G158 VanDerWaalsContact O-C 3.27Å
153	K	91.4	Very high	86.8	Confident	123 Å²	123	53.3 Å²	53.3	54%	0.535	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-32.8	178.2	54.4	154.3	-169.3	140.7	0	115.2	G158 E159	K153-G158 WeakPolarHBondContact O-CA 3.43Å; K153-E159 HydrophobicContact CB-CB 4.06Å
154	D	89.9	Confident	87.2	Confident	94 Å²	94	49.4 Å²	49.4	50%	0.503	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14.8	178.4	-38.4	-57.1	0	0	0	111.9	P112 H152	P112-D154 HydrophobicContact CB-CB 4.06Å; H152-D154 IonicContact CE1-OD2 3.5Å; H152-D154 PolarHBondContact CE1-OD2 2.96Å; H152-D154 PolarHBondContact ND1-N 3.35Å; H152-D154 IonicContact ND1-OD2 3.97Å; H152-D154 PolarHBondContact ND1-OD2 3.22Å; H152-D154 PolarHBondContact O-N 3.21Å; H152-D154 VanDerWaalsContact O-N 3.14Å
155	G	85.1	Confident	87.6	Confident	13 Å²	13	56.9 Å²	56.9	13%	0.134	28%	0.283	C	S	.	.	S	Bend	trans	-85.9	175.3	175.8	0	0	0	0	0	113.4	H152 L157 G158	H152-G155 WeakPolarHBondContact O-CA 3.37Å; H152-G155 PolarHBondContact O-N 3.43Å; G155-L157 PolarHBondContact O-N 2.97Å; G155-G158 PolarHBondContact O-N 3.44Å
156	P	83.4	Confident	88	Confident	63 Å²	63	56.3 Å²	56.3	41%	0.409	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.5	-168.9	-26.5	35.3	0	0	0	116.7
157	L	83.6	Confident	87.8	Confident	91 Å²	91	59.4 Å²	59.4	48%	0.476	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	19.2	178	-58.7	179.8	0	0	0	112.6	L151 G155 T160 L223	L151-L157 HydrophobicContact CD1-CB 4.04Å; L151-L157 HydrophobicContact CD1-CD1 4.35Å; G155-L157 PolarHBondContact O-N 2.97Å; L157-T160 PolarHBondContact O-OG1 3.22Å; L157-L223 HydrophobicContact CD1-CD1 3.45Å; L157-L223 VanDerWaalsContact CD1-CD1 3.45Å; L157-L223 HydrophobicContact CG-CD1 4.38Å
158	G	86.3	Confident	87.9	Confident	21 Å²	21	59 Å²	59	22%	0.216	32%	0.315	C	S	.	.			trans	60.5	-162.2	-175.1	0	0	0	0	0	114.6	L151 H152 K153 G155 T160	L151-G158 WeakPolarHBondContact CB-O 3.3Å; H152-G158 CarbonylContact O-C 3.55Å; H152-G158 VanDerWaalsContact O-C 3.27Å; K153-G158 WeakPolarHBondContact O-CA 3.43Å; G155-G158 PolarHBondContact O-N 3.44Å; G158-T160 VanDerWaalsContact C-N 3.28Å; G158-T160 PolarHBondContact O-N 3.25Å
159	E	89.9	Confident	87.6	Confident	148 Å²	148	57.4 Å²	57.4	69%	0.692	31%	0.312	S	S	*	.	S	Bend	trans	-76.7	76.4	-178.8	-165.1	172.1	162.6	0	0	111.4	T150 K153	T150-E159 HydrophobicContact CG2-CG 4.07Å; K153-E159 HydrophobicContact CB-CB 4.06Å
160	T	88	Confident	87.3	Confident	60 Å²	60	62.1 Å²	62.1	37%	0.368	33%	0.33	S	S	.	.			trans	-112.3	128.7	-176.8	-64.9	0	0	0	0	110.9	L151 L157 G158	L151-T160 PolarHBondContact N-O 2.86Å; L157-T160 PolarHBondContact O-OG1 3.22Å; G158-T160 VanDerWaalsContact C-N 3.28Å; G158-T160 PolarHBondContact O-N 3.25Å
161	V	90.9	Very high	86.8	Confident	48 Å²	48	62.3 Å²	62.3	29%	0.291	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-76.6	128.7	166.9	-176.2	0	0	0	0	108.4	T150 E163 R170	T150-V161 HydrophobicContact CG2-CG2 4.08Å; V161-E163 PolarHBondContact O-N 3.34Å; V161-R170 HydrophobicContact CG1-CG 4.09Å
162	L	91.2	Very high	86.5	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.329	C	S	.	.			trans	-80.3	107.7	-178	-62.3	-175.1	0	0	0	111.3	V149 L151 R170 L175 L188 L213 F219 L223	V149-L162 HydrophobicContact CG2-CB 4.21Å; V149-L162 HydrophobicContact CG2-CD1 3.65Å; V149-L162 HydrophobicContact CG2-CG 4.01Å; V149-L162 PolarHBondContact O-N 3.49Å; L151-L162 HydrophobicContact CD1-CD2 4.06Å; L151-L162 HydrophobicContact CD2-CD1 4.48Å; L151-L162 HydrophobicContact CG-CD2 4.24Å; L151-L162 HydrophobicContact CG-CG 4.47Å; L162-R170 WeakPolarHBondContact O-CA 3.47Å; L162-L175 HydrophobicContact CB-CD1 4.25Å; L162-L175 WeakPolarHBondContact O-CD1 3.45Å; L162-L188 HydrophobicContact CD2-CD1 4.16Å; L162-L213 HydrophobicContact CD1-CD1 4.26Å; L162-F219 HydrophobicContact CD1-CD1 4.46Å; L162-F219 HydrophobicContact CD1-CE1 3.89Å; L162-L223 HydrophobicContact CD1-CD2 4.07Å; L162-L223 HydrophobicContact CD2-CD1 4.39Å
163	E	90.2	Very high	86.1	Confident	73 Å²	73	62.3 Å²	62.3	34%	0.341	33%	0.33	S	S	.	.			trans	-137.1	159.9	178.9	61.2	-172.7	-145.8	0	0	114.1	V161 C169 R170	V161-E163 PolarHBondContact O-N 3.34Å; E163-C169 WeakPolarHBondContact CA-O 3.41Å; E163-R170 HydrophobicContact CB-CG 3.73Å; E163-R170 IonicContact OE2-CZ 2.91Å; E163-R170 IonicContact OE2-NE 3.97Å; E163-R170 PolarHBondContact OE2-NE 2.95Å; E163-R170 IonicContact OE2-NH2 2.65Å; E163-R170 PolarHBondContact OE2-NH2 2.62Å
164	C	86.4	Confident	85.7	Confident	2 Å²	2	58 Å²	58	1%	0.014	31%	0.312	C	S	.	.			trans	-74.3	122.2	178.4	177.1	0	0	0	0	111.1	N166 C167 G168 C169 L175 C190	C164-N166 PolarHBondContact O-N 3.15Å; C164-N166 VanDerWaalsContact O-N 3.1Å; C164-C167 PolarHBondContact O-N 3.16Å; C164-C167 PolarHBondContact SG-SG 3.01Å; C164-G168 WeakPolarHBondContact O-CA 3.27Å; C164-G168 PolarHBondContact O-N 3.24Å; C164-C169 HydrophobicContact CB-CB 4.23Å; C164-C169 PolarHBondContact N-O 2.94Å; C164-L175 HydrophobicContact CB-CD2 3.66Å; C164-C190 VanDerWaalsContact CB-SG 3.51Å; C164-C190 PolarHBondContact SG-N 3Å
165	Y	85.1	Confident	85.7	Confident	199 Å²	199	53.5 Å²	53.5	78%	0.78	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31	179.8	-173.6	-96.4	0	0	0	114	V187 L188	Y165-V187 HydrophobicContact CD1-CG1 4.18Å; Y165-V187 HydrophobicContact CG-CG1 4Å; Y165-L188 PolarHBondContact N-O 2.92Å
166	N	81.7	Confident	85.7	Confident	91 Å²	91	52.9 Å²	52.9	49%	0.487	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-36.4	-178.2	-173.6	-48	0	0	0	113	C164 L189 C194	C164-N166 PolarHBondContact O-N 3.15Å; C164-N166 VanDerWaalsContact O-N 3.1Å; N166-L189 HydrophobicContact CB-CD2 3.77Å; N166-C194 HydrophobicContact CB-CB 4.15Å
167	C	78.1	Confident	85.9	Confident	69 Å²	69	51 Å²	51	47%	0.466	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	9.4	-168.6	72.1	0	0	0	0	116.6	C164 C169	C164-C167 PolarHBondContact O-N 3.16Å; C164-C167 PolarHBondContact SG-SG 3.01Å; C167-C169 PolarHBondContact O-N 2.89Å
168	G	82.9	Confident	85.9	Confident	37 Å²	37	46.7 Å²	46.7	38%	0.381	25%	0.245	S	C	.	.			trans	65.7	6.8	177.9	0	0	0	0	0	115.6	C164 R170	C164-G168 WeakPolarHBondContact O-CA 3.27Å; C164-G168 PolarHBondContact O-N 3.24Å; G168-R170 PolarHBondContact O-N 2.95Å
169	C	80.9	Confident	85.3	Confident	41 Å²	41	47.6 Å²	47.6	28%	0.277	25%	0.247	S	C	.	.			trans	-70.2	120.1	-176.4	-174.5	0	0	0	0	111.8	E163 C164 C167 C190	E163-C169 WeakPolarHBondContact CA-O 3.41Å; C164-C169 HydrophobicContact CB-CB 4.23Å; C164-C169 PolarHBondContact N-O 2.94Å; C167-C169 PolarHBondContact O-N 2.89Å; C169-C190 VanDerWaalsContact CB-SG 3.56Å
170	R	87	Confident	84.1	Confident	98 Å²	98	41.8 Å²	41.8	37%	0.37	22%	0.224	S	C	.	.			trans	-86.8	3.9	-176.4	-73.2	166.9	-176.5	-173.1	-2.7	115.9	E148 V161 L162 E163 G168 V172	E148-R170 HydrophobicContact CB-CB 4.1Å; E148-R170 HydrophobicContact CG-CB 3.61Å; V161-R170 HydrophobicContact CG1-CG 4.09Å; L162-R170 WeakPolarHBondContact O-CA 3.47Å; E163-R170 HydrophobicContact CB-CG 3.73Å; E163-R170 IonicContact OE2-CZ 2.91Å; E163-R170 IonicContact OE2-NE 3.97Å; E163-R170 PolarHBondContact OE2-NE 2.95Å; E163-R170 IonicContact OE2-NH2 2.65Å; E163-R170 PolarHBondContact OE2-NH2 2.62Å; G168-R170 PolarHBondContact O-N 2.95Å; R170-V172 PolarHBondContact O-N 3.07Å
171	N	82.6	Confident	82.7	Confident	20 Å²	20	45.8 Å²	45.8	11%	0.107	24%	0.237	C	C	.	.			trans	-80.5	99.4	-173	-177.8	0.8	0	0	0	111.4	K147 F173 L174 L175 S740	K147-N171 HydrophobicContact CB-CB 4.4Å; N171-F173 PolarHBondContact O-N 2.93Å; N171-F173 VanDerWaalsContact O-N 3.14Å; N171-F173 PolarHBondContact OD1-N 2.93Å; N171-L174 HydrophobicContact CB-CB 4.26Å; N171-L174 WeakPolarHBondContact O-CA 3.49Å; N171-L174 WeakPolarHBondContact O-CB 3.43Å; N171-L174 PolarHBondContact O-N 3.15Å; N171-L175 PolarHBondContact O-N 2.87Å; N171-S740 PolarHBondContact ND2-O 2.93Å
172	V	87.5	Confident	80.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.4	-35.4	-176	-171.4	0	0	0	0	112.8	M141 K147 V149 R170 L174 L175 L213 I214 F219	M141-V172 HydrophobicContact CE-CB 4.13Å; M141-V172 HydrophobicContact CE-CG2 4.06Å; K147-V172 PolarHBondContact O-N 2.95Å; K147-V172 VanDerWaalsContact O-N 3.11Å; V149-V172 HydrophobicContact CB-CG2 4.49Å; V149-V172 HydrophobicContact CG1-CG2 4.27Å; V149-V172 HydrophobicContact CG2-CG2 3.59Å; R170-V172 PolarHBondContact O-N 3.07Å; V172-L174 PolarHBondContact O-N 2.84Å; V172-L175 PolarHBondContact O-N 2.88Å; V172-L175 VanDerWaalsContact O-N 3.07Å; V172-L213 HydrophobicContact CG1-CB 4.1Å; V172-L213 HydrophobicContact CG1-CD1 4.38Å; V172-I214 HydrophobicContact CB-CD1 4.27Å; V172-I214 HydrophobicContact CG1-CD1 3.68Å; V172-I214 HydrophobicContact CG1-CG1 3.9Å; V172-F219 HydrophobicContact CG1-CD1 4.46Å; V172-F219 HydrophobicContact CG1-CE1 3.61Å; V172-F219 HydrophobicContact CG1-CZ 3.79Å; V172-F219 HydrophobicContact CG2-CE1 4.4Å; V172-F219 HydrophobicContact CG2-CZ 4.33Å
173	F	84.9	Confident	79	Confident	15 Å²	15	53.3 Å²	53.3	7%	0.066	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66.3	-16.1	177.3	-57	-72	0	0	0	113.9	M141 V142 N171 I214 I738 A739	M141-F173 HydrophobicContact CB-CE2 4.23Å; M141-F173 HydrophobicContact CB-CZ 3.83Å; M141-F173 HydrophobicContact CE-CE2 3.96Å; M141-F173 HydrophobicContact CE-CZ 4.22Å; V142-F173 HydrophobicContact CG2-CE1 4.05Å; V142-F173 HydrophobicContact CG2-CZ 3.87Å; N171-F173 PolarHBondContact O-N 2.93Å; N171-F173 VanDerWaalsContact O-N 3.14Å; N171-F173 PolarHBondContact OD1-N 2.93Å; F173-I214 HydrophobicContact CD1-CD1 3.66Å; F173-I214 HydrophobicContact CE1-CD1 3.76Å; F173-I214 HydrophobicContact CG-CD1 4.45Å; F173-I738 HydrophobicContact CD1-CB 4.29Å; F173-I738 HydrophobicContact CD1-CD1 4.48Å; F173-I738 HydrophobicContact CD1-CG2 3.7Å; F173-I738 HydrophobicContact CE1-CD1 4.4Å; F173-I738 HydrophobicContact CE1-CG2 4.13Å; F173-I738 HydrophobicContact CG-CG2 4.47Å; F173-A739 WeakPolarHBondContact CB-O 3.16Å
174	L	84.3	Confident	77.5	Confident	32 Å²	32	56 Å²	56	17%	0.168	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-100.1	-18.1	173.6	-171.1	67.1	0	0	0	112.2	N171 V172 C190 R191	N171-L174 HydrophobicContact CB-CB 4.26Å; N171-L174 WeakPolarHBondContact O-CA 3.49Å; N171-L174 WeakPolarHBondContact O-CB 3.43Å; N171-L174 PolarHBondContact O-N 3.15Å; V172-L174 PolarHBondContact O-N 2.84Å; L174-C190 HydrophobicContact CD2-CB 3.98Å; L174-C190 HydrophobicContact CG-CB 3.93Å; L174-C190 WeakPolarHBondContact O-CA 3.3Å; L174-R191 HydrophobicContact CD1-CB 3.81Å; L174-R191 PolarHBondContact O-N 3.43Å
175	L	88.9	Confident	76.6	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.8	-177.9	-68.5	177.3	0	0	0	112.7	L162 C164 N171 V172 L213	L162-L175 HydrophobicContact CB-CD1 4.25Å; L162-L175 WeakPolarHBondContact O-CD1 3.45Å; C164-L175 HydrophobicContact CB-CD2 3.66Å; N171-L175 PolarHBondContact O-N 2.87Å; V172-L175 PolarHBondContact O-N 2.88Å; V172-L175 VanDerWaalsContact O-N 3.07Å; L175-L213 HydrophobicContact CB-CD1 3.68Å; L175-L213 HydrophobicContact CB-CG 4.04Å; L175-L213 HydrophobicContact CD1-CD1 4.2Å; L175-L213 PolarHBondContact O-N 3.14Å
176	G	86.8	Confident	76.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	171.9	169.9	0	0	0	0	0	109.5	L188 L189 W210 Q211	G176-L188 WeakPolarHBondContact O-CA 3.49Å; G176-L189 PolarHBondContact N-O 3.06Å; G176-L189 VanDerWaalsContact N-O 3.15Å; G176-L189 PolarHBondContact O-N 3.33Å; G176-L189 VanDerWaalsContact O-O 3.1Å; G176-W210 VanDerWaalsContact N-CZ2 3.29Å; G176-Q211 CarbonylContact C-O 3.52Å; G176-Q211 WeakPolarHBondContact CA-O 3.22Å
177	F	87.3	Confident	76.2	Confident	23 Å²	23	49.7 Å²	49.7	10%	0.101	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.9	-173.4	77.5	-86.5	0	0	0	111.9	V186 V187 L188 W210 Q211 L220 W222	F177-V186 HydrophobicContact CB-CG1 3.53Å; F177-V186 HydrophobicContact CD2-CG1 3.7Å; F177-V186 HydrophobicContact CG-CG1 3.94Å; F177-V187 WeakPolarHBondContact CA-O 3.35Å; F177-L188 HydrophobicContact CB-CD2 4.12Å; F177-W210 WeakPolarHBondContact O-CA 3.18Å; F177-Q211 HydrophobicContact CD1-CB 4.03Å; F177-Q211 WeakPolarHBondContact CD1-O 3.29Å; F177-Q211 HydrophobicContact CE1-CB 3.5Å; F177-Q211 VanDerWaalsContact CE1-CB 3.5Å; F177-Q211 HydrophobicContact CE1-CG 4.46Å; F177-Q211 HydrophobicContact CZ-CB 3.92Å; F177-Q211 HydrophobicContact CZ-CG 4.44Å; F177-Q211 PolarHBondContact N-O 2.89Å; F177-Q211 PolarHBondContact O-N 2.94Å; F177-L220 HydrophobicContact CD1-CD1 3.56Å; F177-L220 HydrophobicContact CE1-CD1 3.4Å; F177-L220 VanDerWaalsContact CE1-CD1 3.4Å; F177-W222 HydrophobicContact CB-CZ2 4.49Å; F177-W222 AromaticContact CD1-CZ2 3.9Å; F177-W222 HydrophobicContact CD1-CZ2 3.9Å; F177-W222 HydrophobicContact CD2-CZ2 4.41Å; F177-W222 HydrophobicContact CE1-CZ2 4.17Å; F177-W222 HydrophobicContact CG-CZ2 4.02Å
178	I	84	Confident	76.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.6	164.8	-51.7	-171.3	0	0	0	107.9	V187 L189 W205 D206 W210	I178-V187 PolarHBondContact N-O 2.96Å; I178-V187 PolarHBondContact O-N 3.08Å; I178-L189 HydrophobicContact CD1-CD1 3.84Å; I178-L189 HydrophobicContact CG1-CD1 4.35Å; I178-W205 HydrophobicContact CG2-CB 4.47Å; I178-W205 HydrophobicContact CG2-CE3 4.26Å; I178-D206 WeakPolarHBondContact CG2-O 3.11Å; I178-W210 HydrophobicContact CD1-CB 4.29Å; I178-W210 HydrophobicContact CG1-CB 4.03Å; I178-W210 HydrophobicContact CG1-CG 4.3Å
179	P	72.1	Confident	76.8	Confident	41 Å²	41	46.4 Å²	46.4	27%	0.266	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	144.3	172.8	31.2	-34.6	0	0	0	111.5	Q209	P179-Q209 HydrophobicContact CG-CB 4.29Å
180	A	65.1	Low	76.9	Confident	25 Å²	25	44.5 Å²	44.5	21%	0.207	26%	0.256	C	S	.	.			trans	-72.2	150.2	169.2	0	0	0	0	0	111.3	A182 V185 W205	A180-A182 VanDerWaalsContact C-N 3.32Å; A180-V185 WeakPolarHBondContact CB-O 3.48Å; A180-V185 PolarHBondContact N-O 2.83Å; A180-V185 VanDerWaalsContact N-O 3.17Å; A180-W205 HydrophobicContact CB-CH2 3.97Å; A180-W205 HydrophobicContact CB-CZ3 3.62Å
181	K	58.4	Low	76.5	Confident	145 Å²	145	40.6 Å²	40.6	63%	0.63	24%	0.241	S	C	*	.	S	Bend	trans	-81.6	-6.3	175.9	-76.8	-178.9	172.5	167.8	0	114.3	D206	K181-D206 WeakPolarHBondContact CE-OD2 3.3Å; K181-D206 IonicContact NZ-OD2 3.77Å; K181-D206 PolarHBondContact NZ-OD2 3.34Å
182	A	52	Low	75.9	Confident	91 Å²	91	41.8 Å²	41.8	75%	0.752	25%	0.246	S	C	*	.	S	Bend	trans	-129.3	-26.2	-171.4	0	0	0	0	0	114.8	A180	A180-A182 VanDerWaalsContact C-N 3.32Å
183	D	52	Low	75.1	Confident	115 Å²	115	45.4 Å²	45.4	62%	0.615	27%	0.269	S	S	*	.	S	Bend	trans	-133.1	162.6	-174.2	-67.8	-72	0	0	0	111.1	V185	D183-V185 HydrophobicContact CB-CB 4.29Å; D183-V185 HydrophobicContact CB-CG2 3.97Å; D183-V185 PolarHBondContact O-N 3.35Å
184	S	59.4	Low	74.7	Confident	129 Å²	129	44.8 Å²	44.8	90%	0.902	27%	0.267	S	S	*	.	S	Bend	trans	-73.3	22.8	170.8	57.4	0	0	0	0	113.9
185	V	66.7	Low	74.2	Confident	81 Å²	81	43.6 Å²	43.6	49%	0.491	26%	0.262	S	S	.	.			trans	-88.8	134	-179.4	177.2	0	0	0	0	109.9	A180 D183 V187	A180-V185 WeakPolarHBondContact CB-O 3.48Å; A180-V185 PolarHBondContact N-O 2.83Å; A180-V185 VanDerWaalsContact N-O 3.17Å; D183-V185 HydrophobicContact CB-CB 4.29Å; D183-V185 HydrophobicContact CB-CG2 3.97Å; D183-V185 PolarHBondContact O-N 3.35Å; V185-V187 HydrophobicContact CG1-CG2 4.46Å
186	V	74.9	Confident	73.3	Confident	64 Å²	64	44.3 Å²	44.3	39%	0.388	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.6	-176.7	176.7	0	0	0	0	108.7	F177 W222	F177-V186 HydrophobicContact CB-CG1 3.53Å; F177-V186 HydrophobicContact CD2-CG1 3.7Å; F177-V186 HydrophobicContact CG-CG1 3.94Å; V186-W222 HydrophobicContact CG1-CH2 3.98Å; V186-W222 HydrophobicContact CG1-CZ2 4.42Å
187	V	84.3	Confident	72	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.9	-176.8	-177	0	0	0	0	110.9	Y165 F177 I178 V185 L189 W205	Y165-V187 HydrophobicContact CD1-CG1 4.18Å; Y165-V187 HydrophobicContact CG-CG1 4Å; F177-V187 WeakPolarHBondContact CA-O 3.35Å; I178-V187 PolarHBondContact N-O 2.96Å; I178-V187 PolarHBondContact O-N 3.08Å; V185-V187 HydrophobicContact CG1-CG2 4.46Å; V187-L189 HydrophobicContact CG1-CD2 4.17Å; V187-L189 HydrophobicContact CG1-CG 4.1Å; V187-W205 HydrophobicContact CB-CH2 4.32Å; V187-W205 HydrophobicContact CB-CZ2 4.47Å; V187-W205 HydrophobicContact CB-CZ3 4.47Å; V187-W205 HydrophobicContact CG2-CH2 3.33Å; V187-W205 HydrophobicContact CG2-CZ2 3.56Å; V187-W205 HydrophobicContact CG2-CZ3 3.87Å
188	L	86.9	Confident	70.5	Confident	31 Å²	31	54 Å²	54	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.9	175	-59	-173.5	0	0	0	110.8	L162 Y165 G176 F177 L213	L162-L188 HydrophobicContact CD2-CD1 4.16Å; Y165-L188 PolarHBondContact N-O 2.92Å; G176-L188 WeakPolarHBondContact O-CA 3.49Å; F177-L188 HydrophobicContact CB-CD2 4.12Å; L188-L213 HydrophobicContact CD1-CD1 4.29Å; L188-L213 HydrophobicContact CD2-CD1 4.08Å; L188-L213 HydrophobicContact CD2-CD2 3.76Å; L188-L213 HydrophobicContact CD2-CG 4.28Å
189	L	87.1	Confident	69.2	Low	5 Å²	5	56.4 Å²	56.4	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.2	179	-65.9	177.1	0	0	0	111.5	N166 G176 I178 V187 R191 C194 L200 W210	N166-L189 HydrophobicContact CB-CD2 3.77Å; G176-L189 PolarHBondContact N-O 3.06Å; G176-L189 VanDerWaalsContact N-O 3.15Å; G176-L189 PolarHBondContact O-N 3.33Å; G176-L189 VanDerWaalsContact O-O 3.1Å; I178-L189 HydrophobicContact CD1-CD1 3.84Å; I178-L189 HydrophobicContact CG1-CD1 4.35Å; V187-L189 HydrophobicContact CG1-CD2 4.17Å; V187-L189 HydrophobicContact CG1-CG 4.1Å; L189-R191 PolarHBondContact O-N 3.14Å; L189-C194 HydrophobicContact CB-CB 4.33Å; L189-C194 HydrophobicContact CD2-CB 4.31Å; L189-L200 HydrophobicContact CD1-CD2 4.18Å; L189-W210 PolarHBondContact O-NE1 3.46Å
190	C	82.4	Confident	68.7	Low	1 Å²	1	55.4 Å²	55.4	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.1	168.7	-68.7	0	0	0	0	111.5	C164 C169 L174 Q192 C194 A195	C164-C190 VanDerWaalsContact CB-SG 3.51Å; C164-C190 PolarHBondContact SG-N 3Å; C169-C190 VanDerWaalsContact CB-SG 3.56Å; L174-C190 HydrophobicContact CD2-CB 3.98Å; L174-C190 HydrophobicContact CG-CB 3.93Å; L174-C190 WeakPolarHBondContact O-CA 3.3Å; C190-Q192 PolarHBondContact O-N 3.18Å; C190-C194 HydrophobicContact CB-CB 4.12Å; C190-A195 WeakPolarHBondContact O-CB 3.23Å; C190-A195 PolarHBondContact O-N 3.45Å
191	R	80	Confident	68.1	Low	16 Å²	16	62.5 Å²	62.5	6%	0.06	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-33.8	-48.8	169.4	-179.9	-156.2	-169.1	71.7	14.5	113.7	L174 L189 W210 E737 R748	L174-R191 HydrophobicContact CD1-CB 3.81Å; L174-R191 PolarHBondContact O-N 3.43Å; L189-R191 PolarHBondContact O-N 3.14Å; R191-W210 HydrophobicContact CB-CH2 4.08Å; R191-W210 HydrophobicContact CB-CZ2 3.75Å; R191-W210 HydrophobicContact CG-CH2 4.47Å; R191-E737 IonicContact CZ-OE1 2.71Å; R191-E737 IonicContact CZ-OE2 2.7Å; R191-E737 IonicContact NH1-OE1 2.67Å; R191-E737 PolarHBondContact NH1-OE1 2.85Å; R191-E737 IonicContact NH1-OE2 2.69Å; R191-E737 PolarHBondContact NH1-OE2 3.15Å; R191-E737 IonicContact NH2-OE1 2.83Å; R191-E737 PolarHBondContact NH2-OE1 3.5Å; R191-E737 IonicContact NH2-OE2 3.29Å; R191-R748 VanDerWaalsContact NH1-NH2 3.17Å; R191-R748 VanDerWaalsContact NH2-CG 3.29Å
192	Q	69.1	Low	67.8	Low	46 Å²	46	63 Å²	63	22%	0.215	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.7	147.6	175.5	-72.2	-62.2	-70.5	0	0	108.2	C190 C194 Y783	C190-Q192 PolarHBondContact O-N 3.18Å; Q192-C194 VanDerWaalsContact C-N 3.33Å; Q192-Y783 HydrophobicContact CG-CE2 4.42Å
193	P	70.6	Confident	68	Low	76 Å²	76	63.3 Å²	63.3	49%	0.494	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	cis	-75	-18.8	-10	32.5	-35.4	0	0	0	112.8	A195 S196 S199	P193-A195 PolarHBondContact O-N 3.23Å; P193-S196 WeakPolarHBondContact O-CB 3.33Å; P193-S196 PolarHBondContact O-N 3.18Å; P193-S196 PolarHBondContact O-OG 2.64Å; P193-S199 PolarHBondContact O-OG 2.8Å
194	C	76.4	Confident	68.4	Low	3 Å²	3	65.1 Å²	65.1	2%	0.02	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.7	-163.1	-53.3	0	0	0	0	115.6	N166 L189 C190 Q192 S196 L200	N166-C194 HydrophobicContact CB-CB 4.15Å; L189-C194 HydrophobicContact CB-CB 4.33Å; L189-C194 HydrophobicContact CD2-CB 4.31Å; C190-C194 HydrophobicContact CB-CB 4.12Å; Q192-C194 VanDerWaalsContact C-N 3.33Å; C194-S196 VanDerWaalsContact C-N 3.28Å; C194-S196 PolarHBondContact O-N 2.96Å; C194-L200 WeakPolarHBondContact O-CD2 3.47Å; C194-L200 WeakPolarHBondContact O-CG 3.27Å
195	A	74.7	Confident	68.8	Low	7 Å²	7	61.8 Å²	61.8	6%	0.058	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	8.2	175.6	0	0	0	0	0	114.4	C190 P193 S207 W210	C190-A195 WeakPolarHBondContact O-CB 3.23Å; C190-A195 PolarHBondContact O-N 3.45Å; P193-A195 PolarHBondContact O-N 3.23Å; A195-S207 WeakPolarHBondContact O-CB 3.27Å; A195-W210 HydrophobicContact CB-CB 4.48Å; A195-W210 HydrophobicContact CB-CG 3.97Å
196	S	68.8	Low	68.8	Low	15 Å²	15	59.6 Å²	59.6	11%	0.105	32%	0.317	C	S	.	.	S	Bend	trans	-83.4	143.5	174.4	77.4	0	0	0	0	111.6	P193 C194 S198 S199	P193-S196 WeakPolarHBondContact O-CB 3.33Å; P193-S196 PolarHBondContact O-N 3.18Å; P193-S196 PolarHBondContact O-OG 2.64Å; C194-S196 VanDerWaalsContact C-N 3.28Å; C194-S196 PolarHBondContact O-N 2.96Å; S196-S198 PolarHBondContact O-N 3.36Å; S196-S198 PolarHBondContact OG-OG 2.91Å; S196-S199 PolarHBondContact O-N 3.29Å; S196-S199 PolarHBondContact OG-OG 3.29Å; S196-S199 VanDerWaalsContact OG-OG 3.12Å
197	Q	59.4	Low	68.5	Low	146 Å²	146	57.8 Å²	57.8	68%	0.682	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-59.8	-29.8	179.2	-65.9	-177.4	-20.1	0	0	112.7	S199 L200 S207	Q197-S199 PolarHBondContact O-N 3.33Å; Q197-L200 PolarHBondContact O-N 2.83Å; Q197-S207 WeakPolarHBondContact CG-OG 3.4Å; Q197-S207 PolarHBondContact NE2-OG 3.43Å
198	S	56	Low	67.8	Low	82 Å²	82	61.7 Å²	61.7	57%	0.573	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.4	173.5	28	0	0	0	0	114.3	S196	S196-S198 PolarHBondContact O-N 3.36Å; S196-S198 PolarHBondContact OG-OG 2.91Å
199	S	57.2	Low	67.4	Low	50 Å²	50	63.9 Å²	63.9	35%	0.35	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-102.9	-4.5	-175.1	-58.8	0	0	0	0	114.6	P193 S196 Q197	P193-S199 PolarHBondContact O-OG 2.8Å; S196-S199 PolarHBondContact O-N 3.29Å; S196-S199 PolarHBondContact OG-OG 3.29Å; S196-S199 VanDerWaalsContact OG-OG 3.12Å; Q197-S199 PolarHBondContact O-N 3.33Å
200	L	60.8	Low	67.3	Low	19 Å²	19	64.6 Å²	64.6	10%	0.099	35%	0.347	C	S	.	.			trans	-116.9	24.5	-168.4	-67.3	169.9	0	0	0	113.1	L189 C194 Q197 D202 I203 W205	L189-L200 HydrophobicContact CD1-CD2 4.18Å; C194-L200 WeakPolarHBondContact O-CD2 3.47Å; C194-L200 WeakPolarHBondContact O-CG 3.27Å; Q197-L200 PolarHBondContact O-N 2.83Å; L200-D202 PolarHBondContact O-N 3.36Å; L200-I203 PolarHBondContact O-N 3.09Å; L200-W205 HydrophobicContact CD1-CB 4.48Å
201	K	53.8	Low	67.4	Low	174 Å²	174	69 Å²	69	76%	0.757	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.3	-166.6	-71.2	-172.4	176.2	-177.3	0	115.6
202	D	50.7	Low	67.7	Low	156 Å²	156	69.7 Å²	69.7	83%	0.834	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	5	-170.1	-51.4	-65.7	0	0	0	114.1	L200	L200-D202 PolarHBondContact O-N 3.36Å
203	I	56.8	Low	68.7	Low	98 Å²	98	67.5 Å²	67.5	50%	0.503	36%	0.364	S	S	.	.	S	Bend	trans	-142.7	140.4	-175	-32.7	172.6	0	0	0	112.8	L200 W205	L200-I203 PolarHBondContact O-N 3.09Å; I203-W205 HydrophobicContact CG2-CG 4.49Å; I203-W205 HydrophobicContact CG2-CZ2 4.47Å; I203-W205 PolarHBondContact O-N 2.77Å
204	N	60.5	Low	69.4	Low	153 Å²	153	64.7 Å²	64.7	82%	0.818	34%	0.344	S	S	*	.			trans	-68.6	29.7	-173.9	-73.5	-34.2	0	0	0	116.7
205	W	67.9	Low	69.7	Low	58 Å²	58	67.8 Å²	67.8	22%	0.22	36%	0.358	C	S	.	.			trans	-78.2	134.2	178.9	-58.7	114.1	0	0	0	112.3	I178 A180 V187 L200 I203 S207	I178-W205 HydrophobicContact CG2-CB 4.47Å; I178-W205 HydrophobicContact CG2-CE3 4.26Å; A180-W205 HydrophobicContact CB-CH2 3.97Å; A180-W205 HydrophobicContact CB-CZ3 3.62Å; V187-W205 HydrophobicContact CB-CH2 4.32Å; V187-W205 HydrophobicContact CB-CZ2 4.47Å; V187-W205 HydrophobicContact CB-CZ3 4.47Å; V187-W205 HydrophobicContact CG2-CH2 3.33Å; V187-W205 HydrophobicContact CG2-CZ2 3.56Å; V187-W205 HydrophobicContact CG2-CZ3 3.87Å; L200-W205 HydrophobicContact CD1-CB 4.48Å; I203-W205 HydrophobicContact CG2-CG 4.49Å; I203-W205 HydrophobicContact CG2-CZ2 4.47Å; I203-W205 PolarHBondContact O-N 2.77Å; W205-S207 PolarHBondContact O-N 3.13Å
206	D	67.3	Low	70	Confident	36 Å²	36	73.4 Å²	73.4	19%	0.193	39%	0.388	C	S	.	.			trans	-90.8	98	177.4	-162.1	-33	0	0	0	111.3	I178 K181 S208 Q209	I178-D206 WeakPolarHBondContact CG2-O 3.11Å; K181-D206 WeakPolarHBondContact CE-OD2 3.3Å; K181-D206 IonicContact NZ-OD2 3.77Å; K181-D206 PolarHBondContact NZ-OD2 3.34Å; D206-S208 PolarHBondContact O-N 2.98Å; D206-S208 WeakPolarHBondContact OD1-CB 3.37Å; D206-S208 PolarHBondContact OD1-N 2.74Å; D206-S208 VanDerWaalsContact OD1-N 3.09Å; D206-S208 PolarHBondContact OD1-OG 2.84Å; D206-Q209 HydrophobicContact CB-CB 4.44Å; D206-Q209 HydrophobicContact CB-CG 3.96Å; D206-Q209 PolarHBondContact O-N 3.01Å; D206-Q209 PolarHBondContact OD2-NE2 3.04Å
207	S	68.3	Low	70.6	Confident	25 Å²	25	75.3 Å²	75.3	18%	0.175	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-56.1	-22	179	65.8	0	0	0	0	114.3	A195 Q197 W205 Q209	A195-S207 WeakPolarHBondContact O-CB 3.27Å; Q197-S207 WeakPolarHBondContact CG-OG 3.4Å; Q197-S207 PolarHBondContact NE2-OG 3.43Å; W205-S207 PolarHBondContact O-N 3.13Å; S207-Q209 PolarHBondContact O-N 2.87Å
208	S	69.5	Low	72.1	Confident	98 Å²	98	69.9 Å²	69.9	69%	0.685	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-74.3	-17.5	178.6	74.1	0	0	0	0	113.1	D206	D206-S208 PolarHBondContact O-N 2.98Å; D206-S208 WeakPolarHBondContact OD1-CB 3.37Å; D206-S208 PolarHBondContact OD1-N 2.74Å; D206-S208 VanDerWaalsContact OD1-N 3.09Å; D206-S208 PolarHBondContact OD1-OG 2.84Å
209	Q	78.6	Confident	73.8	Confident	78 Å²	78	66 Å²	66	36%	0.364	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-98.4	7.3	-176.4	-54.4	-173.6	32.8	0	0	113.3	P179 D206 S207 Q211	P179-Q209 HydrophobicContact CG-CB 4.29Å; D206-Q209 HydrophobicContact CB-CB 4.44Å; D206-Q209 HydrophobicContact CB-CG 3.96Å; D206-Q209 PolarHBondContact O-N 3.01Å; D206-Q209 PolarHBondContact OD2-NE2 3.04Å; S207-Q209 PolarHBondContact O-N 2.87Å; Q209-Q211 PolarHBondContact O-N 3.23Å
210	W	85.5	Confident	75.3	Confident	19 Å²	19	64.5 Å²	64.5	7%	0.072	33%	0.331	C	S	.	.			trans	-63.3	129.3	175.6	-173.4	100.1	0	0	0	111.2	G176 F177 I178 L189 R191 A195 P212	G176-W210 VanDerWaalsContact N-CZ2 3.29Å; F177-W210 WeakPolarHBondContact O-CA 3.18Å; I178-W210 HydrophobicContact CD1-CB 4.29Å; I178-W210 HydrophobicContact CG1-CB 4.03Å; I178-W210 HydrophobicContact CG1-CG 4.3Å; L189-W210 PolarHBondContact O-NE1 3.46Å; R191-W210 HydrophobicContact CB-CH2 4.08Å; R191-W210 HydrophobicContact CB-CZ2 3.75Å; R191-W210 HydrophobicContact CG-CH2 4.47Å; A195-W210 HydrophobicContact CB-CB 4.48Å; A195-W210 HydrophobicContact CB-CG 3.97Å; W210-P212 HydrophobicContact CH2-CB 3.83Å; W210-P212 VanDerWaalsContact CZ3-CA 3.45Å; W210-P212 HydrophobicContact CZ3-CB 3.67Å; W210-P212 HydrophobicContact CZ3-CG 4.26Å; W210-P212 VanDerWaalsContact CZ3-N 3.25Å
211	Q	82.6	Confident	76.6	Confident	94 Å²	94	67.3 Å²	67.3	44%	0.439	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.2	174.8	-69.5	-172.8	1.3	0	0	111.5	G176 F177 Q209	G176-Q211 CarbonylContact C-O 3.52Å; G176-Q211 WeakPolarHBondContact CA-O 3.22Å; F177-Q211 HydrophobicContact CD1-CB 4.03Å; F177-Q211 WeakPolarHBondContact CD1-O 3.29Å; F177-Q211 HydrophobicContact CE1-CB 3.5Å; F177-Q211 VanDerWaalsContact CE1-CB 3.5Å; F177-Q211 HydrophobicContact CE1-CG 4.46Å; F177-Q211 HydrophobicContact CZ-CB 3.92Å; F177-Q211 HydrophobicContact CZ-CG 4.44Å; F177-Q211 PolarHBondContact N-O 2.89Å; F177-Q211 PolarHBondContact O-N 2.94Å; Q209-Q211 PolarHBondContact O-N 3.23Å
212	P	87.1	Confident	78.2	Confident	31 Å²	31	64.2 Å²	64.2	20%	0.201	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	148.1	-174.6	30.1	-34.9	0	0	0	112.2	W210 I214 L220	W210-P212 HydrophobicContact CH2-CB 3.83Å; W210-P212 VanDerWaalsContact CZ3-CA 3.45Å; W210-P212 HydrophobicContact CZ3-CB 3.67Å; W210-P212 HydrophobicContact CZ3-CG 4.26Å; W210-P212 VanDerWaalsContact CZ3-N 3.25Å; P212-I214 PolarHBondContact O-N 3.34Å; P212-L220 WeakPolarHBondContact O-CD1 3.18Å
213	L	89.5	Confident	80	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-68.4	-24.6	174.4	-75.4	-167.1	0	0	0	113.8	L162 V172 L175 L188 F219 L220 L223	L162-L213 HydrophobicContact CD1-CD1 4.26Å; V172-L213 HydrophobicContact CG1-CB 4.1Å; V172-L213 HydrophobicContact CG1-CD1 4.38Å; L175-L213 HydrophobicContact CB-CD1 3.68Å; L175-L213 HydrophobicContact CB-CG 4.04Å; L175-L213 HydrophobicContact CD1-CD1 4.2Å; L175-L213 PolarHBondContact O-N 3.14Å; L188-L213 HydrophobicContact CD1-CD1 4.29Å; L188-L213 HydrophobicContact CD2-CD1 4.08Å; L188-L213 HydrophobicContact CD2-CD2 3.76Å; L188-L213 HydrophobicContact CD2-CG 4.28Å; L213-F219 WeakPolarHBondContact O-CA 3.47Å; L213-L220 HydrophobicContact CD2-CD1 4.09Å; L213-L220 PolarHBondContact O-N 2.93Å; L213-L223 HydrophobicContact CD1-CD2 4.1Å; L213-L223 HydrophobicContact CD2-CD2 3.76Å; L213-L223 HydrophobicContact CG-CD2 4.42Å
214	I	87.1	Confident	81.6	Confident	16 Å²	16	52.3 Å²	52.3	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.4	173.9	-64.1	166.2	0	0	0	108.2	V138 V172 F173 P212 C218 F219 I738	V138-I214 HydrophobicContact CG2-CD1 4.12Å; V138-I214 HydrophobicContact CG2-CG1 4.27Å; V138-I214 HydrophobicContact CG2-CG2 4.05Å; V172-I214 HydrophobicContact CB-CD1 4.27Å; V172-I214 HydrophobicContact CG1-CD1 3.68Å; V172-I214 HydrophobicContact CG1-CG1 3.9Å; F173-I214 HydrophobicContact CD1-CD1 3.66Å; F173-I214 HydrophobicContact CE1-CD1 3.76Å; F173-I214 HydrophobicContact CG-CD1 4.45Å; P212-I214 PolarHBondContact O-N 3.34Å; I214-C218 CarbonylContact C-O 3.58Å; I214-C218 VanDerWaalsContact CA-O 3.29Å; I214-C218 WeakPolarHBondContact CA-O 3.26Å; I214-F219 HydrophobicContact CG1-CE2 4.48Å; I214-I738 HydrophobicContact CG2-CD1 3.93Å
215	Q	82.1	Confident	83.1	Confident	68 Å²	68	50.4 Å²	50.4	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.7	174.8	-172.2	-177	-36.9	0	0	108.6	R217 C218 L220	Q215-R217 PolarHBondContact O-N 2.81Å; Q215-C218 PolarHBondContact N-O 3.26Å; Q215-C218 PolarHBondContact O-N 3.11Å; Q215-C218 PolarHBondContact O-SG 3.13Å; Q215-C218 VanDerWaalsContact O-SG 3.34Å; Q215-L220 HydrophobicContact CB-CD2 4.27Å
216	D	80.4	Confident	84.2	Confident	126 Å²	126	51.5 Å²	51.5	67%	0.674	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	25.7	179.4	-62.8	-55.9	0	0	0	115.1
217	R	82.6	Confident	85.3	Confident	55 Å²	55	50 Å²	50	21%	0.208	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	23.3	-175.7	-54.5	170.9	170	-178.4	-6.7	115.8	S133 S135 V138 Q215 I738 Y745	S133-R217 WeakPolarHBondContact O-CD 3.31Å; S133-R217 PolarHBondContact O-NH1 3.39Å; S133-R217 PolarHBondContact OG-NH1 3.21Å; S135-R217 PolarHBondContact N-O 2.68Å; S135-R217 PolarHBondContact OG-O 2.56Å; V138-R217 WeakPolarHBondContact CB-O 3.46Å; V138-R217 HydrophobicContact CG1-CB 4.23Å; V138-R217 WeakPolarHBondContact CG2-O 3.18Å; Q215-R217 PolarHBondContact O-N 2.81Å; R217-I738 HydrophobicContact CG-CD1 4.3Å; R217-Y745 PolarHBondContact NH2-OH 2.93Å
218	C	89.8	Confident	86.2	Confident	32 Å²	32	51.4 Å²	51.4	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	163.6	161.8	54.4	0	0	0	0	110.6	N127 I214 Q215	N127-C218 VanDerWaalsContact OD1-CB 3.29Å; N127-C218 WeakPolarHBondContact OD1-CB 3.29Å; I214-C218 CarbonylContact C-O 3.58Å; I214-C218 VanDerWaalsContact CA-O 3.29Å; I214-C218 WeakPolarHBondContact CA-O 3.26Å; Q215-C218 PolarHBondContact N-O 3.26Å; Q215-C218 PolarHBondContact O-N 3.11Å; Q215-C218 PolarHBondContact O-SG 3.13Å; Q215-C218 VanDerWaalsContact O-SG 3.34Å
219	F	91.6	Very high	86.7	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	149.8	164.2	-76.7	-111.4	0	0	0	109.2	V116 N127 I137 V138 M141 V149 L162 V172 L213 I214 S221 L223 V224	V116-F219 HydrophobicContact CG1-CZ 4.48Å; N127-F219 PolarHBondContact ND2-O 2.95Å; N127-F219 PolarHBondContact OD1-N 3.19Å; I137-F219 HydrophobicContact CB-CE2 4.34Å; I137-F219 HydrophobicContact CG1-CE2 3.72Å; I137-F219 HydrophobicContact CG1-CZ 4.32Å; I137-F219 HydrophobicContact CG2-CD2 3.64Å; I137-F219 HydrophobicContact CG2-CE2 3.62Å; V138-F219 HydrophobicContact CG2-CD2 4.15Å; V138-F219 HydrophobicContact CG2-CE2 4.09Å; M141-F219 HydrophobicContact SD-CE2 4.28Å; M141-F219 HydrophobicContact SD-CZ 4.2Å; V149-F219 HydrophobicContact CG1-CZ 4.35Å; V149-F219 HydrophobicContact CG2-CE1 4.13Å; V149-F219 HydrophobicContact CG2-CZ 4.12Å; L162-F219 HydrophobicContact CD1-CD1 4.46Å; L162-F219 HydrophobicContact CD1-CE1 3.89Å; V172-F219 HydrophobicContact CG1-CD1 4.46Å; V172-F219 HydrophobicContact CG1-CE1 3.61Å; V172-F219 HydrophobicContact CG1-CZ 3.79Å; V172-F219 HydrophobicContact CG2-CE1 4.4Å; V172-F219 HydrophobicContact CG2-CZ 4.33Å; L213-F219 WeakPolarHBondContact O-CA 3.47Å; I214-F219 HydrophobicContact CG1-CE2 4.48Å; F219-S221 PolarHBondContact O-N 3.12Å; F219-L223 HydrophobicContact CD1-CD2 4.33Å; F219-V224 HydrophobicContact CB-CB 4.03Å; F219-V224 HydrophobicContact CB-CG2 3.92Å; F219-V224 HydrophobicContact CD1-CG2 4.02Å; F219-V224 HydrophobicContact CG-CG2 4.1Å
220	L	89.6	Confident	86.5	Confident	18 Å²	18	56.2 Å²	56.2	9%	0.094	28%	0.281	C	S	.	.			trans	-53.1	132.3	173.3	-66.2	166.3	0	0	0	111.2	F177 P212 L213 Q215 W222 L223 V224	F177-L220 HydrophobicContact CD1-CD1 3.56Å; F177-L220 HydrophobicContact CE1-CD1 3.4Å; F177-L220 VanDerWaalsContact CE1-CD1 3.4Å; P212-L220 WeakPolarHBondContact O-CD1 3.18Å; L213-L220 HydrophobicContact CD2-CD1 4.09Å; L213-L220 PolarHBondContact O-N 2.93Å; Q215-L220 HydrophobicContact CB-CD2 4.27Å; L220-W222 HydrophobicContact CD1-CZ2 3.83Å; L220-W222 PolarHBondContact O-N 3.4Å; L220-W222 VanDerWaalsContact O-N 3.14Å; L220-L223 HydrophobicContact CB-CB 4.43Å; L220-L223 WeakPolarHBondContact O-CB 3.5Å; L220-L223 PolarHBondContact O-N 3.14Å; L220-V224 PolarHBondContact O-N 3.37Å
221	S	88.2	Confident	86	Confident	78 Å²	78	59 Å²	59	55%	0.545	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.5	-171	53.4	0	0	0	0	115.2	F219 V224	F219-S221 PolarHBondContact O-N 3.12Å; S221-V224 WeakPolarHBondContact CA-O 3.41Å
222	W	86.5	Confident	85.6	Confident	109 Å²	109	55.9 Å²	55.9	41%	0.413	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-24.1	173.3	63.7	-102.7	0	0	0	113.1	F177 V186 L220	F177-W222 HydrophobicContact CB-CZ2 4.49Å; F177-W222 AromaticContact CD1-CZ2 3.9Å; F177-W222 HydrophobicContact CD1-CZ2 3.9Å; F177-W222 HydrophobicContact CD2-CZ2 4.41Å; F177-W222 HydrophobicContact CE1-CZ2 4.17Å; F177-W222 HydrophobicContact CG-CZ2 4.02Å; V186-W222 HydrophobicContact CG1-CH2 3.98Å; V186-W222 HydrophobicContact CG1-CZ2 4.42Å; L220-W222 HydrophobicContact CD1-CZ2 3.83Å; L220-W222 PolarHBondContact O-N 3.4Å; L220-W222 VanDerWaalsContact O-N 3.14Å
223	L	88.1	Confident	84.8	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-43.9	179.6	-179	61.9	0	0	0	111	L151 L157 L162 L213 F219 L220	L151-L223 HydrophobicContact CD1-CD1 3.91Å; L157-L223 HydrophobicContact CD1-CD1 3.45Å; L157-L223 VanDerWaalsContact CD1-CD1 3.45Å; L157-L223 HydrophobicContact CG-CD1 4.38Å; L162-L223 HydrophobicContact CD1-CD2 4.07Å; L162-L223 HydrophobicContact CD2-CD1 4.39Å; L213-L223 HydrophobicContact CD1-CD2 4.1Å; L213-L223 HydrophobicContact CD2-CD2 3.76Å; L213-L223 HydrophobicContact CG-CD2 4.42Å; F219-L223 HydrophobicContact CD1-CD2 4.33Å; L220-L223 HydrophobicContact CB-CB 4.43Å; L220-L223 WeakPolarHBondContact O-CB 3.5Å; L220-L223 PolarHBondContact O-N 3.14Å
224	V	91.8	Very high	84	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.012	34%	0.342	C	S	.	.	S	Bend	trans	-137.3	118.1	172	-168.2	0	0	0	0	107.7	V116 N127 L151 F219 L220 S221	V116-V224 HydrophobicContact CG2-CB 4.32Å; V116-V224 HydrophobicContact CG2-CG1 3.72Å; V116-V224 HydrophobicContact CG2-CG2 3.74Å; N127-V224 HydrophobicContact CB-CB 4.24Å; N127-V224 HydrophobicContact CB-CG1 3.76Å; N127-V224 PolarHBondContact ND2-O 2.99Å; L151-V224 HydrophobicContact CD2-CG2 3.74Å; F219-V224 HydrophobicContact CB-CB 4.03Å; F219-V224 HydrophobicContact CB-CG2 3.92Å; F219-V224 HydrophobicContact CD1-CG2 4.02Å; F219-V224 HydrophobicContact CG-CG2 4.1Å; L220-V224 PolarHBondContact O-N 3.37Å; S221-V224 WeakPolarHBondContact CA-O 3.41Å
225	K	92.1	Very high	83.5	Confident	113 Å²	113	70.9 Å²	70.9	49%	0.491	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-61.8	153.3	-179	-65.1	-174.2	-169.2	167.7	0	110.6	A113 C114 N127	A113-K225 HydrophobicContact CB-CB 4.42Å; A113-K225 HydrophobicContact CB-CD 3.69Å; A113-K225 HydrophobicContact CB-CG 4.09Å; A113-K225 WeakPolarHBondContact O-CB 3.11Å; A113-K225 PolarHBondContact O-N 3.27Å; C114-K225 WeakPolarHBondContact CA-O 3.48Å; C114-K225 VanDerWaalsContact SG-C 3.57Å; C114-K225 VanDerWaalsContact SG-CB 3.57Å; C114-K225 PolarHBondContact SG-O 3.14Å; C114-K225 VanDerWaalsContact SG-O 3.32Å; N127-K225 WeakPolarHBondContact CB-O 3.43Å
226	I	91	Very high	83.1	Confident	81 Å²	81	74.2 Å²	74.2	42%	0.415	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-94.1	127	170.1	-58.6	175.4	0	0	0	106.4
227	P	89.1	Confident	83.1	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.032	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58.2	148.2	179.1	-18.6	26.1	0	0	0	111.5	I109 C114 C126 E231 Q232	I109-P227 HydrophobicContact CD1-CB 4.12Å; I109-P227 HydrophobicContact CD1-CG 4.02Å; I109-P227 HydrophobicContact CG2-CB 4.22Å; I109-P227 HydrophobicContact CG2-CG 3.83Å; C114-P227 HydrophobicContact CB-CG 3.75Å; C114-P227 VanDerWaalsContact SG-N 3.37Å; C126-P227 HydrophobicContact CB-CG 4.45Å; P227-E231 HydrophobicContact CB-CB 4.26Å; P227-Q232 HydrophobicContact CB-CG 4.05Å; P227-Q232 PolarHBondContact O-NE2 3.47Å
228	S	87.8	Confident	82.9	Confident	55 Å²	55	70 Å²	70	39%	0.385	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-61	159.5	177.4	70.9	0	0	0	0	111.8	Q230 E231 Q232	S228-Q230 PolarHBondContact O-N 2.62Å; S228-E231 WeakPolarHBondContact CB-OE2 3.37Å; S228-E231 PolarHBondContact N-OE2 2.96Å; S228-E231 PolarHBondContact O-N 2.8Å; S228-E231 VanDerWaalsContact OG-CD 3.32Å; S228-E231 WeakPolarHBondContact OG-CG 3.28Å; S228-E231 PolarHBondContact OG-N 3.49Å; S228-E231 PolarHBondContact OG-OE2 3.41Å; S228-Q232 PolarHBondContact O-N 2.95Å
229	E	79.7	Confident	82.5	Confident	139 Å²	139	71.2 Å²	71.2	65%	0.65	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-31.1	178.4	-59.5	-166.3	142.3	0	0	111.7	Q232 L233	E229-Q232 PolarHBondContact O-N 3.06Å; E229-L233 WeakPolarHBondContact O-CB 3.45Å; E229-L233 WeakPolarHBondContact O-CD1 3.44Å; E229-L233 WeakPolarHBondContact O-CG 3.3Å; E229-L233 PolarHBondContact O-N 3.09Å
230	Q	74.4	Confident	81.9	Confident	138 Å²	138	73.1 Å²	73.1	65%	0.645	36%	0.355	S	S	*	.	H	α-helix	trans	-65	-40.1	174.3	-62.2	-174.2	6.8	0	0	112.2	S228 R234	S228-Q230 PolarHBondContact O-N 2.62Å; Q230-R234 WeakPolarHBondContact O-CB 3.4Å; Q230-R234 VanDerWaalsContact O-CG 3.29Å; Q230-R234 WeakPolarHBondContact O-CG 3.31Å; Q230-R234 PolarHBondContact O-N 3.49Å
231	E	74.3	Confident	81.2	Confident	78 Å²	78	79.5 Å²	79.5	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-70.3	-40.5	174.9	-68.1	161	120.9	0	0	111.6	P227 S228 L233 R234 A235	P227-E231 HydrophobicContact CB-CB 4.26Å; S228-E231 WeakPolarHBondContact CB-OE2 3.37Å; S228-E231 PolarHBondContact N-OE2 2.96Å; S228-E231 PolarHBondContact O-N 2.8Å; S228-E231 VanDerWaalsContact OG-CD 3.32Å; S228-E231 WeakPolarHBondContact OG-CG 3.28Å; S228-E231 PolarHBondContact OG-N 3.49Å; S228-E231 PolarHBondContact OG-OE2 3.41Å; E231-L233 VanDerWaalsContact C-N 3.28Å; E231-L233 PolarHBondContact O-N 2.92Å; E231-R234 PolarHBondContact O-N 3.17Å; E231-A235 WeakPolarHBondContact O-CB 3.44Å; E231-A235 PolarHBondContact O-N 2.71Å
232	Q	74.9	Confident	80.8	Confident	27 Å²	27	79.3 Å²	79.3	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-26.2	176.3	-69.3	-173.9	77.5	0	0	113.1	I109 G130 P227 S228 E229 Q237	I109-Q232 HydrophobicContact CD1-CG 4Å; G130-Q232 VanDerWaalsContact N-OE1 3.1Å; P227-Q232 HydrophobicContact CB-CG 4.05Å; P227-Q232 PolarHBondContact O-NE2 3.47Å; S228-Q232 PolarHBondContact O-N 2.95Å; E229-Q232 PolarHBondContact O-N 3.06Å; Q232-Q237 PolarHBondContact O-NE2 2.84Å
233	L	71.3	Confident	80.6	Confident	131 Å²	131	74.1 Å²	74.1	69%	0.686	36%	0.355	S	S	*	.	H	α-helix	trans	-78.9	-38.2	172.1	-73.3	167.2	0	0	0	112.7	E229 E231 A235 Q237	E229-L233 WeakPolarHBondContact O-CB 3.45Å; E229-L233 WeakPolarHBondContact O-CD1 3.44Å; E229-L233 WeakPolarHBondContact O-CG 3.3Å; E229-L233 PolarHBondContact O-N 3.09Å; E231-L233 VanDerWaalsContact C-N 3.28Å; E231-L233 PolarHBondContact O-N 2.92Å; L233-A235 VanDerWaalsContact C-N 3.33Å; L233-Q237 PolarHBondContact O-NE2 2.94Å; L233-Q237 VanDerWaalsContact O-NE2 3.08Å
234	R	72.8	Confident	80.2	Confident	216 Å²	216	77.5 Å²	77.5	82%	0.815	37%	0.373	S	S	*	.	H	α-helix	trans	-72.8	-22.8	175.7	-72.2	174	-179.5	-177.1	1.1	113.6	Q230 E231	Q230-R234 WeakPolarHBondContact O-CB 3.4Å; Q230-R234 VanDerWaalsContact O-CG 3.29Å; Q230-R234 WeakPolarHBondContact O-CG 3.31Å; Q230-R234 PolarHBondContact O-N 3.49Å; E231-R234 PolarHBondContact O-N 3.17Å
235	A	75.6	Confident	79.5	Confident	15 Å²	15	81.8 Å²	81.8	12%	0.124	39%	0.392	C	S	.	.	S	Bend	trans	-65.4	159.8	177	0	0	0	0	0	113.3	C107 I109 E231 L233 Q237	C107-A235 HydrophobicContact CB-CB 4.23Å; I109-A235 HydrophobicContact CD1-CB 3.86Å; I109-A235 HydrophobicContact CG1-CB 3.58Å; E231-A235 WeakPolarHBondContact O-CB 3.44Å; E231-A235 PolarHBondContact O-N 2.71Å; L233-A235 VanDerWaalsContact C-N 3.33Å; A235-Q237 PolarHBondContact O-N 2.96Å; A235-Q237 VanDerWaalsContact O-N 3.16Å; A235-Q237 PolarHBondContact O-NE2 2.73Å
236	R	74.6	Confident	79	Confident	138 Å²	138	76.5 Å²	76.5	52%	0.521	37%	0.369	S	S	.	.			trans	-61.5	117.9	175.6	-174.9	-174.2	-73.1	-150.6	0.1	109.1	C107 I238 E259	C107-R236 PolarHBondContact O-N 2.99Å; R236-I238 PolarHBondContact O-N 3.45Å; R236-E259 IonicContact CZ-OE1 3.06Å; R236-E259 IonicContact NH1-OE1 3.47Å; R236-E259 PolarHBondContact NH1-OE1 2.83Å; R236-E259 IonicContact NH2-OE1 3.07Å
237	Q	79.1	Confident	78.7	Confident	87 Å²	87	73.1 Å²	73.1	41%	0.407	35%	0.351	S	S	.	.			trans	-75.5	58.2	-173.1	-64.5	-56.4	-40.7	0	0	113.5	N131 Q232 L233 A235	N131-Q237 PolarHBondContact ND2-OE1 3.22Å; Q232-Q237 PolarHBondContact O-NE2 2.84Å; L233-Q237 PolarHBondContact O-NE2 2.94Å; L233-Q237 VanDerWaalsContact O-NE2 3.08Å; A235-Q237 PolarHBondContact O-N 2.96Å; A235-Q237 VanDerWaalsContact O-N 3.16Å; A235-Q237 PolarHBondContact O-NE2 2.73Å
238	I	78.9	Confident	78.1	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	37%	0.373	C	S	.	.			trans	-65.5	131.3	-179.8	-168.1	177.8	0	0	0	111.7	Y106 C107 R236 Q242 I243 L246 L258	Y106-I238 HydrophobicContact CD1-CD1 4.44Å; Y106-I238 HydrophobicContact CG-CD1 4.42Å; Y106-I238 WeakPolarHBondContact O-CD1 3.47Å; C107-I238 HydrophobicContact CB-CG2 4.3Å; R236-I238 PolarHBondContact O-N 3.45Å; I238-Q242 HydrophobicContact CD1-CB 4.5Å; I238-Q242 HydrophobicContact CG1-CB 3.85Å; I238-I243 HydrophobicContact CD1-CD1 4.2Å; I238-I243 HydrophobicContact CD1-CG1 3.4Å; I238-I243 VanDerWaalsContact CD1-CG1 3.4Å; I238-I243 HydrophobicContact CG1-CD1 4.4Å; I238-I243 HydrophobicContact CG1-CG1 3.85Å; I238-I243 HydrophobicContact CG2-CD1 4.14Å; I238-I243 HydrophobicContact CG2-CG1 4.46Å; I238-L246 HydrophobicContact CD1-CD2 4.39Å; I238-L258 HydrophobicContact CD1-CD1 4.09Å; I238-L258 HydrophobicContact CD1-CD2 3.8Å; I238-L258 HydrophobicContact CD1-CG 4.5Å; I238-L258 HydrophobicContact CG1-CD2 4.17Å
239	T	81.5	Confident	77.7	Confident	57 Å²	57	77.4 Å²	77.4	35%	0.35	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-83.5	156.8	176.8	65.1	0	0	0	0	112	Q241 Q242 I243	T239-Q241 PolarHBondContact O-N 3.25Å; T239-Q241 VanDerWaalsContact O-N 3.13Å; T239-Q242 PolarHBondContact O-N 2.96Å; T239-Q242 VanDerWaalsContact O-N 3.17Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.41Å; T239-Q242 PolarHBondContact OG1-N 3.45Å; T239-Q242 VanDerWaalsContact OG1-N 3.09Å; T239-Q242 PolarHBondContact OG1-OE1 3.36Å; T239-I243 PolarHBondContact O-N 2.83Å
240	A	78.6	Confident	77.9	Confident	41 Å²	41	72.2 Å²	72.2	34%	0.339	34%	0.341	S	S	.	.	H	α-helix	trans	-58.5	-23.9	170.8	0	0	0	0	0	113.4	T132 N244	T132-A240 HydrophobicContact CG2-CB 4.33Å; A240-N244 PolarHBondContact O-N 2.89Å; A240-N244 VanDerWaalsContact O-N 3.14Å; A240-N244 PolarHBondContact O-ND2 2.99Å; A240-N244 PolarHBondContact O-OD1 3.32Å
241	Q	75.9	Confident	77.9	Confident	153 Å²	153	71.2 Å²	71.2	72%	0.715	33%	0.334	S	S	*	.	H	α-helix	trans	-77.5	-41.8	174.8	-65.8	-168.7	9.1	0	0	112.6	T239 I243 N244 K245	T239-Q241 PolarHBondContact O-N 3.25Å; T239-Q241 VanDerWaalsContact O-N 3.13Å; Q241-I243 VanDerWaalsContact C-N 3.33Å; Q241-I243 PolarHBondContact O-N 2.74Å; Q241-N244 VanDerWaalsContact O-CB 3.32Å; Q241-N244 WeakPolarHBondContact O-CB 3.28Å; Q241-N244 PolarHBondContact O-N 2.93Å; Q241-N244 VanDerWaalsContact O-N 3.11Å; Q241-K245 PolarHBondContact O-N 2.98Å; Q241-K245 VanDerWaalsContact O-N 3.11Å
242	Q	78.9	Confident	77.8	Confident	73 Å²	73	72.9 Å²	72.9	34%	0.341	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-41.3	172.4	-75.7	155	-43.7	0	0	111.1	I238 T239 N244 K245 L246 L258 L261	I238-Q242 HydrophobicContact CD1-CB 4.5Å; I238-Q242 HydrophobicContact CG1-CB 3.85Å; T239-Q242 PolarHBondContact O-N 2.96Å; T239-Q242 VanDerWaalsContact O-N 3.17Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.41Å; T239-Q242 PolarHBondContact OG1-N 3.45Å; T239-Q242 VanDerWaalsContact OG1-N 3.09Å; T239-Q242 PolarHBondContact OG1-OE1 3.36Å; Q242-N244 VanDerWaalsContact C-N 3.31Å; Q242-N244 PolarHBondContact O-N 3.38Å; Q242-K245 PolarHBondContact O-N 3.15Å; Q242-L246 VanDerWaalsContact O-CB 3.27Å; Q242-L246 WeakPolarHBondContact O-CB 3.45Å; Q242-L246 PolarHBondContact O-N 3.07Å; Q242-L258 HydrophobicContact CB-CD2 4.04Å; Q242-L261 HydrophobicContact CB-CD1 4.29Å; Q242-L261 HydrophobicContact CG-CD1 4.33Å
243	I	82.3	Confident	78	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.2	-39.5	171.7	-67.9	166.5	0	0	0	111.6	Y106 T132 I238 T239 Q241 K245 E247	Y106-I243 HydrophobicContact CD1-CG1 4.2Å; Y106-I243 HydrophobicContact CD2-CD1 3.82Å; Y106-I243 HydrophobicContact CD2-CG1 4.17Å; Y106-I243 HydrophobicContact CE1-CG1 4.27Å; Y106-I243 HydrophobicContact CE1-CG2 3.95Å; Y106-I243 HydrophobicContact CE2-CD1 4.04Å; Y106-I243 HydrophobicContact CE2-CG1 4.29Å; Y106-I243 HydrophobicContact CE2-CG2 4.01Å; Y106-I243 HydrophobicContact CG-CD1 4.2Å; Y106-I243 HydrophobicContact CG-CG1 4.15Å; Y106-I243 WeakPolarHBondContact OH-CG2 3.44Å; T132-I243 HydrophobicContact CG2-CD1 3.71Å; I238-I243 HydrophobicContact CD1-CD1 4.2Å; I238-I243 HydrophobicContact CD1-CG1 3.4Å; I238-I243 VanDerWaalsContact CD1-CG1 3.4Å; I238-I243 HydrophobicContact CG1-CD1 4.4Å; I238-I243 HydrophobicContact CG1-CG1 3.85Å; I238-I243 HydrophobicContact CG2-CD1 4.14Å; I238-I243 HydrophobicContact CG2-CG1 4.46Å; T239-I243 PolarHBondContact O-N 2.83Å; Q241-I243 VanDerWaalsContact C-N 3.33Å; Q241-I243 PolarHBondContact O-N 2.74Å; I243-K245 PolarHBondContact O-N 3.16Å; I243-E247 HydrophobicContact CG2-CG 4.15Å; I243-E247 VanDerWaalsContact O-CB 3.3Å; I243-E247 WeakPolarHBondContact O-CB 3.33Å; I243-E247 WeakPolarHBondContact O-CG 3.38Å; I243-E247 PolarHBondContact O-N 2.84Å
244	N	78.8	Confident	78.5	Confident	73 Å²	73	73.3 Å²	73.3	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-57.3	-49.8	175.3	-63.8	-31.9	0	0	0	111.4	R143 A240 Q241 Q242 E248	R143-N244 PolarHBondContact NH1-OD1 3.14Å; R143-N244 PolarHBondContact NH2-OD1 3.15Å; A240-N244 PolarHBondContact O-N 2.89Å; A240-N244 VanDerWaalsContact O-N 3.14Å; A240-N244 PolarHBondContact O-ND2 2.99Å; A240-N244 PolarHBondContact O-OD1 3.32Å; Q241-N244 VanDerWaalsContact O-CB 3.32Å; Q241-N244 WeakPolarHBondContact O-CB 3.28Å; Q241-N244 PolarHBondContact O-N 2.93Å; Q241-N244 VanDerWaalsContact O-N 3.11Å; Q242-N244 VanDerWaalsContact C-N 3.31Å; Q242-N244 PolarHBondContact O-N 3.38Å; N244-E248 WeakPolarHBondContact O-CB 3.44Å; N244-E248 PolarHBondContact O-N 2.73Å; N244-E248 VanDerWaalsContact O-N 3.17Å
245	K	78	Confident	78.7	Confident	91 Å²	91	65.9 Å²	65.9	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-71.7	-38.4	-178.1	-61.8	-161.8	-176.2	-168.1	0	112.5	Q241 Q242 I243 E248 L249 L261 D267	Q241-K245 PolarHBondContact O-N 2.98Å; Q241-K245 VanDerWaalsContact O-N 3.11Å; Q242-K245 PolarHBondContact O-N 3.15Å; I243-K245 PolarHBondContact O-N 3.16Å; K245-E248 WeakPolarHBondContact O-CA 3.48Å; K245-E248 VanDerWaalsContact O-CB 3.32Å; K245-E248 WeakPolarHBondContact O-CB 3.16Å; K245-E248 PolarHBondContact O-N 2.89Å; K245-E248 VanDerWaalsContact O-N 3.1Å; K245-L249 PolarHBondContact O-N 3.15Å; K245-L261 HydrophobicContact CB-CD1 4.25Å; K245-L261 HydrophobicContact CB-CD2 3.42Å; K245-L261 VanDerWaalsContact CB-CD2 3.42Å; K245-L261 HydrophobicContact CB-CG 4.48Å; K245-L261 HydrophobicContact CD-CD2 4.25Å; K245-L261 HydrophobicContact CG-CD2 4.49Å; K245-D267 IonicContact NZ-OD2 3.38Å; K245-D267 PolarHBondContact NZ-OD2 3.44Å
246	L	82.1	Confident	78.8	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-44.1	179.3	-175	65.9	0	0	0	111.8	Y106 I238 Q242 E248 L249 W250 T257 L258	Y106-L246 HydrophobicContact CD1-CD2 4.16Å; I238-L246 HydrophobicContact CD1-CD2 4.39Å; Q242-L246 VanDerWaalsContact O-CB 3.27Å; Q242-L246 WeakPolarHBondContact O-CB 3.45Å; Q242-L246 PolarHBondContact O-N 3.07Å; L246-E248 PolarHBondContact O-N 3.13Å; L246-L249 PolarHBondContact O-N 3.03Å; L246-W250 HydrophobicContact CD1-CZ2 4.04Å; L246-W250 HydrophobicContact CD2-CH2 3.86Å; L246-W250 HydrophobicContact CD2-CZ2 3.58Å; L246-W250 HydrophobicContact CG-CD2 4.15Å; L246-W250 HydrophobicContact CG-CH2 4.2Å; L246-W250 HydrophobicContact CG-CZ2 3.68Å; L246-W250 WeakPolarHBondContact O-CB 3.29Å; L246-W250 VanDerWaalsContact O-CG 3.29Å; L246-W250 PolarHBondContact O-N 3.02Å; L246-T257 WeakPolarHBondContact CD1-O 3.48Å; L246-L258 HydrophobicContact CD2-CD2 4.07Å; L246-L258 HydrophobicContact CD2-CG 4.08Å
247	E	83.5	Confident	79	Confident	11 Å²	11	61.7 Å²	61.7	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-20	171.9	-75.8	-79.6	149.2	0	0	113.1	Y106 H140 R143 I243 W250 K251	Y106-E247 HydrophobicContact CE1-CG 4.21Å; Y106-E247 WeakPolarHBondContact OH-CG 3.44Å; Y106-E247 PolarHBondContact OH-OE1 3.22Å; H140-E247 IonicContact CE1-OE1 3.76Å; H140-E247 IonicContact CG-OE1 2.95Å; H140-E247 IonicContact ND1-OE1 3.49Å; H140-E247 PolarHBondContact ND1-OE1 3.46Å; H140-E247 IonicContact ND1-OE2 2.82Å; R143-E247 HydrophobicContact CB-CB 4.45Å; R143-E247 HydrophobicContact CB-CG 4.23Å; R143-E247 WeakPolarHBondContact CB-OE2 3.46Å; I243-E247 HydrophobicContact CG2-CG 4.15Å; I243-E247 VanDerWaalsContact O-CB 3.3Å; I243-E247 WeakPolarHBondContact O-CB 3.33Å; I243-E247 WeakPolarHBondContact O-CG 3.38Å; I243-E247 PolarHBondContact O-N 2.84Å; E247-W250 HydrophobicContact CG-CE3 4.45Å; E247-W250 VanDerWaalsContact OE1-CE3 3.26Å; E247-W250 VanDerWaalsContact OE1-CZ3 3.24Å; E247-W250 WeakPolarHBondContact OE1-CZ3 3.25Å; E247-K251 VanDerWaalsContact O-CE 3.29Å; E247-K251 WeakPolarHBondContact O-CE 3.31Å; E247-K251 WeakPolarHBondContact O-CG 3.34Å
248	E	77.6	Confident	78.6	Confident	103 Å²	103	58.8 Å²	58.8	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-76.6	-47.7	170.8	-163.6	112.3	-99.1	0	0	110.7	N244 K245 L246 W250 K251	N244-E248 WeakPolarHBondContact O-CB 3.44Å; N244-E248 PolarHBondContact O-N 2.73Å; N244-E248 VanDerWaalsContact O-N 3.17Å; K245-E248 WeakPolarHBondContact O-CA 3.48Å; K245-E248 VanDerWaalsContact O-CB 3.32Å; K245-E248 WeakPolarHBondContact O-CB 3.16Å; K245-E248 PolarHBondContact O-N 2.89Å; K245-E248 VanDerWaalsContact O-N 3.1Å; L246-E248 PolarHBondContact O-N 3.13Å; E248-W250 PolarHBondContact O-N 3.39Å; E248-K251 WeakPolarHBondContact O-CB 3.27Å; E248-K251 PolarHBondContact O-N 3.39Å; E248-K251 IonicContact OE1-NZ 2.74Å; E248-K251 PolarHBondContact OE1-NZ 3.46Å
249	L	79.7	Confident	78.2	Confident	46 Å²	46	63.3 Å²	63.3	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-42.4	174.6	-72.4	-170.9	0	0	0	112.3	K245 L246 K251 D252 N253 A256 D260 L261	K245-L249 PolarHBondContact O-N 3.15Å; L246-L249 PolarHBondContact O-N 3.03Å; L249-K251 PolarHBondContact O-N 2.65Å; L249-D252 PolarHBondContact O-N 3.05Å; L249-N253 PolarHBondContact O-N 2.78Å; L249-A256 HydrophobicContact CB-CB 3.94Å; L249-A256 HydrophobicContact CD1-CB 4.08Å; L249-D260 HydrophobicContact CD1-CB 3.85Å; L249-L261 HydrophobicContact CD1-CD2 3.64Å; L249-L261 HydrophobicContact CG-CD2 4.19Å
250	W	83.3	Confident	77.7	Confident	31 Å²	31	62.1 Å²	62.1	12%	0.117	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.7	-179.1	-74.7	-11.5	0	0	0	115.1	S105 Y106 K123 F125 L246 E247 E248 N253 A256	S105-W250 WeakPolarHBondContact O-CH2 3.45Å; Y106-W250 AromaticContact CD1-CH2 3.91Å; Y106-W250 HydrophobicContact CD1-CH2 3.91Å; Y106-W250 HydrophobicContact CD1-CZ3 4.17Å; Y106-W250 AromaticContact CE1-CH2 3.89Å; Y106-W250 HydrophobicContact CE1-CH2 3.89Å; Y106-W250 AromaticContact CE1-CZ3 3.66Å; Y106-W250 HydrophobicContact CE1-CZ3 3.66Å; K123-W250 HydrophobicContact CD-CE3 4.5Å; K123-W250 HydrophobicContact CD-CH2 4.19Å; K123-W250 HydrophobicContact CD-CZ2 4.36Å; K123-W250 HydrophobicContact CD-CZ3 4.25Å; K123-W250 VanDerWaalsContact NZ-CD2 3.27Å; F125-W250 HydrophobicContact CE1-CH2 4.23Å; F125-W250 HydrophobicContact CE1-CZ3 4.01Å; F125-W250 HydrophobicContact CZ-CH2 4.36Å; F125-W250 AromaticContact CZ-CZ3 3.96Å; F125-W250 HydrophobicContact CZ-CZ3 3.96Å; L246-W250 HydrophobicContact CD1-CZ2 4.04Å; L246-W250 HydrophobicContact CD2-CH2 3.86Å; L246-W250 HydrophobicContact CD2-CZ2 3.58Å; L246-W250 HydrophobicContact CG-CD2 4.15Å; L246-W250 HydrophobicContact CG-CH2 4.2Å; L246-W250 HydrophobicContact CG-CZ2 3.68Å; L246-W250 WeakPolarHBondContact O-CB 3.29Å; L246-W250 VanDerWaalsContact O-CG 3.29Å; L246-W250 PolarHBondContact O-N 3.02Å; E247-W250 HydrophobicContact CG-CE3 4.45Å; E247-W250 VanDerWaalsContact OE1-CE3 3.26Å; E247-W250 VanDerWaalsContact OE1-CZ3 3.24Å; E247-W250 WeakPolarHBondContact OE1-CZ3 3.25Å; E248-W250 PolarHBondContact O-N 3.39Å; W250-N253 WeakPolarHBondContact CA-O 3.32Å; W250-A256 PolarHBondContact NE1-O 3.07Å
251	K	73.8	Confident	77	Confident	116 Å²	116	61.5 Å²	61.5	50%	0.504	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.9	171.8	-60.8	166	-167.3	169.5	0	112.4	E247 E248 L249	E247-K251 VanDerWaalsContact O-CE 3.29Å; E247-K251 WeakPolarHBondContact O-CE 3.31Å; E247-K251 WeakPolarHBondContact O-CG 3.34Å; E248-K251 WeakPolarHBondContact O-CB 3.27Å; E248-K251 PolarHBondContact O-N 3.39Å; E248-K251 IonicContact OE1-NZ 2.74Å; E248-K251 PolarHBondContact OE1-NZ 3.46Å; L249-K251 PolarHBondContact O-N 2.65Å
252	D	73.3	Confident	76.4	Confident	113 Å²	113	62 Å²	62	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-31.1	-171.1	-58.3	-31.4	0	0	0	112	L249 K300	L249-D252 PolarHBondContact O-N 3.05Å; D252-K300 WeakPolarHBondContact OD1-CE 3.47Å; D252-K300 IonicContact OD1-NZ 2.78Å; D252-K300 PolarHBondContact OD1-NZ 2.77Å; D252-K300 IonicContact OD2-NZ 3.83Å; D252-K300 PolarHBondContact OD2-NZ 3.5Å
253	N	79.1	Confident	75.6	Confident	80 Å²	80	64.2 Å²	64.2	43%	0.428	34%	0.335	S	S	.	.			trans	-131.5	93.4	168.7	177	9.7	0	0	0	110.2	L249 W250 G255 A256	L249-N253 PolarHBondContact O-N 2.78Å; W250-N253 WeakPolarHBondContact CA-O 3.32Å; N253-G255 PolarHBondContact O-N 2.98Å; N253-G255 VanDerWaalsContact O-N 3.09Å; N253-G255 PolarHBondContact OD1-N 3.17Å; N253-A256 HydrophobicContact CB-CB 4.27Å; N253-A256 WeakPolarHBondContact O-CB 3.28Å; N253-A256 PolarHBondContact O-N 3.24Å; N253-A256 VanDerWaalsContact O-N 3.09Å; N253-A256 PolarHBondContact OD1-N 2.88Å
254	P	81.3	Confident	73.8	Confident	87 Å²	87	70.6 Å²	70.6	57%	0.565	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.5	178.2	-26.1	35.7	0	0	0	114.9	K123	K123-P254 PolarHBondContact NZ-O 3.06Å
255	G	76.6	Confident	72.7	Confident	60 Å²	60	70.7 Å²	70.7	62%	0.619	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.5	177.7	0	0	0	0	0	115	N253	N253-G255 PolarHBondContact O-N 2.98Å; N253-G255 VanDerWaalsContact O-N 3.09Å; N253-G255 PolarHBondContact OD1-N 3.17Å
256	A	78.8	Confident	71.5	Confident	5 Å²	5	69.8 Å²	69.8	4%	0.041	40%	0.396	C	S	.	.			trans	-59.9	140.9	-175.3	0	0	0	0	0	112.9	L249 W250 N253 D260	L249-A256 HydrophobicContact CB-CB 3.94Å; L249-A256 HydrophobicContact CD1-CB 4.08Å; W250-A256 PolarHBondContact NE1-O 3.07Å; N253-A256 HydrophobicContact CB-CB 4.27Å; N253-A256 WeakPolarHBondContact O-CB 3.28Å; N253-A256 PolarHBondContact O-N 3.24Å; N253-A256 VanDerWaalsContact O-N 3.09Å; N253-A256 PolarHBondContact OD1-N 2.88Å; A256-D260 WeakPolarHBondContact CA-OD2 3.29Å; A256-D260 HydrophobicContact CB-CB 4.32Å
257	T	78	Confident	70.1	Confident	60 Å²	60	73.4 Å²	73.4	37%	0.368	42%	0.416	S	S	.	.			trans	-100.1	-175.6	174.9	74.8	0	0	0	0	111.3	L246 E259 D260	L246-T257 WeakPolarHBondContact CD1-O 3.48Å; T257-E259 VanDerWaalsContact C-N 3.28Å; T257-E259 WeakPolarHBondContact CB-OE2 3.44Å; T257-E259 PolarHBondContact OG1-N 3.31Å; T257-E259 VanDerWaalsContact OG1-N 3.13Å; T257-E259 PolarHBondContact OG1-OE2 3.34Å; T257-D260 PolarHBondContact N-OD2 2.66Å
258	L	71.3	Confident	68.9	Low	26 Å²	26	81.3 Å²	81.3	14%	0.136	45%	0.453	C	S	.	.	S	Bend	trans	-72	-24.8	171.2	-76.8	153.3	0	0	0	112.1	I238 Q242 L246 D260 L261	I238-L258 HydrophobicContact CD1-CD1 4.09Å; I238-L258 HydrophobicContact CD1-CD2 3.8Å; I238-L258 HydrophobicContact CD1-CG 4.5Å; I238-L258 HydrophobicContact CG1-CD2 4.17Å; Q242-L258 HydrophobicContact CB-CD2 4.04Å; L246-L258 HydrophobicContact CD2-CD2 4.07Å; L246-L258 HydrophobicContact CD2-CG 4.08Å; L258-D260 VanDerWaalsContact C-N 3.29Å; L258-D260 PolarHBondContact O-N 3.29Å; L258-L261 HydrophobicContact CD2-CD1 3.88Å; L258-L261 VanDerWaalsContact O-CB 3.3Å; L258-L261 WeakPolarHBondContact O-CB 3.31Å; L258-L261 WeakPolarHBondContact O-CG 3.31Å; L258-L261 PolarHBondContact O-N 2.97Å
259	E	69.9	Low	68.6	Low	102 Å²	102	82.4 Å²	82.4	48%	0.477	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-72.3	-23.5	177.8	-54.7	86.5	-131.3	0	0	111.9	R236 T257 L261 E262	R236-E259 IonicContact CZ-OE1 3.06Å; R236-E259 IonicContact NH1-OE1 3.47Å; R236-E259 PolarHBondContact NH1-OE1 2.83Å; R236-E259 IonicContact NH2-OE1 3.07Å; T257-E259 VanDerWaalsContact C-N 3.28Å; T257-E259 WeakPolarHBondContact CB-OE2 3.44Å; T257-E259 PolarHBondContact OG1-N 3.31Å; T257-E259 VanDerWaalsContact OG1-N 3.13Å; T257-E259 PolarHBondContact OG1-OE2 3.34Å; E259-L261 PolarHBondContact O-N 2.9Å; E259-E262 PolarHBondContact O-N 3.39Å
260	D	70.3	Confident	68.8	Low	32 Å²	32	81.5 Å²	81.5	17%	0.171	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-65	-17.1	171.9	-74.8	-55.5	0	0	0	113.7	L249 A256 T257 L258 E262 K263	L249-D260 HydrophobicContact CD1-CB 3.85Å; A256-D260 WeakPolarHBondContact CA-OD2 3.29Å; A256-D260 HydrophobicContact CB-CB 4.32Å; T257-D260 PolarHBondContact N-OD2 2.66Å; L258-D260 VanDerWaalsContact C-N 3.29Å; L258-D260 PolarHBondContact O-N 3.29Å; D260-E262 VanDerWaalsContact C-N 3.26Å; D260-E262 PolarHBondContact O-N 2.89Å; D260-K263 WeakPolarHBondContact OD1-CE 3.35Å; D260-K263 IonicContact OD1-NZ 3.88Å; D260-K263 PolarHBondContact OD1-NZ 3.09Å
261	L	65.6	Low	68.7	Low	27 Å²	27	86 Å²	86	14%	0.141	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-74.5	-13.9	179.4	-61.8	-178.5	0	0	0	114.1	Q242 K245 L249 L258 E259	Q242-L261 HydrophobicContact CB-CD1 4.29Å; Q242-L261 HydrophobicContact CG-CD1 4.33Å; K245-L261 HydrophobicContact CB-CD1 4.25Å; K245-L261 HydrophobicContact CB-CD2 3.42Å; K245-L261 VanDerWaalsContact CB-CD2 3.42Å; K245-L261 HydrophobicContact CB-CG 4.48Å; K245-L261 HydrophobicContact CD-CD2 4.25Å; K245-L261 HydrophobicContact CG-CD2 4.49Å; L249-L261 HydrophobicContact CD1-CD2 3.64Å; L249-L261 HydrophobicContact CG-CD2 4.19Å; L258-L261 HydrophobicContact CD2-CD1 3.88Å; L258-L261 VanDerWaalsContact O-CB 3.3Å; L258-L261 WeakPolarHBondContact O-CB 3.31Å; L258-L261 WeakPolarHBondContact O-CG 3.31Å; L258-L261 PolarHBondContact O-N 2.97Å; E259-L261 PolarHBondContact O-N 2.9Å
262	E	62.3	Low	69.6	Low	163 Å²	163	85.6 Å²	85.6	76%	0.762	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-102.5	1.5	-170.8	-57.9	-175.2	168.7	0	0	112.6	E259 D260	E259-E262 PolarHBondContact O-N 3.39Å; D260-E262 VanDerWaalsContact C-N 3.26Å; D260-E262 PolarHBondContact O-N 2.89Å
263	K	63.1	Low	70.6	Confident	120 Å²	120	81.2 Å²	81.2	52%	0.522	45%	0.454	S	S	.	.	S	Bend	trans	-76.6	130.8	-179.2	-68.6	173.5	179.4	171.9	0	111.4	D260 V266	D260-K263 WeakPolarHBondContact OD1-CE 3.35Å; D260-K263 IonicContact OD1-NZ 3.88Å; D260-K263 PolarHBondContact OD1-NZ 3.09Å; K263-V266 WeakPolarHBondContact O-CG2 3.35Å
264	P	43.7	Very low	71.1	Confident	134 Å²	134	80.1 Å²	80.1	87%	0.87	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	146.9	-180	27.3	-34.3	0	0	0	111.9
265	G	54.9	Low	71.6	Confident	75 Å²	75	79.8 Å²	79.8	77%	0.773	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-2	-178	0	0	0	0	0	115.7
266	V	53.3	Low	72.2	Confident	73 Å²	73	83.9 Å²	83.9	44%	0.442	44%	0.438	S	S	.	.	S	Bend	trans	-84.6	-20.1	-179.8	179.6	0	0	0	0	113.2	K263	K263-V266 WeakPolarHBondContact O-CG2 3.35Å
267	D	52.3	Low	72.4	Confident	78 Å²	78	84 Å²	84	42%	0.417	44%	0.437	S	S	.	.			trans	-133.6	81.3	179	-86	-51.8	0	0	0	112.2	K245 K655	K245-D267 IonicContact NZ-OD2 3.38Å; K245-D267 PolarHBondContact NZ-OD2 3.44Å; D267-K655 IonicContact OD1-NZ 3.11Å; D267-K655 PolarHBondContact OD1-NZ 3Å
268	E	58.7	Low	72.3	Confident	176 Å²	176	88.4 Å²	88.4	82%	0.822	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-80.8	121	147.3	-70.9	-172.7	162.4	0	0	107.9
269	E	72.3	Confident	72.3	Confident	126 Å²	126	90 Å²	90	59%	0.589	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-87.3	137.1	169.4	-70	-143.2	129.6	0	0	110.1
270	P	82.8	Confident	72.7	Confident	27 Å²	27	85.1 Å²	85.1	18%	0.175	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-72.3	146.9	-176.1	30.4	-36.2	0	0	0	112.1	H272 L290 L293 A659	P270-H272 PolarHBondContact O-N 2.79Å; P270-L290 HydrophobicContact CB-CD2 3.88Å; P270-L290 HydrophobicContact CG-CD2 3.99Å; P270-L293 HydrophobicContact CB-CD1 3.83Å; P270-L293 HydrophobicContact CG-CD1 3.73Å; P270-A659 HydrophobicContact CG-CB 3.97Å
271	Q	82.2	Confident	72.7	Confident	126 Å²	126	89.1 Å²	89.1	59%	0.589	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-54.5	133.1	176.5	-173.2	63.5	14.8	0	0	111.6	I286	Q271-I286 HydrophobicContact CB-CG1 4.39Å; Q271-I286 HydrophobicContact CG-CD1 4Å; Q271-I286 HydrophobicContact CG-CG1 3.89Å
272	H	91.5	Very high	73.3	Confident	107 Å²	107	90 Å²	90	50%	0.495	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-69.4	147.2	178.5	-99.5	-101.8	0	0	0	112.8	P270 K658 A659	P270-H272 PolarHBondContact O-N 2.79Å; H272-K658 PolarHBondContact CE1-O 2.88Å; H272-A659 CarbonylContact C-O 3.23Å; H272-A659 WeakPolarHBondContact CA-O 3.07Å; H272-A659 PolarHBondContact ND1-O 3.37Å
273	V	94.4	Very high	74.3	Confident	21 Å²	21	82.2 Å²	82.2	13%	0.127	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-57.7	133.8	168.1	170.5	0	0	0	0	109.9	F287 L290 A659	V273-F287 HydrophobicContact CG1-CE1 4.48Å; V273-F287 HydrophobicContact CG1-CZ 3.87Å; V273-F287 HydrophobicContact CG2-CD1 4.37Å; V273-F287 HydrophobicContact CG2-CE1 3.68Å; V273-F287 HydrophobicContact CG2-CZ 3.85Å; V273-L290 HydrophobicContact CG2-CD1 3.72Å; V273-A659 WeakPolarHBondContact CG2-O 3.5Å; V273-A659 PolarHBondContact N-O 3.38Å
274	L	90.3	Very high	75.3	Confident	57 Å²	57	78.6 Å²	78.6	30%	0.298	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-101.6	157	-179.2	-56.6	177.8	0	0	0	110.4	R276 Y277 I286 R668	L274-R276 WeakPolarHBondContact CB-O 3.44Å; L274-Y277 HydrophobicContact CB-CE1 4.17Å; L274-Y277 HydrophobicContact CB-CE2 4.23Å; L274-Y277 HydrophobicContact CD1-CD1 4.48Å; L274-Y277 HydrophobicContact CG-CE1 4.49Å; L274-Y277 PolarHBondContact N-OH 2.64Å; L274-Y277 WeakPolarHBondContact O-CE2 3.35Å; L274-Y277 PolarHBondContact O-OH 2.74Å; L274-I286 HydrophobicContact CD1-CD1 3.68Å; L274-I286 HydrophobicContact CG-CD1 3.89Å; L274-R668 WeakPolarHBondContact O-CD 3.32Å
275	L	91.9	Very high	77	Confident	81 Å²	81	77.5 Å²	77.5	42%	0.424	39%	0.392	S	S	.	.	S	Bend	trans	-74.3	-47.3	170.1	-65.6	179.8	0	0	0	111	R668 V671 L672	L275-R668 HydrophobicContact CD2-CG 4.21Å; L275-R668 PolarHBondContact O-NH1 3.06Å; L275-V671 HydrophobicContact CD1-CG1 3.85Å; L275-V671 HydrophobicContact CD2-CB 4.11Å; L275-V671 HydrophobicContact CD2-CG1 3.61Å; L275-V671 HydrophobicContact CG-CG1 4.41Å; L275-L672 HydrophobicContact CB-CD2 4.14Å; L275-L672 WeakPolarHBondContact O-CD1 3.39Å
276	R	88.8	Confident	78.6	Confident	146 Å²	146	74.6 Å²	74.6	55%	0.551	36%	0.358	S	S	*	.	S	Bend	trans	-111.1	149.4	176.5	-62.1	-170.4	172.6	111.4	-17	110.3	L274 L427 G428 E430 L672	L274-R276 WeakPolarHBondContact CB-O 3.44Å; R276-L427 CarbonylContact C-O 3.56Å; R276-L427 VanDerWaalsContact CA-O 3.3Å; R276-L427 WeakPolarHBondContact CA-O 3.26Å; R276-G428 WeakPolarHBondContact CD-O 3.31Å; R276-G428 WeakPolarHBondContact CG-O 3.37Å; R276-G428 PolarHBondContact NE-O 3.29Å; R276-G428 VanDerWaalsContact NE-O 3.15Å; R276-E430 IonicContact NH2-OE1 3.33Å; R276-E430 PolarHBondContact NH2-OE1 2.81Å; R276-E430 VanDerWaalsContact NH2-OE1 3.1Å; R276-L672 HydrophobicContact CG-CD2 3.99Å
277	Y	83.4	Confident	80.5	Confident	6 Å²	6	71.1 Å²	71.1	2%	0.024	34%	0.337	C	S	.	.			trans	-129.6	149	177.5	-65.6	-95.8	0	0	0	108.6	L274 Q282 Y283 I286 F287 L427 H429	L274-Y277 HydrophobicContact CB-CE1 4.17Å; L274-Y277 HydrophobicContact CB-CE2 4.23Å; L274-Y277 HydrophobicContact CD1-CD1 4.48Å; L274-Y277 HydrophobicContact CG-CE1 4.49Å; L274-Y277 PolarHBondContact N-OH 2.64Å; L274-Y277 WeakPolarHBondContact O-CE2 3.35Å; L274-Y277 PolarHBondContact O-OH 2.74Å; Y277-Q282 VanDerWaalsContact CA-OE1 3.28Å; Y277-Q282 HydrophobicContact CD1-CG 4.46Å; Y277-Y283 HydrophobicContact CD1-CD2 4.09Å; Y277-Y283 HydrophobicContact CD1-CG 4.46Å; Y277-Y283 AromaticContact CD2-CD2 3.84Å; Y277-Y283 HydrophobicContact CD2-CD2 3.84Å; Y277-Y283 AromaticContact CE1-CD2 3.98Å; Y277-Y283 HydrophobicContact CE1-CD2 3.98Å; Y277-Y283 HydrophobicContact CE1-CG 4.49Å; Y277-Y283 AromaticContact CE2-CD2 3.75Å; Y277-Y283 HydrophobicContact CE2-CD2 3.75Å; Y277-Y283 HydrophobicContact CE2-CE2 4.22Å; Y277-Y283 HydrophobicContact CG-CD2 4.01Å; Y277-Y283 AromaticContact CZ-CD2 3.82Å; Y277-I286 HydrophobicContact CD1-CD1 4.39Å; Y277-I286 HydrophobicContact CE1-CB 4.3Å; Y277-I286 HydrophobicContact CE1-CD1 3.89Å; Y277-F287 AromaticContact CZ-CE2 4Å; Y277-F287 VanDerWaalsContact OH-CE2 3.23Å; Y277-F287 WeakPolarHBondContact OH-CE2 3.44Å; Y277-L427 PolarHBondContact N-O 3.11Å; Y277-H429 PolarHBondContact O-CD2 2.83Å; Y277-H429 PolarHBondContact O-NE2 3.02Å
278	E	75.1	Confident	82.4	Confident	153 Å²	153	67.8 Å²	67.8	72%	0.715	32%	0.321	S	S	*	.	S	Bend	trans	-72.1	-45.1	176.7	-72.6	161.3	-132.6	0	0	111.8	Q282 H429	E278-Q282 VanDerWaalsContact CD-NE2 3.26Å; E278-Q282 PolarHBondContact OE1-NE2 2.72Å; E278-H429 PolarHBondContact O-CE1 2.91Å; E278-H429 PolarHBondContact O-NE2 3.2Å
279	D	71.7	Confident	83.9	Confident	59 Å²	59	62.5 Å²	62.5	32%	0.316	30%	0.302	S	S	.	.	S	Bend	trans	-150.2	178.1	178.2	71.1	15.2	0	0	0	111.8	Y281 Q282 Y283	D279-Y281 VanDerWaalsContact C-N 3.29Å; D279-Y281 PolarHBondContact O-N 2.83Å; D279-Y281 WeakPolarHBondContact OD1-CA 3.34Å; D279-Y281 WeakPolarHBondContact OD1-CB 3.4Å; D279-Y281 PolarHBondContact OD1-N 2.94Å; D279-Q282 PolarHBondContact OD1-N 2.84Å; D279-Y283 PolarHBondContact O-N 2.84Å
280	A	77.1	Confident	84.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-73.5	-14.3	177	0	0	0	0	0	114.3	Q284 F411 A412 Y423	A280-Q284 WeakPolarHBondContact O-CB 3.45Å; A280-Q284 PolarHBondContact O-N 3.26Å; A280-F411 HydrophobicContact CB-CD1 3.57Å; A280-F411 HydrophobicContact CB-CE1 3.61Å; A280-F411 HydrophobicContact CB-CG 4.18Å; A280-F411 HydrophobicContact CB-CZ 4.24Å; A280-F411 WeakPolarHBondContact CB-O 2.98Å; A280-A412 HydrophobicContact CB-CB 4.25Å; A280-Y423 HydrophobicContact CB-CE2 3.6Å; A280-Y423 PolarHBondContact N-OH 3.24Å
281	Y	70.9	Confident	85.5	Confident	117 Å²	117	55.3 Å²	55.3	46%	0.459	27%	0.266	S	S	.	.	H	α-helix	trans	-75.5	-44.4	172.3	-70.3	-82.7	0	0	0	111.1	D279 Y283 Q284 N285 A412 V413	D279-Y281 VanDerWaalsContact C-N 3.29Å; D279-Y281 PolarHBondContact O-N 2.83Å; D279-Y281 WeakPolarHBondContact OD1-CA 3.34Å; D279-Y281 WeakPolarHBondContact OD1-CB 3.4Å; D279-Y281 PolarHBondContact OD1-N 2.94Å; Y281-Y283 VanDerWaalsContact C-N 3.28Å; Y281-Y283 PolarHBondContact O-N 3.38Å; Y281-Q284 PolarHBondContact O-N 3.29Å; Y281-N285 VanDerWaalsContact O-CB 3.3Å; Y281-N285 WeakPolarHBondContact O-CB 3.38Å; Y281-N285 PolarHBondContact O-N 2.82Å; Y281-N285 PolarHBondContact O-ND2 2.91Å; Y281-A412 HydrophobicContact CD1-CB 3.99Å; Y281-A412 HydrophobicContact CE1-CB 4.12Å; Y281-A412 VanDerWaalsContact CE2-O 3.32Å; Y281-A412 WeakPolarHBondContact CE2-O 3.46Å; Y281-A412 HydrophobicContact CG-CB 4.27Å; Y281-A412 VanDerWaalsContact CZ-O 3.28Å; Y281-A412 PolarHBondContact OH-O 3.03Å; Y281-V413 HydrophobicContact CE1-CG2 4.22Å
282	Q	78.3	Confident	86	Confident	45 Å²	45	55.2 Å²	55.2	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-41.7	171.7	-169.8	-174.3	70.7	0	0	110.6	Y277 E278 D279 N285 I286	Y277-Q282 VanDerWaalsContact CA-OE1 3.28Å; Y277-Q282 HydrophobicContact CD1-CG 4.46Å; E278-Q282 VanDerWaalsContact CD-NE2 3.26Å; E278-Q282 PolarHBondContact OE1-NE2 2.72Å; D279-Q282 PolarHBondContact OD1-N 2.84Å; Q282-N285 PolarHBondContact O-N 3.34Å; Q282-I286 HydrophobicContact CG-CD1 4.35Å; Q282-I286 WeakPolarHBondContact O-CG1 3.46Å; Q282-I286 PolarHBondContact O-N 3.28Å; Q282-I286 VanDerWaalsContact O-N 3.07Å
283	Y	83.1	Confident	85.9	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-48	172.6	-177.1	-90.6	0	0	0	112.7	Y277 D279 Y281 I286 F287 L408 F411 L427 E624 M628	Y277-Y283 HydrophobicContact CD1-CD2 4.09Å; Y277-Y283 HydrophobicContact CD1-CG 4.46Å; Y277-Y283 AromaticContact CD2-CD2 3.84Å; Y277-Y283 HydrophobicContact CD2-CD2 3.84Å; Y277-Y283 AromaticContact CE1-CD2 3.98Å; Y277-Y283 HydrophobicContact CE1-CD2 3.98Å; Y277-Y283 HydrophobicContact CE1-CG 4.49Å; Y277-Y283 AromaticContact CE2-CD2 3.75Å; Y277-Y283 HydrophobicContact CE2-CD2 3.75Å; Y277-Y283 HydrophobicContact CE2-CE2 4.22Å; Y277-Y283 HydrophobicContact CG-CD2 4.01Å; Y277-Y283 AromaticContact CZ-CD2 3.82Å; D279-Y283 PolarHBondContact O-N 2.84Å; Y281-Y283 VanDerWaalsContact C-N 3.28Å; Y281-Y283 PolarHBondContact O-N 3.38Å; Y283-I286 PolarHBondContact O-N 3.17Å; Y283-F287 HydrophobicContact CD1-CD2 4.22Å; Y283-F287 AromaticContact CD2-CD2 3.96Å; Y283-F287 HydrophobicContact CD2-CD2 3.96Å; Y283-F287 AromaticContact CD2-CE2 3.93Å; Y283-F287 HydrophobicContact CD2-CE2 3.93Å; Y283-F287 HydrophobicContact CE1-CD2 4.01Å; Y283-F287 HydrophobicContact CE1-CE2 4.49Å; Y283-F287 AromaticContact CE2-CD2 3.73Å; Y283-F287 HydrophobicContact CE2-CD2 3.73Å; Y283-F287 AromaticContact CE2-CE2 3.45Å; Y283-F287 HydrophobicContact CE2-CE2 3.45Å; Y283-F287 VanDerWaalsContact CE2-CE2 3.45Å; Y283-F287 HydrophobicContact CG-CD2 4.2Å; Y283-F287 AromaticContact CZ-CD2 3.76Å; Y283-F287 AromaticContact CZ-CE2 3.78Å; Y283-F287 PolarHBondContact O-N 3.1Å; Y283-L408 HydrophobicContact CD1-CD2 4.05Å; Y283-L408 HydrophobicContact CE1-CD2 3.57Å; Y283-F411 AromaticContact CD1-CD1 3.59Å; Y283-F411 HydrophobicContact CD1-CD1 3.59Å; Y283-F411 AromaticContact CD1-CE1 3.67Å; Y283-F411 HydrophobicContact CD1-CE1 3.67Å; Y283-F411 HydrophobicContact CD2-CE1 4.49Å; Y283-F411 AromaticContact CE1-CD1 3.79Å; Y283-F411 HydrophobicContact CE1-CD1 3.79Å; Y283-F411 AromaticContact CE1-CE1 3.89Å; Y283-F411 HydrophobicContact CE1-CE1 3.89Å; Y283-F411 HydrophobicContact CG-CD1 4.33Å; Y283-F411 AromaticContact CG-CE1 3.99Å; Y283-F411 HydrophobicContact CG-CE1 3.99Å; Y283-L427 HydrophobicContact CD2-CD2 4.37Å; Y283-L427 HydrophobicContact CG-CD2 4.41Å; Y283-E624 VanDerWaalsContact CE2-OE1 3.23Å; Y283-E624 WeakPolarHBondContact CE2-OE1 3.23Å; Y283-E624 WeakPolarHBondContact OH-CG 3.44Å; Y283-E624 PolarHBondContact OH-OE1 3.35Å; Y283-M628 HydrophobicContact CE1-CG 4.45Å; Y283-M628 WeakPolarHBondContact OH-CG 3.23Å
284	Q	85.6	Confident	85.8	Confident	44 Å²	44	52.8 Å²	52.8	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-42.1	174	179.3	-178.6	-1.1	0	0	111.9	A280 Y281 I286 G288 L408 A412	A280-Q284 WeakPolarHBondContact O-CB 3.45Å; A280-Q284 PolarHBondContact O-N 3.26Å; Y281-Q284 PolarHBondContact O-N 3.29Å; Q284-I286 VanDerWaalsContact C-N 3.26Å; Q284-I286 PolarHBondContact O-N 2.81Å; Q284-G288 WeakPolarHBondContact O-CA 3.34Å; Q284-G288 PolarHBondContact O-N 3.22Å; Q284-L408 HydrophobicContact CB-CB 4.47Å; Q284-L408 HydrophobicContact CG-CB 4.12Å; Q284-A412 HydrophobicContact CB-CB 4.3Å; Q284-A412 VanDerWaalsContact OE1-CB 3.27Å
285	N	79	Confident	85.8	Confident	111 Å²	111	50.5 Å²	50.5	59%	0.594	24%	0.242	S	C	*	.	H	α-helix	trans	-68	-24.2	-177.2	-71.3	-20.8	0	0	0	112.9	Y281 Q282 P289	Y281-N285 VanDerWaalsContact O-CB 3.3Å; Y281-N285 WeakPolarHBondContact O-CB 3.38Å; Y281-N285 PolarHBondContact O-N 2.82Å; Y281-N285 PolarHBondContact O-ND2 2.91Å; Q282-N285 PolarHBondContact O-N 3.34Å; N285-P289 WeakPolarHBondContact O-CD 3.38Å; N285-P289 VanDerWaalsContact O-CG 3.25Å; N285-P289 WeakPolarHBondContact O-CG 3.46Å
286	I	87.2	Confident	85.6	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-88.7	-50.8	174.2	-68.2	173	0	0	0	110.9	Q271 L274 Y277 Q282 Y283 Q284 L290	Q271-I286 HydrophobicContact CB-CG1 4.39Å; Q271-I286 HydrophobicContact CG-CD1 4Å; Q271-I286 HydrophobicContact CG-CG1 3.89Å; L274-I286 HydrophobicContact CD1-CD1 3.68Å; L274-I286 HydrophobicContact CG-CD1 3.89Å; Y277-I286 HydrophobicContact CD1-CD1 4.39Å; Y277-I286 HydrophobicContact CE1-CB 4.3Å; Y277-I286 HydrophobicContact CE1-CD1 3.89Å; Q282-I286 HydrophobicContact CG-CD1 4.35Å; Q282-I286 WeakPolarHBondContact O-CG1 3.46Å; Q282-I286 PolarHBondContact O-N 3.28Å; Q282-I286 VanDerWaalsContact O-N 3.07Å; Y283-I286 PolarHBondContact O-N 3.17Å; Q284-I286 VanDerWaalsContact C-N 3.26Å; Q284-I286 PolarHBondContact O-N 2.81Å; I286-L290 HydrophobicContact CG2-CD1 4.47Å; I286-L290 WeakPolarHBondContact O-CG 3.42Å
287	F	94	Very high	85.5	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-73.6	-29.5	-177.9	-81.8	-68.6	0	0	0	114.1	V273 Y277 Y283 L290 V291 L408 E624 P625 L661	V273-F287 HydrophobicContact CG1-CE1 4.48Å; V273-F287 HydrophobicContact CG1-CZ 3.87Å; V273-F287 HydrophobicContact CG2-CD1 4.37Å; V273-F287 HydrophobicContact CG2-CE1 3.68Å; V273-F287 HydrophobicContact CG2-CZ 3.85Å; Y277-F287 AromaticContact CZ-CE2 4Å; Y277-F287 VanDerWaalsContact OH-CE2 3.23Å; Y277-F287 WeakPolarHBondContact OH-CE2 3.44Å; Y283-F287 HydrophobicContact CD1-CD2 4.22Å; Y283-F287 AromaticContact CD2-CD2 3.96Å; Y283-F287 HydrophobicContact CD2-CD2 3.96Å; Y283-F287 AromaticContact CD2-CE2 3.93Å; Y283-F287 HydrophobicContact CD2-CE2 3.93Å; Y283-F287 HydrophobicContact CE1-CD2 4.01Å; Y283-F287 HydrophobicContact CE1-CE2 4.49Å; Y283-F287 AromaticContact CE2-CD2 3.73Å; Y283-F287 HydrophobicContact CE2-CD2 3.73Å; Y283-F287 AromaticContact CE2-CE2 3.45Å; Y283-F287 HydrophobicContact CE2-CE2 3.45Å; Y283-F287 VanDerWaalsContact CE2-CE2 3.45Å; Y283-F287 HydrophobicContact CG-CD2 4.2Å; Y283-F287 AromaticContact CZ-CD2 3.76Å; Y283-F287 AromaticContact CZ-CE2 3.78Å; Y283-F287 PolarHBondContact O-N 3.1Å; F287-L290 HydrophobicContact CD1-CD1 4.46Å; F287-L290 PolarHBondContact O-N 2.69Å; F287-V291 WeakPolarHBondContact O-CG2 3.4Å; F287-V291 PolarHBondContact O-N 3.48Å; F287-L408 HydrophobicContact CB-CD1 3.73Å; F287-L408 HydrophobicContact CB-CD2 3.93Å; F287-E624 HydrophobicContact CE1-CB 4.1Å; F287-E624 HydrophobicContact CE1-CG 4.33Å; F287-E624 HydrophobicContact CE2-CG 4.14Å; F287-E624 HydrophobicContact CZ-CB 3.97Å; F287-E624 HydrophobicContact CZ-CG 3.81Å; F287-P625 HydrophobicContact CB-CG 3.98Å; F287-P625 HydrophobicContact CD1-CG 3.52Å; F287-P625 HydrophobicContact CE1-CG 4.22Å; F287-P625 HydrophobicContact CG-CG 3.92Å; F287-L661 HydrophobicContact CD1-CD1 4.31Å
288	G	91.2	Very high	85.5	Confident	8 Å²	8	48.4 Å²	48.4	8%	0.082	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-52.6	-178.9	0	0	0	0	0	113.4	Q284 L290 V291 K292 Q405	Q284-G288 WeakPolarHBondContact O-CA 3.34Å; Q284-G288 PolarHBondContact O-N 3.22Å; G288-L290 VanDerWaalsContact C-N 3.32Å; G288-L290 PolarHBondContact O-N 2.72Å; G288-V291 PolarHBondContact O-N 2.98Å; G288-K292 PolarHBondContact O-N 3.27Å; G288-Q405 PolarHBondContact O-NE2 3.46Å
289	P	90.8	Very high	85.8	Confident	64 Å²	64	44.8 Å²	44.8	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-58.6	-38.7	172.7	-27.9	37.1	0	0	0	113.4	N285 K292 L293	N285-P289 WeakPolarHBondContact O-CD 3.38Å; N285-P289 VanDerWaalsContact O-CG 3.25Å; N285-P289 WeakPolarHBondContact O-CG 3.46Å; P289-K292 PolarHBondContact O-N 3.3Å; P289-L293 WeakPolarHBondContact O-CG 3.29Å; P289-L293 PolarHBondContact O-N 2.68Å
290	L	93.9	Very high	86.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-44.1	178.1	-61.8	177.2	0	0	0	112.1	P270 V273 I286 F287 G288 K292 L293 E294 A656 A659 L661	P270-L290 HydrophobicContact CB-CD2 3.88Å; P270-L290 HydrophobicContact CG-CD2 3.99Å; V273-L290 HydrophobicContact CG2-CD1 3.72Å; I286-L290 HydrophobicContact CG2-CD1 4.47Å; I286-L290 WeakPolarHBondContact O-CG 3.42Å; F287-L290 HydrophobicContact CD1-CD1 4.46Å; F287-L290 PolarHBondContact O-N 2.69Å; G288-L290 VanDerWaalsContact C-N 3.32Å; G288-L290 PolarHBondContact O-N 2.72Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 PolarHBondContact O-N 2.73Å; L290-L293 PolarHBondContact O-N 2.66Å; L290-E294 PolarHBondContact O-N 2.81Å; L290-E294 VanDerWaalsContact O-N 3.08Å; L290-A656 HydrophobicContact CD2-CB 4.38Å; L290-A659 HydrophobicContact CD1-CB 4.46Å; L290-A659 HydrophobicContact CD2-CB 3.55Å; L290-L661 HydrophobicContact CB-CB 4.37Å; L290-L661 HydrophobicContact CB-CD1 4.37Å; L290-L661 HydrophobicContact CB-CD2 4.29Å
291	V	95.7	Very high	86.1	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-35.6	173.9	171.6	0	0	0	0	111.2	F287 G288 A295 F401 M404 Q405 L408 P625 L661	F287-V291 WeakPolarHBondContact O-CG2 3.4Å; F287-V291 PolarHBondContact O-N 3.48Å; G288-V291 PolarHBondContact O-N 2.98Å; V291-A295 WeakPolarHBondContact O-CB 3.39Å; V291-A295 PolarHBondContact O-N 3.49Å; V291-F401 HydrophobicContact CG1-CB 4.31Å; V291-F401 HydrophobicContact CG1-CD1 4.2Å; V291-M404 HydrophobicContact CG1-CB 4.06Å; V291-M404 HydrophobicContact CG1-CE 4.23Å; V291-Q405 HydrophobicContact CG1-CG 3.96Å; V291-L408 HydrophobicContact CG2-CD1 4.34Å; V291-P625 HydrophobicContact CG2-CB 3.64Å; V291-P625 HydrophobicContact CG2-CG 3.61Å; V291-L661 HydrophobicContact CG2-CD1 4.43Å
292	K	91.3	Very high	86.3	Confident	123 Å²	123	43.4 Å²	43.4	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-67.2	-45.7	174.1	-174.1	-173.4	172.4	-167	0	111.8	G288 P289 L290 E294 A295 D296	G288-K292 PolarHBondContact O-N 3.27Å; P289-K292 PolarHBondContact O-N 3.3Å; L290-K292 VanDerWaalsContact C-N 3.28Å; L290-K292 PolarHBondContact O-N 2.73Å; K292-E294 VanDerWaalsContact C-N 3.27Å; K292-E294 PolarHBondContact O-N 2.82Å; K292-A295 WeakPolarHBondContact O-CB 3.39Å; K292-A295 PolarHBondContact O-N 3.23Å; K292-A295 VanDerWaalsContact O-N 3.09Å; K292-D296 WeakPolarHBondContact CE-OD2 3.48Å; K292-D296 WeakPolarHBondContact CG-OD2 3.44Å; K292-D296 PolarHBondContact O-N 3.11Å
293	L	90.3	Very high	86.1	Confident	60 Å²	60	46.2 Å²	46.2	31%	0.314	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-34.7	177.8	-76.5	172.2	0	0	0	112.7	P270 P289 L290 Y297 A656	P270-L293 HydrophobicContact CB-CD1 3.83Å; P270-L293 HydrophobicContact CG-CD1 3.73Å; P289-L293 WeakPolarHBondContact O-CG 3.29Å; P289-L293 PolarHBondContact O-N 2.68Å; L290-L293 PolarHBondContact O-N 2.66Å; L293-Y297 VanDerWaalsContact O-CB 3.23Å; L293-Y297 WeakPolarHBondContact O-CB 3.14Å; L293-Y297 PolarHBondContact O-N 2.95Å; L293-A656 HydrophobicContact CB-CB 4.18Å
294	E	92.4	Very high	85.5	Confident	18 Å²	18	50.1 Å²	50.1	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-72.6	-41.9	171.6	-174.1	66.6	-175.5	0	0	111.9	L290 K292 Y297 D298 F401 V651 M652 C653 L661	L290-E294 PolarHBondContact O-N 2.81Å; L290-E294 VanDerWaalsContact O-N 3.08Å; K292-E294 VanDerWaalsContact C-N 3.27Å; K292-E294 PolarHBondContact O-N 2.82Å; E294-Y297 PolarHBondContact O-N 2.84Å; E294-D298 WeakPolarHBondContact O-CB 3.26Å; E294-D298 PolarHBondContact O-N 3.17Å; E294-F401 HydrophobicContact CB-CE1 4.16Å; E294-F401 HydrophobicContact CG-CE1 3.77Å; E294-F401 HydrophobicContact CG-CZ 4.31Å; E294-V651 VanDerWaalsContact OE2-CG1 3.27Å; E294-V651 WeakPolarHBondContact OE2-CG1 3.44Å; E294-M652 WeakPolarHBondContact OE1-CB 3.3Å; E294-M652 PolarHBondContact OE1-N 3.11Å; E294-M652 PolarHBondContact OE2-N 3.36Å; E294-C653 WeakPolarHBondContact OE2-CA 3.08Å; E294-C653 WeakPolarHBondContact OE2-CB 3.5Å; E294-C653 PolarHBondContact OE2-N 2.89Å; E294-L661 HydrophobicContact CB-CD2 3.96Å
295	A	91.1	Very high	84.7	Confident	9 Å²	9	48.4 Å²	48.4	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-47.4	179.6	0	0	0	0	0	112.9	V291 K292 Y297 K299 W396 F401	V291-A295 WeakPolarHBondContact O-CB 3.39Å; V291-A295 PolarHBondContact O-N 3.49Å; K292-A295 WeakPolarHBondContact O-CB 3.39Å; K292-A295 PolarHBondContact O-N 3.23Å; K292-A295 VanDerWaalsContact O-N 3.09Å; A295-Y297 VanDerWaalsContact C-N 3.31Å; A295-Y297 PolarHBondContact O-N 2.93Å; A295-K299 VanDerWaalsContact O-CB 3.27Å; A295-K299 WeakPolarHBondContact O-CB 3.32Å; A295-K299 PolarHBondContact O-N 3.07Å; A295-W396 HydrophobicContact CB-CZ2 4.3Å; A295-W396 WeakPolarHBondContact O-CZ2 3.23Å; A295-F401 HydrophobicContact CB-CB 3.75Å; A295-F401 HydrophobicContact CB-CD1 3.62Å; A295-F401 HydrophobicContact CB-CD2 3.79Å; A295-F401 HydrophobicContact CB-CE1 4.14Å; A295-F401 HydrophobicContact CB-CE2 4.28Å; A295-F401 HydrophobicContact CB-CG 3.42Å; A295-F401 VanDerWaalsContact CB-CG 3.42Å; A295-F401 HydrophobicContact CB-CZ 4.44Å
296	D	86.6	Confident	84.7	Confident	80 Å²	80	45.2 Å²	45.2	43%	0.428	23%	0.23	S	C	.	.	H	α-helix	trans	-67.5	-33.5	178.8	-70.5	-26.5	0	0	0	111.1	K292 K300	K292-D296 WeakPolarHBondContact CE-OD2 3.48Å; K292-D296 WeakPolarHBondContact CG-OD2 3.44Å; K292-D296 PolarHBondContact O-N 3.11Å; D296-K300 WeakPolarHBondContact O-CB 3.45Å; D296-K300 PolarHBondContact O-N 2.91Å
297	Y	86.4	Confident	84.4	Confident	87 Å²	87	46.6 Å²	46.6	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-71	-47.9	175.1	-167.8	-87.7	0	0	0	112.5	L293 E294 A295 K299 K300 L301 M652 C653	L293-Y297 VanDerWaalsContact O-CB 3.23Å; L293-Y297 WeakPolarHBondContact O-CB 3.14Å; L293-Y297 PolarHBondContact O-N 2.95Å; E294-Y297 PolarHBondContact O-N 2.84Å; A295-Y297 VanDerWaalsContact C-N 3.31Å; A295-Y297 PolarHBondContact O-N 2.93Å; Y297-K299 VanDerWaalsContact C-N 3.33Å; Y297-K299 PolarHBondContact O-N 2.91Å; Y297-K300 PolarHBondContact O-N 3.28Å; Y297-L301 VanDerWaalsContact O-CB 3.25Å; Y297-L301 WeakPolarHBondContact O-CB 3.46Å; Y297-L301 PolarHBondContact O-N 2.66Å; Y297-M652 HydrophobicContact CD1-CB 3.77Å; Y297-M652 HydrophobicContact CE1-CB 3.84Å; Y297-C653 HydrophobicContact CD1-CB 4.34Å; Y297-C653 HydrophobicContact CD2-CB 4.31Å; Y297-C653 HydrophobicContact CG-CB 3.9Å
298	D	83.1	Confident	83.8	Confident	22 Å²	22	50.2 Å²	50.2	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-45	173.9	177.3	59.2	0	0	0	110.3	E294 K300 L301 K302 W396 F401	E294-D298 WeakPolarHBondContact O-CB 3.26Å; E294-D298 PolarHBondContact O-N 3.17Å; D298-K300 PolarHBondContact O-N 3.35Å; D298-L301 CarbonylContact O-C 3.53Å; D298-L301 WeakPolarHBondContact O-CB 3.33Å; D298-L301 PolarHBondContact O-N 3.36Å; D298-L301 VanDerWaalsContact O-N 3.15Å; D298-K302 WeakPolarHBondContact O-CG 3.45Å; D298-K302 PolarHBondContact O-N 2.87Å; D298-K302 WeakPolarHBondContact OD1-CE 3.47Å; D298-K302 VanDerWaalsContact OD2-CE 3.3Å; D298-K302 WeakPolarHBondContact OD2-CE 3.37Å; D298-W396 PolarHBondContact OD2-NE1 2.84Å; D298-F401 HydrophobicContact CB-CE2 4.29Å; D298-F401 HydrophobicContact CB-CZ 4.04Å
299	K	83.1	Confident	83.5	Confident	76 Å²	76	56 Å²	56	33%	0.33	28%	0.284	S	S	.	.	H	α-helix	trans	-54.5	-55.4	175	-174.7	-175.9	172.8	-166.9	0	111.9	A295 Y297 L301 K302 E303 W396	A295-K299 VanDerWaalsContact O-CB 3.27Å; A295-K299 WeakPolarHBondContact O-CB 3.32Å; A295-K299 PolarHBondContact O-N 3.07Å; Y297-K299 VanDerWaalsContact C-N 3.33Å; Y297-K299 PolarHBondContact O-N 2.91Å; K299-L301 PolarHBondContact O-N 3.16Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-K302 VanDerWaalsContact O-N 3.11Å; K299-E303 WeakPolarHBondContact CE-OE1 3.15Å; K299-E303 WeakPolarHBondContact CE-OE2 2.99Å; K299-E303 HydrophobicContact CG-CG 4.35Å; K299-E303 IonicContact NZ-OE1 2.73Å; K299-E303 WeakPolarHBondContact O-CB 3.42Å; K299-E303 WeakPolarHBondContact O-CG 3.37Å; K299-E303 PolarHBondContact O-N 3.29Å; K299-W396 HydrophobicContact CB-CD2 3.72Å; K299-W396 HydrophobicContact CB-CE3 4.16Å; K299-W396 HydrophobicContact CB-CG 4.06Å; K299-W396 HydrophobicContact CB-CH2 4.33Å; K299-W396 HydrophobicContact CB-CZ2 3.95Å; K299-W396 HydrophobicContact CB-CZ3 4.44Å; K299-W396 HydrophobicContact CD-CD2 4.31Å; K299-W396 HydrophobicContact CD-CE3 3.89Å; K299-W396 HydrophobicContact CD-CH2 4.35Å; K299-W396 HydrophobicContact CD-CZ3 3.9Å; K299-W396 HydrophobicContact CG-CD2 3.71Å; K299-W396 HydrophobicContact CG-CE3 3.78Å; K299-W396 HydrophobicContact CG-CG 4.04Å; K299-W396 HydrophobicContact CG-CZ3 4.22Å
300	K	79.1	Confident	83.4	Confident	95 Å²	95	53.2 Å²	53.2	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-34.2	178.9	-166.4	171.7	-171.6	172.9	0	111.6	D252 D296 Y297 D298 S304	D252-K300 WeakPolarHBondContact OD1-CE 3.47Å; D252-K300 IonicContact OD1-NZ 2.78Å; D252-K300 PolarHBondContact OD1-NZ 2.77Å; D252-K300 IonicContact OD2-NZ 3.83Å; D252-K300 PolarHBondContact OD2-NZ 3.5Å; D296-K300 WeakPolarHBondContact O-CB 3.45Å; D296-K300 PolarHBondContact O-N 2.91Å; Y297-K300 PolarHBondContact O-N 3.28Å; D298-K300 PolarHBondContact O-N 3.35Å; K300-S304 VanDerWaalsContact O-CB 3.25Å; K300-S304 WeakPolarHBondContact O-CB 3.46Å; K300-S304 PolarHBondContact O-N 2.79Å; K300-S304 PolarHBondContact O-OG 2.93Å
301	L	76.2	Confident	83.2	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-38.2	174.6	-179.4	60.5	0	0	0	112.7	Y297 D298 K299 S304 Q305	Y297-L301 VanDerWaalsContact O-CB 3.25Å; Y297-L301 WeakPolarHBondContact O-CB 3.46Å; Y297-L301 PolarHBondContact O-N 2.66Å; D298-L301 CarbonylContact O-C 3.53Å; D298-L301 WeakPolarHBondContact O-CB 3.33Å; D298-L301 PolarHBondContact O-N 3.36Å; D298-L301 VanDerWaalsContact O-N 3.15Å; K299-L301 PolarHBondContact O-N 3.16Å; L301-S304 PolarHBondContact O-OG 2.65Å; L301-Q305 WeakPolarHBondContact O-CG 3.44Å; L301-Q305 PolarHBondContact O-NE2 2.91Å
302	K	73.6	Confident	83.1	Confident	37 Å²	37	56.6 Å²	56.6	16%	0.161	29%	0.287	C	S	.	.	H	α-helix	trans	-74.9	-45.6	177.6	-57.7	-141.9	-177.1	-168.9	0	112.3	D298 K299 S304 Q305 M335 W396	D298-K302 WeakPolarHBondContact O-CG 3.45Å; D298-K302 PolarHBondContact O-N 2.87Å; D298-K302 WeakPolarHBondContact OD1-CE 3.47Å; D298-K302 VanDerWaalsContact OD2-CE 3.3Å; D298-K302 WeakPolarHBondContact OD2-CE 3.37Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-K302 VanDerWaalsContact O-N 3.11Å; K302-S304 VanDerWaalsContact C-N 3.3Å; K302-S304 PolarHBondContact O-N 2.83Å; K302-Q305 WeakPolarHBondContact O-CB 3.13Å; K302-Q305 PolarHBondContact O-N 2.87Å; K302-Q305 VanDerWaalsContact O-N 3.14Å; K302-M335 HydrophobicContact CB-SD 4.17Å; K302-M335 HydrophobicContact CD-CG 4.49Å; K302-M335 HydrophobicContact CD-SD 3.42Å; K302-M335 WeakPolarHBondContact CD-SD 3.31Å; K302-M335 HydrophobicContact CG-SD 3.51Å; K302-M335 VanDerWaalsContact CG-SD 3.51Å; K302-W396 HydrophobicContact CB-CB 4.19Å; K302-W396 HydrophobicContact CD-CB 4.46Å
303	E	74.4	Confident	83.2	Confident	105 Å²	105	55.6 Å²	55.6	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-68	-29.8	-177.5	-68.2	177.3	165.8	0	0	112	K299 Q305	K299-E303 WeakPolarHBondContact CE-OE1 3.15Å; K299-E303 WeakPolarHBondContact CE-OE2 2.99Å; K299-E303 HydrophobicContact CG-CG 4.35Å; K299-E303 IonicContact NZ-OE1 2.73Å; K299-E303 WeakPolarHBondContact O-CB 3.42Å; K299-E303 WeakPolarHBondContact O-CG 3.37Å; K299-E303 PolarHBondContact O-N 3.29Å; E303-Q305 PolarHBondContact O-N 3.45Å
304	S	70.4	Confident	83.4	Confident	81 Å²	81	54.4 Å²	54.4	57%	0.566	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	7.3	173	60.8	0	0	0	0	115.3	K300 L301 K302	K300-S304 VanDerWaalsContact O-CB 3.25Å; K300-S304 WeakPolarHBondContact O-CB 3.46Å; K300-S304 PolarHBondContact O-N 2.79Å; K300-S304 PolarHBondContact O-OG 2.93Å; L301-S304 PolarHBondContact O-OG 2.65Å; K302-S304 VanDerWaalsContact C-N 3.3Å; K302-S304 PolarHBondContact O-N 2.83Å
305	Q	70	Confident	83.4	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.042	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	1.8	-179.7	-77.6	177.8	73.4	0	0	115.2	L301 K302 E303 Q307 S333 F394	L301-Q305 WeakPolarHBondContact O-CG 3.44Å; L301-Q305 PolarHBondContact O-NE2 2.91Å; K302-Q305 WeakPolarHBondContact O-CB 3.13Å; K302-Q305 PolarHBondContact O-N 2.87Å; K302-Q305 VanDerWaalsContact O-N 3.14Å; E303-Q305 PolarHBondContact O-N 3.45Å; Q305-Q307 WeakPolarHBondContact O-CG 3.47Å; Q305-Q307 PolarHBondContact O-N 3.28Å; Q305-Q307 PolarHBondContact O-NE2 3.37Å; Q305-S333 PolarHBondContact OE1-OG 3.01Å; Q305-F394 HydrophobicContact CB-CD2 3.58Å; Q305-F394 HydrophobicContact CB-CE2 3.68Å; Q305-F394 WeakPolarHBondContact O-CE2 3.4Å
306	T	78.1	Confident	83.2	Confident	44 Å²	44	60.6 Å²	60.6	27%	0.27	30%	0.303	S	S	.	.			trans	-45.9	128	173.8	-75.2	0	0	0	0	111.9	Q391 V392 D393	T306-Q391 HydrophobicContact CG2-CG 3.65Å; T306-V392 WeakPolarHBondContact CA-O 3.42Å; T306-D393 WeakPolarHBondContact CB-OD1 3.47Å; T306-D393 WeakPolarHBondContact CG2-OD1 3.27Å; T306-D393 PolarHBondContact OG1-OD1 2.85Å
307	Q	80.8	Confident	82.9	Confident	41 Å²	41	57.3 Å²	57.3	19%	0.192	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.9	178.3	-58.1	-59.6	-78.8	0	0	110	Q305 I310 L328 Q391 V392	Q305-Q307 WeakPolarHBondContact O-CG 3.47Å; Q305-Q307 PolarHBondContact O-N 3.28Å; Q305-Q307 PolarHBondContact O-NE2 3.37Å; Q307-I310 HydrophobicContact CB-CD1 3.86Å; Q307-I310 HydrophobicContact CB-CG1 4.06Å; Q307-L328 HydrophobicContact CB-CD2 4.21Å; Q307-L328 HydrophobicContact CG-CD2 4.16Å; Q307-Q391 CarbonylContact O-C 3.54Å; Q307-Q391 VanDerWaalsContact O-CA 3.32Å; Q307-Q391 WeakPolarHBondContact O-CA 3.38Å; Q307-V392 PolarHBondContact N-O 3.48Å; Q307-V392 PolarHBondContact O-N 2.9Å
308	D	82.3	Confident	82.6	Confident	77 Å²	77	62.2 Å²	62.2	41%	0.412	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	169.9	174.2	-74.3	-75.3	0	0	0	111.8	I310 K348 Q391	D308-I310 PolarHBondContact O-N 2.92Å; D308-K348 IonicContact OD1-NZ 3.75Å; D308-K348 PolarHBondContact OD1-NZ 3.28Å; D308-K348 IonicContact OD2-NZ 2.63Å; D308-Q391 WeakPolarHBondContact OD1-CB 3.34Å; D308-Q391 VanDerWaalsContact OD1-CG 3.3Å; D308-Q391 WeakPolarHBondContact OD1-CG 3.43Å; D308-Q391 PolarHBondContact OD1-NE2 2.82Å; D308-Q391 PolarHBondContact OD2-NE2 3.46Å
309	N	83.8	Confident	82.2	Confident	129 Å²	129	65.1 Å²	65.1	69%	0.69	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.9	31.1	179.3	-62	-8.3	0	0	0	114.9	F390	N309-F390 PolarHBondContact N-O 3.5Å; N309-F390 VanDerWaalsContact N-O 3.14Å
310	I	88.6	Confident	82.1	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.9	174.1	-60.9	-54.8	0	0	0	110.1	Q307 D308 V312 F326 L328 F390 V392	Q307-I310 HydrophobicContact CB-CD1 3.86Å; Q307-I310 HydrophobicContact CB-CG1 4.06Å; D308-I310 PolarHBondContact O-N 2.92Å; I310-V312 HydrophobicContact CG2-CG2 4.34Å; I310-F326 HydrophobicContact CG2-CB 3.57Å; I310-F326 HydrophobicContact CG2-CD2 4.23Å; I310-F326 HydrophobicContact CG2-CG 4.01Å; I310-L328 HydrophobicContact CD1-CD2 3.65Å; I310-L328 HydrophobicContact CG1-CD2 4.03Å; I310-F390 HydrophobicContact CB-CB 4.33Å; I310-F390 PolarHBondContact N-O 3.14Å; I310-F390 PolarHBondContact O-N 3.04Å; I310-F390 VanDerWaalsContact O-N 3.09Å; I310-V392 HydrophobicContact CB-CG2 4.23Å; I310-V392 HydrophobicContact CG1-CB 4.32Å; I310-V392 HydrophobicContact CG1-CG2 3.92Å; I310-V392 HydrophobicContact CG2-CG2 4.07Å
311	T	89.7	Confident	82.2	Confident	72 Å²	72	68.1 Å²	68.1	44%	0.442	35%	0.348	S	S	.	.			trans	-98.6	131.8	169.2	-65	0	0	0	0	109.7	F326 P387 H388	T311-F326 WeakPolarHBondContact O-CB 3.12Å; T311-P387 CarbonylContact C-O 3.44Å; T311-P387 WeakPolarHBondContact CA-O 3.38Å; T311-P387 HydrophobicContact CG2-CB 4.41Å; T311-P387 WeakPolarHBondContact CG2-O 3.24Å; T311-H388 WeakPolarHBondContact CG2-ND1 3.37Å; T311-H388 PolarHBondContact OG1-ND1 2.94Å
312	V	93.6	Very high	82.9	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.5	-174.7	177.2	0	0	0	0	110	I310 W314 A324 Y325 F326 L345 P387 F390	I310-V312 HydrophobicContact CG2-CG2 4.34Å; V312-W314 HydrophobicContact CG1-CD2 3.97Å; V312-W314 HydrophobicContact CG1-CE3 4.46Å; V312-W314 HydrophobicContact CG1-CG 4.31Å; V312-W314 HydrophobicContact CG1-CZ2 4.18Å; V312-A324 HydrophobicContact CG1-CB 3.74Å; V312-Y325 CarbonylContact C-O 3.6Å; V312-Y325 WeakPolarHBondContact CA-O 3.26Å; V312-F326 HydrophobicContact CG2-CB 4.38Å; V312-L345 HydrophobicContact CG2-CD1 4.02Å; V312-L345 HydrophobicContact CG2-CD2 4.26Å; V312-P387 PolarHBondContact N-O 2.99Å; V312-P387 WeakPolarHBondContact O-CA 3.35Å; V312-P387 WeakPolarHBondContact O-CB 3.49Å; V312-F390 HydrophobicContact CB-CD2 3.94Å; V312-F390 HydrophobicContact CB-CE2 4.06Å; V312-F390 HydrophobicContact CB-CG 4.4Å; V312-F390 HydrophobicContact CG2-CB 3.87Å; V312-F390 HydrophobicContact CG2-CD1 4.15Å; V312-F390 HydrophobicContact CG2-CD2 3.54Å; V312-F390 HydrophobicContact CG2-CE2 4.12Å; V312-F390 HydrophobicContact CG2-CG 3.57Å
313	R	93.7	Very high	83.8	Confident	102 Å²	102	69 Å²	69	39%	0.385	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.7	166.3	177.3	-179.6	67.6	76.9	-8.5	108.4	D315 Y325 E371	R313-D315 IonicContact NH1-OD2 2.68Å; R313-D315 PolarHBondContact NH1-OD2 3.33Å; R313-D315 VanDerWaalsContact NH1-OD2 3.15Å; R313-Y325 PolarHBondContact N-O 3.17Å; R313-Y325 PolarHBondContact O-N 3.43Å; R313-E371 IonicContact CZ-OE1 3.85Å; R313-E371 IonicContact CZ-OE2 2.85Å; R313-E371 IonicContact NE-OE1 2.81Å; R313-E371 PolarHBondContact NE-OE1 3.12Å; R313-E371 VanDerWaalsContact NE-OE1 3.11Å; R313-E371 IonicContact NE-OE2 3.97Å; R313-E371 IonicContact NH2-OE1 2.74Å; R313-E371 PolarHBondContact NH2-OE1 2.98Å; R313-E371 IonicContact NH2-OE2 3.93Å; R313-E371 PolarHBondContact NH2-OE2 2.77Å
314	W	93.8	Very high	84.7	Confident	35 Å²	35	64 Å²	64	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150.3	177.8	-65.3	103.9	0	0	0	112.1	V312 R322 A324 L345 W355 L376 A382 P383 V384 I386 F390	V312-W314 HydrophobicContact CG1-CD2 3.97Å; V312-W314 HydrophobicContact CG1-CE3 4.46Å; V312-W314 HydrophobicContact CG1-CG 4.31Å; V312-W314 HydrophobicContact CG1-CZ2 4.18Å; W314-R322 HydrophobicContact CE3-CG 3.68Å; W314-R322 HydrophobicContact CZ3-CG 3.67Å; W314-A324 HydrophobicContact CE3-CB 3.91Å; W314-A324 HydrophobicContact CH2-CB 4.27Å; W314-A324 HydrophobicContact CZ3-CB 3.69Å; W314-L345 HydrophobicContact CH2-CD2 3.94Å; W314-L345 HydrophobicContact CZ2-CD2 4.36Å; W314-W355 AromaticContact CH2-CH2 3.93Å; W314-W355 HydrophobicContact CH2-CH2 3.93Å; W314-W355 HydrophobicContact CH2-CZ3 4.23Å; W314-L376 HydrophobicContact CH2-CD1 4.09Å; W314-L376 HydrophobicContact CZ3-CD1 3.75Å; W314-L376 HydrophobicContact CZ3-CG 4.46Å; W314-A382 HydrophobicContact CH2-CB 4.05Å; W314-A382 HydrophobicContact CZ3-CB 4.17Å; W314-P383 HydrophobicContact CZ2-CG 4.28Å; W314-P383 PolarHBondContact NE1-O 3Å; W314-P383 VanDerWaalsContact NE1-O 3.1Å; W314-V384 HydrophobicContact CB-CB 4.42Å; W314-V384 HydrophobicContact CB-CG1 4.4Å; W314-V384 HydrophobicContact CD2-CG1 4.14Å; W314-V384 HydrophobicContact CE3-CG1 4.36Å; W314-V384 HydrophobicContact CG-CB 4.23Å; W314-V384 HydrophobicContact CG-CG1 4.19Å; W314-I386 PolarHBondContact NE1-O 2.87Å; W314-I386 VanDerWaalsContact NE1-O 3.17Å; W314-F390 AromaticContact CZ2-CE1 3.87Å; W314-F390 HydrophobicContact CZ2-CE1 3.87Å; W314-F390 AromaticContact CZ2-CZ 3.86Å; W314-F390 HydrophobicContact CZ2-CZ 3.86Å
315	D	92.3	Very high	85.8	Confident	62 Å²	62	62.3 Å²	62.3	33%	0.332	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	173.6	-177.4	-150.6	-26	0	0	0	110.5	R313 R322 I323 Y325	R313-D315 IonicContact NH1-OD2 2.68Å; R313-D315 PolarHBondContact NH1-OD2 3.33Å; R313-D315 VanDerWaalsContact NH1-OD2 3.15Å; D315-R322 WeakPolarHBondContact O-CD 3.38Å; D315-R322 PolarHBondContact O-NH1 3.2Å; D315-I323 HydrophobicContact CB-CB 4.25Å; D315-I323 PolarHBondContact N-O 2.87Å; D315-I323 PolarHBondContact O-N 3.34Å; D315-I323 VanDerWaalsContact O-N 3.15Å; D315-Y325 HydrophobicContact CB-CD2 3.93Å; D315-Y325 HydrophobicContact CB-CE2 3.55Å; D315-Y325 VanDerWaalsContact OD2-CE2 3.24Å; D315-Y325 WeakPolarHBondContact OD2-CE2 3.49Å
316	L	87.4	Confident	86.8	Confident	94 Å²	94	62 Å²	62	49%	0.492	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.5	175.6	-166.8	74.1	0	0	0	110.2	K320	L316-K320 WeakPolarHBondContact CD1-O 3.44Å
317	G	81.6	Confident	87	Confident	12 Å²	12	63.4 Å²	63.4	12%	0.124	32%	0.315	C	S	.	.			trans	-65.4	155.7	176.5	0	0	0	0	0	112.3	N319 K320 K321	G317-N319 PolarHBondContact O-N 3Å; G317-N319 VanDerWaalsContact O-N 3.09Å; G317-K320 WeakPolarHBondContact O-CA 3.39Å; G317-K320 PolarHBondContact O-N 3.45Å; G317-K321 PolarHBondContact N-O 2.83Å
318	L	78.8	Confident	86.8	Confident	190 Å²	190	62.6 Å²	62.6	100%	0.995	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.8	173.8	-61.5	177.1	0	0	0	112.5	K320	L318-K320 PolarHBondContact O-N 3.29Å
319	N	74.8	Confident	86	Confident	83 Å²	83	61.8 Å²	61.8	44%	0.444	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	15.5	171.5	67.4	2.3	0	0	0	114.2	G317 K321 E375	G317-N319 PolarHBondContact O-N 3Å; G317-N319 VanDerWaalsContact O-N 3.09Å; N319-K321 PolarHBondContact O-N 3.08Å; N319-K321 VanDerWaalsContact O-N 3.1Å; N319-K321 WeakPolarHBondContact OD1-CB 3.35Å; N319-K321 PolarHBondContact OD1-N 3.12Å; N319-K321 VanDerWaalsContact OD1-N 3.17Å; N319-E375 PolarHBondContact ND2-OE2 3.33Å
320	K	80.7	Confident	84.8	Confident	152 Å²	152	58.9 Å²	58.9	66%	0.661	29%	0.293	S	S	*	.	S	Bend	trans	59.8	9.8	-177.6	-54.7	176	-175.8	169.5	0	115.9	L316 G317 L318	L316-K320 WeakPolarHBondContact CD1-O 3.44Å; G317-K320 WeakPolarHBondContact O-CA 3.39Å; G317-K320 PolarHBondContact O-N 3.45Å; L318-K320 PolarHBondContact O-N 3.29Å
321	K	82.3	Confident	82.9	Confident	81 Å²	81	61.4 Å²	61.4	35%	0.352	31%	0.308	S	S	.	.			trans	-85.7	148.5	176.6	-68.1	175.5	-178.1	165.6	0	112.3	G317 N319 I323 E375	G317-K321 PolarHBondContact N-O 2.83Å; N319-K321 PolarHBondContact O-N 3.08Å; N319-K321 VanDerWaalsContact O-N 3.1Å; N319-K321 WeakPolarHBondContact OD1-CB 3.35Å; N319-K321 PolarHBondContact OD1-N 3.12Å; N319-K321 VanDerWaalsContact OD1-N 3.17Å; K321-I323 PolarHBondContact O-N 3.07Å; K321-E375 HydrophobicContact CB-CG 3.94Å; K321-E375 HydrophobicContact CD-CG 3.66Å; K321-E375 VanDerWaalsContact CD-OE1 3.23Å; K321-E375 WeakPolarHBondContact CD-OE1 3.31Å; K321-E375 VanDerWaalsContact CD-OE2 3.32Å; K321-E375 WeakPolarHBondContact CD-OE2 3.46Å; K321-E375 IonicContact NZ-OE1 2.62Å; K321-E375 PolarHBondContact NZ-OE1 3.17Å; K321-E375 IonicContact NZ-OE2 2.73Å; K321-E375 PolarHBondContact NZ-OE2 2.82Å
322	R	90.3	Very high	80.9	Confident	57 Å²	57	59.1 Å²	59.1	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.9	175.8	-173.4	58.9	59.6	-159.1	12.3	110.4	W314 D315 L376 S379 A382 V384	W314-R322 HydrophobicContact CE3-CG 3.68Å; W314-R322 HydrophobicContact CZ3-CG 3.67Å; D315-R322 WeakPolarHBondContact O-CD 3.38Å; D315-R322 PolarHBondContact O-NH1 3.2Å; R322-L376 HydrophobicContact CB-CD1 4.25Å; R322-L376 HydrophobicContact CG-CD1 3.98Å; R322-L376 PolarHBondContact O-N 2.73Å; R322-S379 PolarHBondContact N-OG 2.96Å; R322-A382 HydrophobicContact CG-CB 4.13Å; R322-V384 HydrophobicContact CG-CG1 4.48Å
323	I	92.8	Very high	78.7	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139	174.5	-59.2	170	0	0	0	108.7	D315 K321 Y325 I362 A373 I374	D315-I323 HydrophobicContact CB-CB 4.25Å; D315-I323 PolarHBondContact N-O 2.87Å; D315-I323 PolarHBondContact O-N 3.34Å; D315-I323 VanDerWaalsContact O-N 3.15Å; K321-I323 PolarHBondContact O-N 3.07Å; I323-Y325 HydrophobicContact CB-CE2 4.24Å; I323-Y325 HydrophobicContact CG2-CD2 3.76Å; I323-Y325 HydrophobicContact CG2-CE2 3.42Å; I323-Y325 VanDerWaalsContact CG2-CE2 3.42Å; I323-I362 HydrophobicContact CD1-CD1 3.87Å; I323-I362 HydrophobicContact CG1-CD1 4.13Å; I323-I362 HydrophobicContact CG2-CD1 4.06Å; I323-A373 HydrophobicContact CG2-CB 4.18Å; I323-I374 WeakPolarHBondContact CA-O 3.38Å
324	A	93.8	Very high	76.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.3	170.8	0	0	0	0	0	109.3	V312 W314 L345 A373 I374	V312-A324 HydrophobicContact CG1-CB 3.74Å; W314-A324 HydrophobicContact CE3-CB 3.91Å; W314-A324 HydrophobicContact CH2-CB 4.27Å; W314-A324 HydrophobicContact CZ3-CB 3.69Å; A324-L345 HydrophobicContact CB-CD2 3.88Å; A324-A373 WeakPolarHBondContact O-CA 3.47Å; A324-I374 HydrophobicContact CB-CD1 4.49Å; A324-I374 HydrophobicContact CB-CG1 3.93Å; A324-I374 PolarHBondContact N-O 3.02Å; A324-I374 PolarHBondContact O-N 3.34Å
325	Y	93	Very high	74.4	Confident	46 Å²	46	59.7 Å²	59.7	18%	0.18	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.1	171.5	-66.8	-100.2	0	0	0	109.8	V312 R313 D315 I323 E371 I372 A373	V312-Y325 CarbonylContact C-O 3.6Å; V312-Y325 WeakPolarHBondContact CA-O 3.26Å; R313-Y325 PolarHBondContact N-O 3.17Å; R313-Y325 PolarHBondContact O-N 3.43Å; D315-Y325 HydrophobicContact CB-CD2 3.93Å; D315-Y325 HydrophobicContact CB-CE2 3.55Å; D315-Y325 VanDerWaalsContact OD2-CE2 3.24Å; D315-Y325 WeakPolarHBondContact OD2-CE2 3.49Å; I323-Y325 HydrophobicContact CB-CE2 4.24Å; I323-Y325 HydrophobicContact CG2-CD2 3.76Å; I323-Y325 HydrophobicContact CG2-CE2 3.42Å; I323-Y325 VanDerWaalsContact CG2-CE2 3.42Å; Y325-E371 VanDerWaalsContact CD1-OE2 3.28Å; Y325-E371 WeakPolarHBondContact CD1-OE2 3.37Å; Y325-I372 CarbonylContact C-O 3.6Å; Y325-I372 VanDerWaalsContact CA-O 3.31Å; Y325-I372 WeakPolarHBondContact CA-O 3.38Å; Y325-A373 HydrophobicContact CD1-CB 3.43Å; Y325-A373 VanDerWaalsContact CD1-CB 3.43Å; Y325-A373 HydrophobicContact CE1-CB 3.46Å; Y325-A373 VanDerWaalsContact CE1-CB 3.46Å; Y325-A373 HydrophobicContact CG-CB 4.03Å
326	F	90	Very high	73	Confident	3 Å²	3	63 Å²	63	1%	0.013	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	154.5	174.6	51.5	-93	0	0	0	110.9	I310 T311 V312 L328 I343 I372 I374 V392	I310-F326 HydrophobicContact CG2-CB 3.57Å; I310-F326 HydrophobicContact CG2-CD2 4.23Å; I310-F326 HydrophobicContact CG2-CG 4.01Å; T311-F326 WeakPolarHBondContact O-CB 3.12Å; V312-F326 HydrophobicContact CG2-CB 4.38Å; F326-L328 HydrophobicContact CD2-CD2 3.69Å; F326-L328 HydrophobicContact CD2-CG 3.94Å; F326-L328 HydrophobicContact CE2-CD1 4.25Å; F326-L328 HydrophobicContact CE2-CD2 3.78Å; F326-L328 HydrophobicContact CE2-CG 3.88Å; F326-I343 HydrophobicContact CZ-CD1 4Å; F326-I343 HydrophobicContact CZ-CG2 4.29Å; F326-I372 HydrophobicContact CD2-CB 4.26Å; F326-I372 HydrophobicContact CD2-CG2 4.48Å; F326-I372 HydrophobicContact CE1-CG2 4.41Å; F326-I372 HydrophobicContact CE2-CB 3.93Å; F326-I372 HydrophobicContact CE2-CD1 4.3Å; F326-I372 HydrophobicContact CE2-CG2 3.73Å; F326-I372 HydrophobicContact CZ-CB 4.34Å; F326-I372 HydrophobicContact CZ-CG2 3.69Å; F326-I372 PolarHBondContact N-O 2.89Å; F326-I372 PolarHBondContact O-N 3.33Å; F326-I374 HydrophobicContact CE1-CD1 3.99Å; F326-I374 HydrophobicContact CE1-CG1 4.04Å; F326-I374 HydrophobicContact CE1-CG2 3.97Å; F326-I374 HydrophobicContact CZ-CG2 3.98Å; F326-V392 HydrophobicContact CD2-CG2 4.16Å; F326-V392 HydrophobicContact CE1-CG2 4.46Å; F326-V392 HydrophobicContact CE2-CG1 4.12Å; F326-V392 HydrophobicContact CE2-CG2 3.92Å; F326-V392 HydrophobicContact CZ-CG1 4.29Å; F326-V392 HydrophobicContact CZ-CG2 4.08Å
327	T	83.4	Confident	72.3	Confident	73 Å²	73	60 Å²	60	45%	0.448	30%	0.3	S	S	.	.			trans	-104.3	126.1	170.2	-58.9	0	0	0	0	108.7	D370	T327-D370 HydrophobicContact CG2-CB 4.18Å
328	L	77	Confident	71.8	Confident	24 Å²	24	64.8 Å²	64.8	13%	0.126	32%	0.321	C	S	.	.			trans	-85.4	146.1	171.5	-63.5	-176.6	0	0	0	110.4	Q307 I310 F326 K330 I372 V392 F394	Q307-L328 HydrophobicContact CB-CD2 4.21Å; Q307-L328 HydrophobicContact CG-CD2 4.16Å; I310-L328 HydrophobicContact CD1-CD2 3.65Å; I310-L328 HydrophobicContact CG1-CD2 4.03Å; F326-L328 HydrophobicContact CD2-CD2 3.69Å; F326-L328 HydrophobicContact CD2-CG 3.94Å; F326-L328 HydrophobicContact CE2-CD1 4.25Å; F326-L328 HydrophobicContact CE2-CD2 3.78Å; F326-L328 HydrophobicContact CE2-CG 3.88Å; L328-K330 PolarHBondContact O-N 3.29Å; L328-I372 HydrophobicContact CB-CD1 4.33Å; L328-I372 HydrophobicContact CD1-CD1 3.67Å; L328-I372 HydrophobicContact CG-CD1 3.79Å; L328-V392 HydrophobicContact CD1-CG1 4.37Å; L328-V392 HydrophobicContact CD2-CB 4.07Å; L328-V392 HydrophobicContact CD2-CG1 4.04Å; L328-V392 HydrophobicContact CD2-CG2 4.13Å; L328-F394 HydrophobicContact CD1-CE1 4.25Å; L328-F394 HydrophobicContact CD1-CE2 4.3Å; L328-F394 HydrophobicContact CD1-CZ 3.51Å
329	P	65.8	Low	71.7	Confident	60 Å²	60	59.3 Å²	59.3	39%	0.39	29%	0.29	S	S	.	.			trans	-56	129.8	173.3	-23.2	33.4	0	0	0	110.4	T331	P329-T331 PolarHBondContact O-N 2.84Å; P329-T331 PolarHBondContact O-OG1 3.35Å
330	K	58.6	Low	71.8	Confident	69 Å²	69	55.6 Å²	55.6	30%	0.3	27%	0.271	S	S	.	.			trans	-58.2	106.2	-175.8	-62.4	-174.8	-179.2	-172.1	0	110.6	L328 D370 S741 S782	L328-K330 PolarHBondContact O-N 3.29Å; K330-D370 WeakPolarHBondContact CE-OD2 3.43Å; K330-D370 IonicContact NZ-OD1 3.02Å; K330-D370 IonicContact NZ-OD2 3.33Å; K330-D370 PolarHBondContact NZ-OD2 3.25Å; K330-S741 WeakPolarHBondContact O-CB 3.33Å; K330-S782 WeakPolarHBondContact CE-OG 3.47Å; K330-S782 PolarHBondContact NZ-OG 2.72Å
331	T	48.5	Very low	71.9	Confident	60 Å²	60	50.2 Å²	50.2	37%	0.368	25%	0.25	S	C	.	.			trans	-122.6	128.5	178.5	41.3	0	0	0	0	108.9	P329 S333	P329-T331 PolarHBondContact O-N 2.84Å; P329-T331 PolarHBondContact O-OG1 3.35Å; T331-S333 PolarHBondContact O-N 3.27Å
332	D	47.2	Very low	72.1	Confident	24 Å²	24	47.4 Å²	47.4	13%	0.128	24%	0.238	C	C	.	.			trans	-79.9	73.4	165.8	-71.7	-59.9	0	0	0	107.8	S741 T743 S744	D332-S741 VanDerWaalsContact CG-OG 3.29Å; D332-S741 WeakPolarHBondContact OD2-CB 3.21Å; D332-S741 PolarHBondContact OD2-OG 3.23Å; D332-T743 WeakPolarHBondContact CB-OG1 3.39Å; D332-T743 PolarHBondContact OD2-OG1 2.63Å; D332-S744 WeakPolarHBondContact OD1-CB 3.49Å; D332-S744 WeakPolarHBondContact OD2-CB 3.42Å; D332-S744 PolarHBondContact OD2-N 3.32Å
333	S	47.3	Very low	72.1	Confident	24 Å²	24	44.7 Å²	44.7	17%	0.168	23%	0.227	C	C	.	.			trans	-79.5	139.3	154.4	48.1	0	0	0	0	108.5	Q305 T331 M335	Q305-S333 PolarHBondContact OE1-OG 3.01Å; T331-S333 PolarHBondContact O-N 3.27Å; S333-M335 PolarHBondContact O-N 3.2Å
334	D	45.6	Very low	72	Confident	109 Å²	109	44.3 Å²	44.3	58%	0.583	23%	0.226	S	C	*	.	S	Bend	trans	-63.9	-12	174.3	-53.5	-84.9	0	0	0	112.2	R336 M652	D334-R336 PolarHBondContact O-N 3.44Å; D334-M652 HydrophobicContact CB-CE 4.12Å; D334-M652 HydrophobicContact CB-SD 3.84Å; D334-M652 VanDerWaalsContact O-CE 3.3Å; D334-M652 WeakPolarHBondContact O-CE 3.43Å
335	M	51.2	Low	72	Confident	17 Å²	17	44.3 Å²	44.3	8%	0.084	23%	0.226	C	C	.	.			trans	-75.6	100.8	174.7	-174.3	-172.4	79.6	0	0	112	K302 S333 L337 F394	K302-M335 HydrophobicContact CB-SD 4.17Å; K302-M335 HydrophobicContact CD-CG 4.49Å; K302-M335 HydrophobicContact CD-SD 3.42Å; K302-M335 WeakPolarHBondContact CD-SD 3.31Å; K302-M335 HydrophobicContact CG-SD 3.51Å; K302-M335 VanDerWaalsContact CG-SD 3.51Å; S333-M335 PolarHBondContact O-N 3.2Å; M335-L337 PolarHBondContact O-N 2.92Å; M335-F394 HydrophobicContact CE-CB 4.36Å; M335-F394 HydrophobicContact CE-CD1 3.37Å; M335-F394 HydrophobicContact CE-CD2 4.15Å; M335-F394 HydrophobicContact CE-CE1 3.49Å; M335-F394 VanDerWaalsContact CE-CE1 3.49Å; M335-F394 HydrophobicContact CE-CE2 4.25Å; M335-F394 HydrophobicContact CE-CG 3.7Å; M335-F394 HydrophobicContact CE-CZ 3.92Å
336	R	63.3	Low	72	Confident	132 Å²	132	46.4 Å²	46.4	50%	0.498	23%	0.233	S	C	.	.			trans	-74.9	115.1	168.7	-62.6	175.9	-173.5	151.9	3.8	110.1	D334 M338 D808	D334-R336 PolarHBondContact O-N 3.44Å; R336-M338 PolarHBondContact O-N 3.33Å; R336-D808 IonicContact CZ-OD2 2.83Å; R336-D808 VanDerWaalsContact NH1-CB 3.3Å; R336-D808 IonicContact NH1-OD2 2.74Å; R336-D808 PolarHBondContact NH1-OD2 3.34Å; R336-D808 IonicContact NH2-OD2 3.71Å; R336-D808 PolarHBondContact NH2-OD2 2.92Å
337	L	71.8	Confident	72.2	Confident	31 Å²	31	46.4 Å²	46.4	16%	0.162	23%	0.234	C	C	.	.			trans	-61.8	130.6	170.6	-167.1	66.8	0	0	0	110	M335 D341 I343 V361 V364 I372 F394	M335-L337 PolarHBondContact O-N 2.92Å; L337-D341 HydrophobicContact CD1-CB 3.9Å; L337-I343 HydrophobicContact CD1-CD1 4.28Å; L337-I343 HydrophobicContact CD2-CD1 4.23Å; L337-V361 HydrophobicContact CD1-CG2 3.93Å; L337-V361 HydrophobicContact CD2-CG1 4.04Å; L337-V361 HydrophobicContact CD2-CG2 3.89Å; L337-V361 HydrophobicContact CG-CG1 4.24Å; L337-V361 HydrophobicContact CG-CG2 3.99Å; L337-V364 HydrophobicContact CG-CG1 4.41Å; L337-V364 WeakPolarHBondContact O-CG1 3.5Å; L337-I372 HydrophobicContact CD2-CD1 3.79Å; L337-I372 HydrophobicContact CD2-CG1 3.94Å; L337-I372 HydrophobicContact CD2-CG2 4Å; L337-F394 HydrophobicContact CD1-CD1 4.14Å; L337-F394 HydrophobicContact CD1-CE1 3.94Å
338	M	72.3	Confident	72.5	Confident	112 Å²	112	47.9 Å²	47.9	55%	0.552	23%	0.234	S	C	*	.			trans	-112.4	150.3	178.1	-54.8	-163.4	-159.2	0	0	111.2	R336 G340 D341	R336-M338 PolarHBondContact O-N 3.33Å; M338-G340 PolarHBondContact O-N 3.41Å; M338-D341 PolarHBondContact N-OD2 3.11Å; M338-D341 WeakPolarHBondContact O-CB 3.47Å; M338-D341 PolarHBondContact O-N 2.95Å
339	Q	75.6	Confident	73	Confident	76 Å²	76	46.9 Å²	46.9	36%	0.355	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	129.4	167.2	-63.3	173.4	-50.9	0	0	109.7	V361 I362 V364 R530 I533	Q339-V361 CarbonylContact C-O 3.55Å; Q339-V361 VanDerWaalsContact CA-O 3.3Å; Q339-V361 WeakPolarHBondContact CA-O 2.9Å; Q339-I362 PolarHBondContact NE2-O 3.48Å; Q339-V364 HydrophobicContact CG-CG1 4.25Å; Q339-R530 PolarHBondContact O-NH1 3.38Å; Q339-I533 VanDerWaalsContact C-CD1 3.48Å; Q339-I533 HydrophobicContact CB-CD1 3.58Å; Q339-I533 HydrophobicContact CB-CG1 4.25Å; Q339-I533 WeakPolarHBondContact O-CD1 3.5Å
340	G	77.9	Confident	74.1	Confident	4 Å²	4	51.5 Å²	51.5	4%	0.041	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	5.5	-173.3	0	0	0	0	0	115.6	M338 V361 S529	M338-G340 PolarHBondContact O-N 3.41Å; G340-V361 PolarHBondContact N-O 3.23Å; G340-S529 WeakPolarHBondContact CA-O 3.24Å; G340-S529 WeakPolarHBondContact O-CB 3.39Å; G340-S529 PolarHBondContact O-OG 3.27Å
341	D	82.7	Confident	75.5	Confident	40 Å²	40	55.2 Å²	55.2	21%	0.214	27%	0.273	C	S	.	.			trans	-67.7	154.5	162.2	-76.9	-20.7	0	0	0	110.7	L337 M338 H360 V361	L337-D341 HydrophobicContact CD1-CB 3.9Å; M338-D341 PolarHBondContact N-OD2 3.11Å; M338-D341 WeakPolarHBondContact O-CB 3.47Å; M338-D341 PolarHBondContact O-N 2.95Å; D341-H360 CarbonylContact O-C 3.45Å; D341-H360 VanDerWaalsContact O-CA 3.31Å; D341-H360 WeakPolarHBondContact O-CA 3.33Å; D341-V361 HydrophobicContact CB-CG2 4.16Å; D341-V361 PolarHBondContact O-N 2.86Å
342	E	86.6	Confident	77.4	Confident	21 Å²	21	53.9 Å²	53.9	10%	0.098	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.6	178	-84	170.5	-140.9	0	0	111.7	I358 G359 H360 R377 V395 K397	E342-I358 HydrophobicContact CG-CG2 4.4Å; E342-G359 WeakPolarHBondContact CA-O 3.3Å; E342-H360 WeakPolarHBondContact CG-CD2 3.47Å; E342-H360 IonicContact OE1-CD2 2.69Å; E342-H360 IonicContact OE1-NE2 3.98Å; E342-H360 PolarHBondContact OE1-NE2 3.22Å; E342-R377 IonicContact OE1-CZ 3.52Å; E342-R377 IonicContact OE1-NH2 2.72Å; E342-R377 PolarHBondContact OE1-NH2 3.46Å; E342-R377 IonicContact OE2-CZ 3.29Å; E342-R377 IonicContact OE2-NH1 2.85Å; E342-R377 IonicContact OE2-NH2 3.14Å; E342-R377 PolarHBondContact OE2-NH2 3.27Å; E342-V395 HydrophobicContact CB-CB 3.87Å; E342-V395 HydrophobicContact CB-CG1 4.38Å; E342-V395 HydrophobicContact CB-CG2 4.23Å; E342-V395 WeakPolarHBondContact O-CB 3.37Å; E342-V395 PolarHBondContact O-N 2.95Å; E342-K397 VanDerWaalsContact OE1-CE 3.27Å; E342-K397 WeakPolarHBondContact OE1-CE 3.49Å; E342-K397 IonicContact OE1-NZ 3.48Å; E342-K397 PolarHBondContact OE1-NZ 2.82Å; E342-K397 WeakPolarHBondContact OE2-CE 3.43Å; E342-K397 IonicContact OE2-NZ 3.22Å
343	I	89.3	Confident	79.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.6	176.4	-71.8	-177.6	0	0	0	108.3	F326 L337 I358 G359 V361 I372 I374 V392 F394	F326-I343 HydrophobicContact CZ-CD1 4Å; F326-I343 HydrophobicContact CZ-CG2 4.29Å; L337-I343 HydrophobicContact CD1-CD1 4.28Å; L337-I343 HydrophobicContact CD2-CD1 4.23Å; I343-I358 WeakPolarHBondContact O-CA 3.36Å; I343-G359 PolarHBondContact N-O 2.94Å; I343-G359 PolarHBondContact O-N 2.93Å; I343-V361 HydrophobicContact CD1-CG2 3.69Å; I343-V361 HydrophobicContact CG1-CG2 4.06Å; I343-I372 HydrophobicContact CD1-CG2 4.45Å; I343-I374 HydrophobicContact CB-CD1 4.38Å; I343-I374 HydrophobicContact CB-CG2 4.19Å; I343-I374 HydrophobicContact CD1-CG2 4.01Å; I343-I374 HydrophobicContact CG2-CD1 4.06Å; I343-V392 HydrophobicContact CG2-CG1 3.77Å; I343-F394 HydrophobicContact CD1-CE1 4.42Å; I343-F394 HydrophobicContact CG1-CD1 4.43Å
344	C	90.9	Very high	81.5	Confident	5 Å²	5	64 Å²	64	3%	0.034	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	105.2	171.7	161.9	0	0	0	0	108	K356 G357 I358 D393 V395	C344-K356 WeakPolarHBondContact SG-CE 3.25Å; C344-G357 CarbonylContact C-O 3.59Å; C344-G357 WeakPolarHBondContact CA-O 3.24Å; C344-I358 HydrophobicContact CB-CG1 4.46Å; C344-D393 HydrophobicContact CB-CB 3.99Å; C344-D393 PolarHBondContact N-O 2.84Å; C344-D393 PolarHBondContact O-N 2.66Å; C344-V395 HydrophobicContact CB-CG2 3.71Å
345	L	93.5	Very high	83.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.3	175.1	-174.6	69.1	0	0	0	108.3	V312 W314 A324 W355 K356 G357 I374 F390 V392	V312-L345 HydrophobicContact CG2-CD1 4.02Å; V312-L345 HydrophobicContact CG2-CD2 4.26Å; W314-L345 HydrophobicContact CH2-CD2 3.94Å; W314-L345 HydrophobicContact CZ2-CD2 4.36Å; A324-L345 HydrophobicContact CB-CD2 3.88Å; L345-W355 HydrophobicContact CB-CZ3 4.2Å; L345-W355 HydrophobicContact CD2-CH2 4.39Å; L345-W355 HydrophobicContact CD2-CZ3 4.03Å; L345-W355 HydrophobicContact CG-CZ3 4.04Å; L345-W355 WeakPolarHBondContact O-CZ3 3.19Å; L345-K356 WeakPolarHBondContact O-CA 3.36Å; L345-G357 PolarHBondContact N-O 3.42Å; L345-G357 PolarHBondContact O-N 3Å; L345-I374 HydrophobicContact CB-CD1 4.06Å; L345-I374 HydrophobicContact CD2-CD1 4.42Å; L345-F390 HydrophobicContact CD1-CB 3.93Å; L345-F390 HydrophobicContact CD1-CD1 4.01Å; L345-F390 HydrophobicContact CD1-CG 4.26Å; L345-F390 HydrophobicContact CD2-CD1 4.18Å; L345-F390 HydrophobicContact CD2-CE1 4.47Å; L345-F390 HydrophobicContact CG-CD1 3.89Å; L345-V392 HydrophobicContact CD1-CG2 3.7Å
346	R	92.8	Very high	85.7	Confident	90 Å²	90	65.7 Å²	65.7	34%	0.34	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.5	175.8	-49.3	-173	-165.6	-138.8	9.3	110.6	W355 K356 F390 Q391 D393	R346-W355 CarbonylContact C-O 3.4Å; R346-W355 VanDerWaalsContact CA-O 3.23Å; R346-W355 WeakPolarHBondContact CA-O 3.32Å; R346-K356 HydrophobicContact CG-CB 4.47Å; R346-K356 HydrophobicContact CG-CG 4.24Å; R346-F390 CarbonylContact O-C 3.33Å; R346-F390 WeakPolarHBondContact O-CA 3.43Å; R346-F390 WeakPolarHBondContact O-CB 3.44Å; R346-F390 VanDerWaalsContact O-CD1 3.32Å; R346-F390 WeakPolarHBondContact O-CD1 3.33Å; R346-Q391 HydrophobicContact CB-CB 4.33Å; R346-Q391 PolarHBondContact N-O 2.97Å; R346-Q391 PolarHBondContact O-N 3.03Å; R346-D393 IonicContact CZ-OD2 3.64Å; R346-D393 IonicContact NE-OD2 2.83Å; R346-D393 PolarHBondContact NE-OD2 2.87Å; R346-D393 IonicContact NH2-OD2 3.69Å; R346-D393 PolarHBondContact NH2-OD2 3.04Å
347	Y	93.9	Very high	87.1	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132	164.4	-178.4	-111.8	0	0	0	109.4	G349 L351 A352 W355 I386 H388 N389 F390	Y347-G349 WeakPolarHBondContact CE1-O 3.17Å; Y347-G349 VanDerWaalsContact CZ-C 3.5Å; Y347-G349 VanDerWaalsContact CZ-CA 3.49Å; Y347-G349 WeakPolarHBondContact OH-CA 3.42Å; Y347-L351 WeakPolarHBondContact OH-CB 3.36Å; Y347-L351 PolarHBondContact OH-N 2.89Å; Y347-L351 VanDerWaalsContact OH-N 3.09Å; Y347-A352 HydrophobicContact CD1-CB 4.24Å; Y347-A352 HydrophobicContact CE1-CB 3.81Å; Y347-W355 PolarHBondContact N-O 2.83Å; Y347-I386 HydrophobicContact CD2-CG2 4.28Å; Y347-I386 HydrophobicContact CE1-CD1 4.39Å; Y347-I386 HydrophobicContact CE2-CB 4.48Å; Y347-I386 HydrophobicContact CE2-CG2 3.51Å; Y347-H388 WeakPolarHBondContact CE2-O 3.36Å; Y347-N389 HydrophobicContact CE2-CB 4.32Å; Y347-F390 HydrophobicContact CD2-CD1 4.35Å; Y347-F390 HydrophobicContact CD2-CD2 4.42Å; Y347-F390 HydrophobicContact CD2-CE1 4.04Å; Y347-F390 HydrophobicContact CD2-CE2 4.1Å; Y347-F390 AromaticContact CD2-CZ 3.9Å; Y347-F390 HydrophobicContact CD2-CZ 3.9Å; Y347-F390 HydrophobicContact CG-CE1 4.41Å
348	K	90.4	Very high	88	Confident	103 Å²	103	60.9 Å²	60.9	45%	0.448	31%	0.313	S	S	.	.			trans	-126.7	-2.7	-175.1	-92.6	-167.2	177.3	176.7	0	114.4	D308 N389 Q391	D308-K348 IonicContact OD1-NZ 3.75Å; D308-K348 PolarHBondContact OD1-NZ 3.28Å; D308-K348 IonicContact OD2-NZ 2.63Å; K348-N389 PolarHBondContact N-O 3.05Å; K348-Q391 HydrophobicContact CD-CB 4.11Å; K348-Q391 VanDerWaalsContact CE-CD 3.46Å; K348-Q391 HydrophobicContact CG-CB 4.5Å; K348-Q391 VanDerWaalsContact NZ-CD 3.26Å
349	G	87.2	Confident	88.8	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	-81.9	176	176.3	0	0	0	0	0	113.2	Y347	Y347-G349 WeakPolarHBondContact CE1-O 3.17Å; Y347-G349 VanDerWaalsContact CZ-C 3.5Å; Y347-G349 VanDerWaalsContact CZ-CA 3.49Å; Y347-G349 WeakPolarHBondContact OH-CA 3.42Å
350	D	89.3	Confident	89.3	Confident	158 Å²	158	53.5 Å²	53.5	85%	0.845	28%	0.277	S	S	*	.	S	Bend	trans	-96.1	-3.3	-171.7	-42.8	-72.4	0	0	0	114	A352	D350-A352 VanDerWaalsContact C-N 3.28Å; D350-A352 PolarHBondContact O-N 3.09Å
351	L	87.4	Confident	89.8	Confident	146 Å²	146	53.4 Å²	53.4	76%	0.764	28%	0.275	S	S	*	.	S	Bend	trans	-80.2	-6.5	-174.5	-55.2	174.8	0	0	0	113.7	Y347 I386	Y347-L351 WeakPolarHBondContact OH-CB 3.36Å; Y347-L351 PolarHBondContact OH-N 2.89Å; Y347-L351 VanDerWaalsContact OH-N 3.09Å; L351-I386 HydrophobicContact CB-CD1 3.94Å
352	A	88.7	Confident	89.9	Confident	32 Å²	32	53.7 Å²	53.7	26%	0.264	28%	0.276	S	S	.	.	S	Bend	trans	-157.1	166.9	177.3	0	0	0	0	0	110.7	Y347 D350 I386	Y347-A352 HydrophobicContact CD1-CB 4.24Å; Y347-A352 HydrophobicContact CE1-CB 3.81Å; D350-A352 VanDerWaalsContact C-N 3.28Å; D350-A352 PolarHBondContact O-N 3.09Å; A352-I386 HydrophobicContact CB-CD1 3.36Å
353	P	89.8	Confident	89.7	Confident	116 Å²	116	54.7 Å²	54.7	75%	0.753	28%	0.28	S	S	*	.			trans	-56.1	143.5	170.4	-24.8	35.2	0	0	0	112.5	W355	P353-W355 PolarHBondContact O-N 2.93Å
354	L	90.9	Very high	89.3	Confident	145 Å²	145	56.5 Å²	56.5	76%	0.759	29%	0.291	S	S	*	.			trans	-54.6	121.9	175.3	-66	175	0	0	0	110.7
355	W	93.4	Very high	88.4	Confident	41 Å²	41	58.4 Å²	58.4	16%	0.155	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.3	-173.9	174.9	90.3	0	0	0	112	W314 L345 R346 Y347 P353 G357 L376 G381 A382 P383 F390	W314-W355 AromaticContact CH2-CH2 3.93Å; W314-W355 HydrophobicContact CH2-CH2 3.93Å; W314-W355 HydrophobicContact CH2-CZ3 4.23Å; L345-W355 HydrophobicContact CB-CZ3 4.2Å; L345-W355 HydrophobicContact CD2-CH2 4.39Å; L345-W355 HydrophobicContact CD2-CZ3 4.03Å; L345-W355 HydrophobicContact CG-CZ3 4.04Å; L345-W355 WeakPolarHBondContact O-CZ3 3.19Å; R346-W355 CarbonylContact C-O 3.4Å; R346-W355 VanDerWaalsContact CA-O 3.23Å; R346-W355 WeakPolarHBondContact CA-O 3.32Å; Y347-W355 PolarHBondContact N-O 2.83Å; P353-W355 PolarHBondContact O-N 2.93Å; W355-G357 VanDerWaalsContact CH2-CA 3.47Å; W355-L376 HydrophobicContact CH2-CD1 3.78Å; W355-L376 HydrophobicContact CH2-CD2 4.25Å; W355-L376 HydrophobicContact CZ2-CD1 3.87Å; W355-G381 PolarHBondContact NE1-O 2.76Å; W355-G381 VanDerWaalsContact NE1-O 3.09Å; W355-A382 HydrophobicContact CZ2-CB 3.97Å; W355-P383 HydrophobicContact CB-CG 4.31Å; W355-P383 VanDerWaalsContact CD2-CD 3.42Å; W355-P383 HydrophobicContact CD2-CG 4.08Å; W355-P383 HydrophobicContact CE3-CG 4.06Å; W355-P383 HydrophobicContact CG-CG 4.2Å; W355-F390 HydrophobicContact CE3-CE1 4.45Å; W355-F390 HydrophobicContact CZ3-CE1 4.44Å
356	K	93	Very high	87.3	Confident	120 Å²	120	60.5 Å²	60.5	52%	0.522	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	120.8	176	179.8	-174.5	-176.3	-170.3	0	110.4	C344 L345 R346	C344-K356 WeakPolarHBondContact SG-CE 3.25Å; L345-K356 WeakPolarHBondContact O-CA 3.36Å; R346-K356 HydrophobicContact CG-CB 4.47Å; R346-K356 HydrophobicContact CG-CG 4.24Å
357	G	90.8	Very high	86.1	Confident	10 Å²	10	57.3 Å²	57.3	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.4	169.4	0	0	0	0	0	111.8	C344 L345 W355	C344-G357 CarbonylContact C-O 3.59Å; C344-G357 WeakPolarHBondContact CA-O 3.24Å; L345-G357 PolarHBondContact N-O 3.42Å; L345-G357 PolarHBondContact O-N 3Å; W355-G357 VanDerWaalsContact CH2-CA 3.47Å
358	I	90.8	Very high	84.6	Confident	53 Å²	53	63 Å²	63	27%	0.272	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.1	167.9	-61.8	175.2	0	0	0	107.6	E342 I343 C344 R377	E342-I358 HydrophobicContact CG-CG2 4.4Å; I343-I358 WeakPolarHBondContact O-CA 3.36Å; C344-I358 HydrophobicContact CB-CG1 4.46Å; I358-R377 WeakPolarHBondContact O-CB 3.34Å; I358-R377 WeakPolarHBondContact O-CG 3.41Å; I358-R377 PolarHBondContact O-N 3.44Å
359	G	88.9	Confident	83.5	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	165.2	174.4	0	0	0	0	0	112.7	E342 I343 E375	E342-G359 WeakPolarHBondContact CA-O 3.3Å; I343-G359 PolarHBondContact N-O 2.94Å; I343-G359 PolarHBondContact O-N 2.93Å; G359-E375 CarbonylContact C-O 3.54Å; G359-E375 WeakPolarHBondContact CA-O 3.33Å
360	H	87.8	Confident	82.7	Confident	33 Å²	33	60.9 Å²	60.9	15%	0.153	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.3	174.3	-46.1	102.2	0	0	0	109.7	D341 E342 I362 I374 E375 R377	D341-H360 CarbonylContact O-C 3.45Å; D341-H360 VanDerWaalsContact O-CA 3.31Å; D341-H360 WeakPolarHBondContact O-CA 3.33Å; E342-H360 WeakPolarHBondContact CG-CD2 3.47Å; E342-H360 IonicContact OE1-CD2 2.69Å; E342-H360 IonicContact OE1-NE2 3.98Å; E342-H360 PolarHBondContact OE1-NE2 3.22Å; H360-I362 PolarHBondContact O-N 3.15Å; H360-I374 CarbonylContact O-C 3.6Å; H360-I374 VanDerWaalsContact O-CA 3.26Å; H360-I374 WeakPolarHBondContact O-CA 3.34Å; H360-E375 PolarHBondContact N-O 2.83Å; H360-E375 PolarHBondContact O-N 3.22Å; H360-R377 VanDerWaalsContact CE1-CG 3.43Å; H360-R377 WeakPolarHBondContact CE1-CG 3.3Å; H360-R377 PolarHBondContact CE1-NE 2.89Å; H360-R377 PolarHBondContact NE2-NE 3.18Å; H360-R377 VanDerWaalsContact NE2-NE 3.16Å
361	V	87.1	Confident	82.4	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	118.5	179.1	179.1	0	0	0	0	110.5	L337 Q339 G340 D341 I343 K363 V364 I374	L337-V361 HydrophobicContact CD1-CG2 3.93Å; L337-V361 HydrophobicContact CD2-CG1 4.04Å; L337-V361 HydrophobicContact CD2-CG2 3.89Å; L337-V361 HydrophobicContact CG-CG1 4.24Å; L337-V361 HydrophobicContact CG-CG2 3.99Å; Q339-V361 CarbonylContact C-O 3.55Å; Q339-V361 VanDerWaalsContact CA-O 3.3Å; Q339-V361 WeakPolarHBondContact CA-O 2.9Å; G340-V361 PolarHBondContact N-O 3.23Å; D341-V361 HydrophobicContact CB-CG2 4.16Å; D341-V361 PolarHBondContact O-N 2.86Å; I343-V361 HydrophobicContact CD1-CG2 3.69Å; I343-V361 HydrophobicContact CG1-CG2 4.06Å; V361-K363 WeakPolarHBondContact CG1-O 3.17Å; V361-V364 HydrophobicContact CG1-CG1 3.72Å; V361-I374 HydrophobicContact CG2-CG2 4.12Å
362	I	85.8	Confident	82.5	Confident	47 Å²	47	49.6 Å²	49.6	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-33.5	173.7	59	171.3	0	0	0	111.7	I323 Q339 H360 A373 E375	I323-I362 HydrophobicContact CD1-CD1 3.87Å; I323-I362 HydrophobicContact CG1-CD1 4.13Å; I323-I362 HydrophobicContact CG2-CD1 4.06Å; Q339-I362 PolarHBondContact NE2-O 3.48Å; H360-I362 PolarHBondContact O-N 3.15Å; I362-A373 HydrophobicContact CD1-CB 4.38Å; I362-A373 HydrophobicContact CG1-CB 3.92Å; I362-A373 WeakPolarHBondContact CG1-O 3.33Å; I362-A373 PolarHBondContact N-O 3.09Å; I362-E375 HydrophobicContact CD1-CB 4.4Å; I362-E375 HydrophobicContact CG2-CB 3.85Å
363	K	82.8	Confident	82.5	Confident	41 Å²	41	48.1 Å²	48.1	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134	172.6	-172.2	-173.3	178.4	-59.5	0	110.7	V361 D366 G369 E371 I372 A373	V361-K363 WeakPolarHBondContact CG1-O 3.17Å; K363-D366 WeakPolarHBondContact CE-OD1 3.47Å; K363-D366 VanDerWaalsContact CE-OD2 3.22Å; K363-D366 WeakPolarHBondContact CE-OD2 3.38Å; K363-D366 IonicContact NZ-OD1 2.7Å; K363-D366 PolarHBondContact NZ-OD1 3.29Å; K363-D366 IonicContact NZ-OD2 3.2Å; K363-D366 PolarHBondContact NZ-OD2 2.71Å; K363-G369 PolarHBondContact NZ-O 3.39Å; K363-E371 PolarHBondContact NZ-O 2.96Å; K363-I372 WeakPolarHBondContact O-CA 3.32Å; K363-A373 HydrophobicContact CB-CB 3.65Å; K363-A373 PolarHBondContact N-O 3.15Å; K363-A373 PolarHBondContact O-N 2.99Å
364	V	79.7	Confident	82.6	Confident	38 Å²	38	42.6 Å²	42.6	23%	0.23	22%	0.215	C	C	.	.			trans	-104.5	164.2	169.5	-65.4	0	0	0	0	110.1	L337 Q339 V361 D366	L337-V364 HydrophobicContact CG-CG1 4.41Å; L337-V364 WeakPolarHBondContact O-CG1 3.5Å; Q339-V364 HydrophobicContact CG-CG1 4.25Å; V361-V364 HydrophobicContact CG1-CG1 3.72Å; V364-D366 PolarHBondContact O-N 2.9Å
365	P	73.1	Confident	82.6	Confident	45 Å²	45	36.2 Å²	36.2	29%	0.292	18%	0.181	S	C	.	.	S	Bend	trans	-57.6	127	173.8	-24.7	36.9	0	0	0	110.6	I372	P365-I372 HydrophobicContact CG-CD1 4.19Å; P365-I372 HydrophobicContact CG-CG1 3.83Å
366	D	70.6	Confident	82.4	Confident	45 Å²	45	34.3 Å²	34.3	24%	0.241	17%	0.174	C	C	.	.			trans	-142.9	-168.1	-170.8	65.4	9.8	0	0	0	111.2	K363 V364 Y368 G369	K363-D366 WeakPolarHBondContact CE-OD1 3.47Å; K363-D366 VanDerWaalsContact CE-OD2 3.22Å; K363-D366 WeakPolarHBondContact CE-OD2 3.38Å; K363-D366 IonicContact NZ-OD1 2.7Å; K363-D366 PolarHBondContact NZ-OD1 3.29Å; K363-D366 IonicContact NZ-OD2 3.2Å; K363-D366 PolarHBondContact NZ-OD2 2.71Å; V364-D366 PolarHBondContact O-N 2.9Å; D366-Y368 PolarHBondContact O-N 3.44Å; D366-Y368 WeakPolarHBondContact OD1-CA 3.16Å; D366-Y368 WeakPolarHBondContact OD1-CB 3.35Å; D366-Y368 PolarHBondContact OD1-N 3.4Å; D366-G369 PolarHBondContact N-O 3.05Å; D366-G369 VanDerWaalsContact N-O 3.15Å; D366-G369 PolarHBondContact OD1-N 3.28Å
367	N	66.9	Low	81.9	Confident	22 Å²	22	35.4 Å²	35.4	12%	0.118	18%	0.175	C	C	.	.	S	Bend	trans	-70	-18.7	177.6	-63.9	-13.2	0	0	0	114.1	Q789 Q800 V802 I804	N367-Q789 PolarHBondContact O-NE2 3.03Å; N367-Q800 WeakPolarHBondContact CB-O 3.5Å; N367-Q800 PolarHBondContact ND2-O 2.6Å; N367-V802 PolarHBondContact ND2-O 2.9Å; N367-I804 PolarHBondContact OD1-N 2.77Å
368	Y	63	Low	81.5	Confident	123 Å²	123	37.5 Å²	37.5	48%	0.482	19%	0.188	S	C	.	.	S	Bend	trans	-88	-30.4	-177.8	-63.7	-80	0	0	0	111.1	D366 Q800	D366-Y368 PolarHBondContact O-N 3.44Å; D366-Y368 WeakPolarHBondContact OD1-CA 3.16Å; D366-Y368 WeakPolarHBondContact OD1-CB 3.35Å; D366-Y368 PolarHBondContact OD1-N 3.4Å; Y368-Q800 HydrophobicContact CD1-CB 3.73Å; Y368-Q800 HydrophobicContact CD1-CG 4.28Å; Y368-Q800 HydrophobicContact CE1-CB 3.65Å
369	G	65.7	Low	80.8	Confident	19 Å²	19	37.2 Å²	37.2	20%	0.196	19%	0.191	C	C	.	.			trans	177.4	162.4	167.3	0	0	0	0	0	113.9	K363 D366 E371	K363-G369 PolarHBondContact NZ-O 3.39Å; D366-G369 PolarHBondContact N-O 3.05Å; D366-G369 VanDerWaalsContact N-O 3.15Å; D366-G369 PolarHBondContact OD1-N 3.28Å; G369-E371 PolarHBondContact O-N 3.42Å
370	D	72.1	Confident	80.3	Confident	44 Å²	44	42.9 Å²	42.9	24%	0.235	23%	0.225	C	C	.	.	S	Bend	trans	-73.1	-3.6	175.5	-67.2	-54.9	0	0	0	113.4	T327 K330 I372	T327-D370 HydrophobicContact CG2-CB 4.18Å; K330-D370 WeakPolarHBondContact CE-OD2 3.43Å; K330-D370 IonicContact NZ-OD1 3.02Å; K330-D370 IonicContact NZ-OD2 3.33Å; K330-D370 PolarHBondContact NZ-OD2 3.25Å; D370-I372 PolarHBondContact O-N 2.83Å
371	E	82.5	Confident	80	Confident	60 Å²	60	44.2 Å²	44.2	28%	0.28	25%	0.247	S	C	.	.			trans	-60.2	127.5	173	-76.6	-166.5	154.4	0	0	111.5	R313 Y325 K363 G369	R313-E371 IonicContact CZ-OE1 3.85Å; R313-E371 IonicContact CZ-OE2 2.85Å; R313-E371 IonicContact NE-OE1 2.81Å; R313-E371 PolarHBondContact NE-OE1 3.12Å; R313-E371 VanDerWaalsContact NE-OE1 3.11Å; R313-E371 IonicContact NE-OE2 3.97Å; R313-E371 IonicContact NH2-OE1 2.74Å; R313-E371 PolarHBondContact NH2-OE1 2.98Å; R313-E371 IonicContact NH2-OE2 3.93Å; R313-E371 PolarHBondContact NH2-OE2 2.77Å; Y325-E371 VanDerWaalsContact CD1-OE2 3.28Å; Y325-E371 WeakPolarHBondContact CD1-OE2 3.37Å; K363-E371 PolarHBondContact NZ-O 2.96Å; G369-E371 PolarHBondContact O-N 3.42Å
372	I	88.3	Confident	80.1	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	142.7	160	-71.1	155.9	0	0	0	107.9	Y325 F326 L328 L337 I343 K363 P365 D370 I374	Y325-I372 CarbonylContact C-O 3.6Å; Y325-I372 VanDerWaalsContact CA-O 3.31Å; Y325-I372 WeakPolarHBondContact CA-O 3.38Å; F326-I372 HydrophobicContact CD2-CB 4.26Å; F326-I372 HydrophobicContact CD2-CG2 4.48Å; F326-I372 HydrophobicContact CE1-CG2 4.41Å; F326-I372 HydrophobicContact CE2-CB 3.93Å; F326-I372 HydrophobicContact CE2-CD1 4.3Å; F326-I372 HydrophobicContact CE2-CG2 3.73Å; F326-I372 HydrophobicContact CZ-CB 4.34Å; F326-I372 HydrophobicContact CZ-CG2 3.69Å; F326-I372 PolarHBondContact N-O 2.89Å; F326-I372 PolarHBondContact O-N 3.33Å; L328-I372 HydrophobicContact CB-CD1 4.33Å; L328-I372 HydrophobicContact CD1-CD1 3.67Å; L328-I372 HydrophobicContact CG-CD1 3.79Å; L337-I372 HydrophobicContact CD2-CD1 3.79Å; L337-I372 HydrophobicContact CD2-CG1 3.94Å; L337-I372 HydrophobicContact CD2-CG2 4Å; I343-I372 HydrophobicContact CD1-CG2 4.45Å; K363-I372 WeakPolarHBondContact O-CA 3.32Å; P365-I372 HydrophobicContact CG-CD1 4.19Å; P365-I372 HydrophobicContact CG-CG1 3.83Å; D370-I372 PolarHBondContact O-N 2.83Å; I372-I374 HydrophobicContact CG2-CG2 4.27Å
373	A	89.8	Confident	80.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.1	172	0	0	0	0	0	110.7	I323 A324 Y325 I362 K363	I323-A373 HydrophobicContact CG2-CB 4.18Å; A324-A373 WeakPolarHBondContact O-CA 3.47Å; Y325-A373 HydrophobicContact CD1-CB 3.43Å; Y325-A373 VanDerWaalsContact CD1-CB 3.43Å; Y325-A373 HydrophobicContact CE1-CB 3.46Å; Y325-A373 VanDerWaalsContact CE1-CB 3.46Å; Y325-A373 HydrophobicContact CG-CB 4.03Å; I362-A373 HydrophobicContact CD1-CB 4.38Å; I362-A373 HydrophobicContact CG1-CB 3.92Å; I362-A373 WeakPolarHBondContact CG1-O 3.33Å; I362-A373 PolarHBondContact N-O 3.09Å; K363-A373 HydrophobicContact CB-CB 3.65Å; K363-A373 PolarHBondContact N-O 3.15Å; K363-A373 PolarHBondContact O-N 2.99Å
374	I	91.9	Very high	80.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.7	173.9	71.6	176.8	0	0	0	111.1	I323 A324 F326 I343 L345 H360 V361 I372 L376	I323-I374 WeakPolarHBondContact CA-O 3.38Å; A324-I374 HydrophobicContact CB-CD1 4.49Å; A324-I374 HydrophobicContact CB-CG1 3.93Å; A324-I374 PolarHBondContact N-O 3.02Å; A324-I374 PolarHBondContact O-N 3.34Å; F326-I374 HydrophobicContact CE1-CD1 3.99Å; F326-I374 HydrophobicContact CE1-CG1 4.04Å; F326-I374 HydrophobicContact CE1-CG2 3.97Å; F326-I374 HydrophobicContact CZ-CG2 3.98Å; I343-I374 HydrophobicContact CB-CD1 4.38Å; I343-I374 HydrophobicContact CB-CG2 4.19Å; I343-I374 HydrophobicContact CD1-CG2 4.01Å; I343-I374 HydrophobicContact CG2-CD1 4.06Å; L345-I374 HydrophobicContact CB-CD1 4.06Å; L345-I374 HydrophobicContact CD2-CD1 4.42Å; H360-I374 CarbonylContact O-C 3.6Å; H360-I374 VanDerWaalsContact O-CA 3.26Å; H360-I374 WeakPolarHBondContact O-CA 3.34Å; V361-I374 HydrophobicContact CG2-CG2 4.12Å; I372-I374 HydrophobicContact CG2-CG2 4.27Å; I374-L376 HydrophobicContact CD1-CD2 4.12Å; I374-L376 HydrophobicContact CG1-CD2 4.42Å
375	E	90.1	Very high	81.2	Confident	10 Å²	10	50 Å²	50	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.5	167.2	-176.1	-169.4	91.4	0	0	108.6	N319 K321 G359 H360 I362	N319-E375 PolarHBondContact ND2-OE2 3.33Å; K321-E375 HydrophobicContact CB-CG 3.94Å; K321-E375 HydrophobicContact CD-CG 3.66Å; K321-E375 VanDerWaalsContact CD-OE1 3.23Å; K321-E375 WeakPolarHBondContact CD-OE1 3.31Å; K321-E375 VanDerWaalsContact CD-OE2 3.32Å; K321-E375 WeakPolarHBondContact CD-OE2 3.46Å; K321-E375 IonicContact NZ-OE1 2.62Å; K321-E375 PolarHBondContact NZ-OE1 3.17Å; K321-E375 IonicContact NZ-OE2 2.73Å; K321-E375 PolarHBondContact NZ-OE2 2.82Å; G359-E375 CarbonylContact C-O 3.54Å; G359-E375 WeakPolarHBondContact CA-O 3.33Å; H360-E375 PolarHBondContact N-O 2.83Å; H360-E375 PolarHBondContact O-N 3.22Å; I362-E375 HydrophobicContact CD1-CB 4.4Å; I362-E375 HydrophobicContact CG2-CB 3.85Å
376	L	89.2	Confident	82	Confident	2 Å²	2	49 Å²	49	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.6	177.4	-65.9	-172.6	0	0	0	111.9	W314 R322 W355 I374 S378 A382	W314-L376 HydrophobicContact CH2-CD1 4.09Å; W314-L376 HydrophobicContact CZ3-CD1 3.75Å; W314-L376 HydrophobicContact CZ3-CG 4.46Å; R322-L376 HydrophobicContact CB-CD1 4.25Å; R322-L376 HydrophobicContact CG-CD1 3.98Å; R322-L376 PolarHBondContact O-N 2.73Å; W355-L376 HydrophobicContact CH2-CD1 3.78Å; W355-L376 HydrophobicContact CH2-CD2 4.25Å; W355-L376 HydrophobicContact CZ2-CD1 3.87Å; I374-L376 HydrophobicContact CD1-CD2 4.12Å; I374-L376 HydrophobicContact CG1-CD2 4.42Å; L376-S378 VanDerWaalsContact C-N 3.27Å; L376-S378 WeakPolarHBondContact CB-O 3.47Å; L376-S378 PolarHBondContact O-N 3.06Å; L376-A382 HydrophobicContact CD1-CB 3.97Å
377	R	83.4	Confident	82.8	Confident	142 Å²	142	49.4 Å²	49.4	54%	0.536	28%	0.275	S	S	.	.	S	Bend	trans	-64.5	-28.4	174.1	-77.8	-179.2	171.6	-178.7	0.7	114	E342 I358 H360	E342-R377 IonicContact OE1-CZ 3.52Å; E342-R377 IonicContact OE1-NH2 2.72Å; E342-R377 PolarHBondContact OE1-NH2 3.46Å; E342-R377 IonicContact OE2-CZ 3.29Å; E342-R377 IonicContact OE2-NH1 2.85Å; E342-R377 IonicContact OE2-NH2 3.14Å; E342-R377 PolarHBondContact OE2-NH2 3.27Å; I358-R377 WeakPolarHBondContact O-CB 3.34Å; I358-R377 WeakPolarHBondContact O-CG 3.41Å; I358-R377 PolarHBondContact O-N 3.44Å; H360-R377 VanDerWaalsContact CE1-CG 3.43Å; H360-R377 WeakPolarHBondContact CE1-CG 3.3Å; H360-R377 PolarHBondContact CE1-NE 2.89Å; H360-R377 PolarHBondContact NE2-NE 3.18Å; H360-R377 VanDerWaalsContact NE2-NE 3.16Å
378	S	81.6	Confident	84	Confident	54 Å²	54	53.2 Å²	53.2	38%	0.378	29%	0.292	S	S	.	.			trans	-137.9	137.2	171.3	-179.8	0	0	0	0	109	L376 V380	L376-S378 VanDerWaalsContact C-N 3.27Å; L376-S378 WeakPolarHBondContact CB-O 3.47Å; L376-S378 PolarHBondContact O-N 3.06Å; S378-V380 VanDerWaalsContact C-N 3.3Å; S378-V380 PolarHBondContact OG-N 2.87Å
379	S	75.9	Confident	85.3	Confident	48 Å²	48	50.7 Å²	50.7	34%	0.336	29%	0.287	S	S	.	.			trans	-81.2	-10.1	174.9	-59.1	0	0	0	0	112.9	R322	R322-S379 PolarHBondContact N-OG 2.96Å
380	V	79.4	Confident	86.6	Confident	119 Å²	119	49.9 Å²	49.9	72%	0.721	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	132.8	-170.9	-175.5	0	0	0	0	111	S378 A382	S378-V380 VanDerWaalsContact C-N 3.3Å; S378-V380 PolarHBondContact OG-N 2.87Å; V380-A382 PolarHBondContact O-N 3.08Å
381	G	81.5	Confident	87.4	Confident	60 Å²	60	48.7 Å²	48.7	62%	0.619	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	10.4	174.2	0	0	0	0	0	115.8	W355	W355-G381 PolarHBondContact NE1-O 2.76Å; W355-G381 VanDerWaalsContact NE1-O 3.09Å
382	A	88.8	Confident	87.7	Confident	13 Å²	13	45.8 Å²	45.8	11%	0.107	26%	0.258	C	S	.	.			trans	-66.1	131.8	173.3	0	0	0	0	0	110.7	W314 R322 W355 L376 V380 V384	W314-A382 HydrophobicContact CH2-CB 4.05Å; W314-A382 HydrophobicContact CZ3-CB 4.17Å; R322-A382 HydrophobicContact CG-CB 4.13Å; W355-A382 HydrophobicContact CZ2-CB 3.97Å; L376-A382 HydrophobicContact CD1-CB 3.97Å; V380-A382 PolarHBondContact O-N 3.08Å; A382-V384 VanDerWaalsContact C-N 3.26Å; A382-V384 HydrophobicContact CB-CG1 4.3Å; A382-V384 PolarHBondContact O-N 3.34Å
383	P	91.6	Very high	87.6	Confident	19 Å²	19	46.3 Å²	46.3	12%	0.123	26%	0.26	C	S	.	.			trans	-78.1	71.7	-176.9	31.5	-35.8	0	0	0	111.5	W314 W355 E385 I386 F390	W314-P383 HydrophobicContact CZ2-CG 4.28Å; W314-P383 PolarHBondContact NE1-O 3Å; W314-P383 VanDerWaalsContact NE1-O 3.1Å; W355-P383 HydrophobicContact CB-CG 4.31Å; W355-P383 VanDerWaalsContact CD2-CD 3.42Å; W355-P383 HydrophobicContact CD2-CG 4.08Å; W355-P383 HydrophobicContact CE3-CG 4.06Å; W355-P383 HydrophobicContact CG-CG 4.2Å; P383-E385 VanDerWaalsContact C-N 3.34Å; P383-E385 PolarHBondContact O-N 3.03Å; P383-I386 PolarHBondContact O-N 2.87Å; P383-F390 HydrophobicContact CG-CE1 3.88Å; P383-F390 HydrophobicContact CG-CZ 3.94Å
384	V	91.1	Very high	87.3	Confident	44 Å²	44	47.4 Å²	47.4	27%	0.267	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.1	-172	-66.4	0	0	0	0	114.7	W314 R322 A382 I386	W314-V384 HydrophobicContact CB-CB 4.42Å; W314-V384 HydrophobicContact CB-CG1 4.4Å; W314-V384 HydrophobicContact CD2-CG1 4.14Å; W314-V384 HydrophobicContact CE3-CG1 4.36Å; W314-V384 HydrophobicContact CG-CB 4.23Å; W314-V384 HydrophobicContact CG-CG1 4.19Å; R322-V384 HydrophobicContact CG-CG1 4.48Å; A382-V384 VanDerWaalsContact C-N 3.26Å; A382-V384 HydrophobicContact CB-CG1 4.3Å; A382-V384 PolarHBondContact O-N 3.34Å; V384-I386 PolarHBondContact O-N 2.96Å
385	E	88.4	Confident	86.8	Confident	174 Å²	174	49.7 Å²	49.7	81%	0.813	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.5	179	-50.2	-53.9	146.9	0	0	112.9	P383	P383-E385 VanDerWaalsContact C-N 3.34Å; P383-E385 PolarHBondContact O-N 3.03Å
386	I	89.4	Confident	86.5	Confident	22 Å²	22	51.9 Å²	51.9	11%	0.113	29%	0.287	C	S	.	.			trans	-113.2	122.5	-173.7	-61	167.5	0	0	0	109.5	W314 Y347 L351 A352 P383 V384 F390	W314-I386 PolarHBondContact NE1-O 2.87Å; W314-I386 VanDerWaalsContact NE1-O 3.17Å; Y347-I386 HydrophobicContact CD2-CG2 4.28Å; Y347-I386 HydrophobicContact CE1-CD1 4.39Å; Y347-I386 HydrophobicContact CE2-CB 4.48Å; Y347-I386 HydrophobicContact CE2-CG2 3.51Å; L351-I386 HydrophobicContact CB-CD1 3.94Å; A352-I386 HydrophobicContact CB-CD1 3.36Å; P383-I386 PolarHBondContact O-N 2.87Å; V384-I386 PolarHBondContact O-N 2.96Å; I386-F390 HydrophobicContact CG2-CE2 4.44Å; I386-F390 VanDerWaalsContact O-CE2 3.23Å; I386-F390 WeakPolarHBondContact O-CE2 3.43Å; I386-F390 WeakPolarHBondContact O-CZ 3.11Å
387	P	88.8	Confident	86.3	Confident	54 Å²	54	55 Å²	55	35%	0.351	30%	0.3	S	S	.	.			trans	-97.3	-19.3	178.7	34.7	-33.5	0	0	0	114.4	T311 V312	T311-P387 CarbonylContact C-O 3.44Å; T311-P387 WeakPolarHBondContact CA-O 3.38Å; T311-P387 HydrophobicContact CG2-CB 4.41Å; T311-P387 WeakPolarHBondContact CG2-O 3.24Å; V312-P387 PolarHBondContact N-O 2.99Å; V312-P387 WeakPolarHBondContact O-CA 3.35Å; V312-P387 WeakPolarHBondContact O-CB 3.49Å
388	H	91.4	Very high	86.6	Confident	103 Å²	103	50.1 Å²	50.1	48%	0.477	29%	0.288	S	S	.	.	S	Bend	trans	-108.4	172.9	-170.7	-57.9	-54.9	0	0	0	113.9	T311 Y347 F390	T311-H388 WeakPolarHBondContact CG2-ND1 3.37Å; T311-H388 PolarHBondContact OG1-ND1 2.94Å; Y347-H388 WeakPolarHBondContact CE2-O 3.36Å; H388-F390 WeakPolarHBondContact O-CD2 3.33Å; H388-F390 WeakPolarHBondContact O-CE2 3.44Å; H388-F390 PolarHBondContact O-N 3.08Å
389	N	90.4	Very high	87	Confident	70 Å²	70	50.5 Å²	50.5	37%	0.374	29%	0.288	S	S	.	.	S	Bend	trans	57.5	41.3	175.2	-60.9	-1.8	0	0	0	114.7	Y347 K348	Y347-N389 HydrophobicContact CE2-CB 4.32Å; K348-N389 PolarHBondContact N-O 3.05Å
390	F	93.2	Very high	87.8	Confident	1 Å²	1	50 Å²	50	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	151.4	167.5	-68.6	-93.9	0	0	0	112.2	N309 I310 V312 W314 L345 R346 Y347 W355 P383 I386 H388	N309-F390 PolarHBondContact N-O 3.5Å; N309-F390 VanDerWaalsContact N-O 3.14Å; I310-F390 HydrophobicContact CB-CB 4.33Å; I310-F390 PolarHBondContact N-O 3.14Å; I310-F390 PolarHBondContact O-N 3.04Å; I310-F390 VanDerWaalsContact O-N 3.09Å; V312-F390 HydrophobicContact CB-CD2 3.94Å; V312-F390 HydrophobicContact CB-CE2 4.06Å; V312-F390 HydrophobicContact CB-CG 4.4Å; V312-F390 HydrophobicContact CG2-CB 3.87Å; V312-F390 HydrophobicContact CG2-CD1 4.15Å; V312-F390 HydrophobicContact CG2-CD2 3.54Å; V312-F390 HydrophobicContact CG2-CE2 4.12Å; V312-F390 HydrophobicContact CG2-CG 3.57Å; W314-F390 AromaticContact CZ2-CE1 3.87Å; W314-F390 HydrophobicContact CZ2-CE1 3.87Å; W314-F390 AromaticContact CZ2-CZ 3.86Å; W314-F390 HydrophobicContact CZ2-CZ 3.86Å; L345-F390 HydrophobicContact CD1-CB 3.93Å; L345-F390 HydrophobicContact CD1-CD1 4.01Å; L345-F390 HydrophobicContact CD1-CG 4.26Å; L345-F390 HydrophobicContact CD2-CD1 4.18Å; L345-F390 HydrophobicContact CD2-CE1 4.47Å; L345-F390 HydrophobicContact CG-CD1 3.89Å; R346-F390 CarbonylContact O-C 3.33Å; R346-F390 WeakPolarHBondContact O-CA 3.43Å; R346-F390 WeakPolarHBondContact O-CB 3.44Å; R346-F390 VanDerWaalsContact O-CD1 3.32Å; R346-F390 WeakPolarHBondContact O-CD1 3.33Å; Y347-F390 HydrophobicContact CD2-CD1 4.35Å; Y347-F390 HydrophobicContact CD2-CD2 4.42Å; Y347-F390 HydrophobicContact CD2-CE1 4.04Å; Y347-F390 HydrophobicContact CD2-CE2 4.1Å; Y347-F390 AromaticContact CD2-CZ 3.9Å; Y347-F390 HydrophobicContact CD2-CZ 3.9Å; Y347-F390 HydrophobicContact CG-CE1 4.41Å; W355-F390 HydrophobicContact CE3-CE1 4.45Å; W355-F390 HydrophobicContact CZ3-CE1 4.44Å; P383-F390 HydrophobicContact CG-CE1 3.88Å; P383-F390 HydrophobicContact CG-CZ 3.94Å; I386-F390 HydrophobicContact CG2-CE2 4.44Å; I386-F390 VanDerWaalsContact O-CE2 3.23Å; I386-F390 WeakPolarHBondContact O-CE2 3.43Å; I386-F390 WeakPolarHBondContact O-CZ 3.11Å; H388-F390 WeakPolarHBondContact O-CD2 3.33Å; H388-F390 WeakPolarHBondContact O-CE2 3.44Å; H388-F390 PolarHBondContact O-N 3.08Å
391	Q	89.4	Confident	88.6	Confident	19 Å²	19	45.4 Å²	45.4	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.8	166.7	-179	-178.2	53.7	0	0	109.2	T306 Q307 D308 R346 K348	T306-Q391 HydrophobicContact CG2-CG 3.65Å; Q307-Q391 CarbonylContact O-C 3.54Å; Q307-Q391 VanDerWaalsContact O-CA 3.32Å; Q307-Q391 WeakPolarHBondContact O-CA 3.38Å; D308-Q391 WeakPolarHBondContact OD1-CB 3.34Å; D308-Q391 VanDerWaalsContact OD1-CG 3.3Å; D308-Q391 WeakPolarHBondContact OD1-CG 3.43Å; D308-Q391 PolarHBondContact OD1-NE2 2.82Å; D308-Q391 PolarHBondContact OD2-NE2 3.46Å; R346-Q391 HydrophobicContact CB-CB 4.33Å; R346-Q391 PolarHBondContact N-O 2.97Å; R346-Q391 PolarHBondContact O-N 3.03Å; K348-Q391 HydrophobicContact CD-CB 4.11Å; K348-Q391 VanDerWaalsContact CE-CD 3.46Å; K348-Q391 HydrophobicContact CG-CB 4.5Å; K348-Q391 VanDerWaalsContact NZ-CD 3.26Å
392	V	89.2	Confident	89.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.1	175.3	170.4	0	0	0	0	109	T306 Q307 I310 F326 L328 I343 L345	T306-V392 WeakPolarHBondContact CA-O 3.42Å; Q307-V392 PolarHBondContact N-O 3.48Å; Q307-V392 PolarHBondContact O-N 2.9Å; I310-V392 HydrophobicContact CB-CG2 4.23Å; I310-V392 HydrophobicContact CG1-CB 4.32Å; I310-V392 HydrophobicContact CG1-CG2 3.92Å; I310-V392 HydrophobicContact CG2-CG2 4.07Å; F326-V392 HydrophobicContact CD2-CG2 4.16Å; F326-V392 HydrophobicContact CE1-CG2 4.46Å; F326-V392 HydrophobicContact CE2-CG1 4.12Å; F326-V392 HydrophobicContact CE2-CG2 3.92Å; F326-V392 HydrophobicContact CZ-CG1 4.29Å; F326-V392 HydrophobicContact CZ-CG2 4.08Å; L328-V392 HydrophobicContact CD1-CG1 4.37Å; L328-V392 HydrophobicContact CD2-CB 4.07Å; L328-V392 HydrophobicContact CD2-CG1 4.04Å; L328-V392 HydrophobicContact CD2-CG2 4.13Å; I343-V392 HydrophobicContact CG2-CG1 3.77Å; L345-V392 HydrophobicContact CD1-CG2 3.7Å
393	D	85.1	Confident	89.7	Confident	18 Å²	18	48.1 Å²	48.1	10%	0.096	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.6	170	-64.5	-30.6	0	0	0	110.4	T306 C344 R346	T306-D393 WeakPolarHBondContact CB-OD1 3.47Å; T306-D393 WeakPolarHBondContact CG2-OD1 3.27Å; T306-D393 PolarHBondContact OG1-OD1 2.85Å; C344-D393 HydrophobicContact CB-CB 3.99Å; C344-D393 PolarHBondContact N-O 2.84Å; C344-D393 PolarHBondContact O-N 2.66Å; R346-D393 IonicContact CZ-OD2 3.64Å; R346-D393 IonicContact NE-OD2 2.83Å; R346-D393 PolarHBondContact NE-OD2 2.87Å; R346-D393 IonicContact NH2-OD2 3.69Å; R346-D393 PolarHBondContact NH2-OD2 3.04Å
394	F	82.9	Confident	90	Very high	23 Å²	23	48 Å²	48	10%	0.101	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.3	170.4	-64.5	-87.1	0	0	0	110	Q305 L328 M335 L337 I343 W396	Q305-F394 HydrophobicContact CB-CD2 3.58Å; Q305-F394 HydrophobicContact CB-CE2 3.68Å; Q305-F394 WeakPolarHBondContact O-CE2 3.4Å; L328-F394 HydrophobicContact CD1-CE1 4.25Å; L328-F394 HydrophobicContact CD1-CE2 4.3Å; L328-F394 HydrophobicContact CD1-CZ 3.51Å; M335-F394 HydrophobicContact CE-CB 4.36Å; M335-F394 HydrophobicContact CE-CD1 3.37Å; M335-F394 HydrophobicContact CE-CD2 4.15Å; M335-F394 HydrophobicContact CE-CE1 3.49Å; M335-F394 VanDerWaalsContact CE-CE1 3.49Å; M335-F394 HydrophobicContact CE-CE2 4.25Å; M335-F394 HydrophobicContact CE-CG 3.7Å; M335-F394 HydrophobicContact CE-CZ 3.92Å; L337-F394 HydrophobicContact CD1-CD1 4.14Å; L337-F394 HydrophobicContact CD1-CE1 3.94Å; I343-F394 HydrophobicContact CD1-CE1 4.42Å; I343-F394 HydrophobicContact CG1-CD1 4.43Å; F394-W396 PolarHBondContact O-N 3.46Å; F394-W396 VanDerWaalsContact O-N 3.15Å
395	V	82.6	Confident	90.1	Very high	49 Å²	49	48.6 Å²	48.6	30%	0.297	25%	0.248	S	C	.	.			trans	-81.3	101	-178.6	-175.8	0	0	0	0	109.2	E342 C344	E342-V395 HydrophobicContact CB-CB 3.87Å; E342-V395 HydrophobicContact CB-CG1 4.38Å; E342-V395 HydrophobicContact CB-CG2 4.23Å; E342-V395 WeakPolarHBondContact O-CB 3.37Å; E342-V395 PolarHBondContact O-N 2.95Å; C344-V395 HydrophobicContact CB-CG2 3.71Å
396	W	84.3	Confident	90.5	Very high	55 Å²	55	43.6 Å²	43.6	21%	0.208	23%	0.232	C	C	.	.			trans	-62	146.8	169.9	-174.5	75.1	0	0	0	111.3	A295 D298 K299 K302 F394 S398 F401	A295-W396 HydrophobicContact CB-CZ2 4.3Å; A295-W396 WeakPolarHBondContact O-CZ2 3.23Å; D298-W396 PolarHBondContact OD2-NE1 2.84Å; K299-W396 HydrophobicContact CB-CD2 3.72Å; K299-W396 HydrophobicContact CB-CE3 4.16Å; K299-W396 HydrophobicContact CB-CG 4.06Å; K299-W396 HydrophobicContact CB-CH2 4.33Å; K299-W396 HydrophobicContact CB-CZ2 3.95Å; K299-W396 HydrophobicContact CB-CZ3 4.44Å; K299-W396 HydrophobicContact CD-CD2 4.31Å; K299-W396 HydrophobicContact CD-CE3 3.89Å; K299-W396 HydrophobicContact CD-CH2 4.35Å; K299-W396 HydrophobicContact CD-CZ3 3.9Å; K299-W396 HydrophobicContact CG-CD2 3.71Å; K299-W396 HydrophobicContact CG-CE3 3.78Å; K299-W396 HydrophobicContact CG-CG 4.04Å; K299-W396 HydrophobicContact CG-CZ3 4.22Å; K302-W396 HydrophobicContact CB-CB 4.19Å; K302-W396 HydrophobicContact CD-CB 4.46Å; F394-W396 PolarHBondContact O-N 3.46Å; F394-W396 VanDerWaalsContact O-N 3.15Å; W396-S398 VanDerWaalsContact CH2-CA 3.5Å; W396-S398 VanDerWaalsContact CH2-CB 3.48Å; W396-F401 AromaticContact CZ2-CD2 3.93Å; W396-F401 HydrophobicContact CZ2-CD2 3.93Å; W396-F401 HydrophobicContact CZ2-CE2 4.21Å
397	K	83.4	Confident	90.8	Very high	69 Å²	69	42.7 Å²	42.7	30%	0.3	23%	0.228	S	C	.	.			trans	-136.8	120.1	177.4	-70.1	177.5	178.3	172.2	0	109.4	E342 T399	E342-K397 VanDerWaalsContact OE1-CE 3.27Å; E342-K397 WeakPolarHBondContact OE1-CE 3.49Å; E342-K397 IonicContact OE1-NZ 3.48Å; E342-K397 PolarHBondContact OE1-NZ 2.82Å; E342-K397 WeakPolarHBondContact OE2-CE 3.43Å; E342-K397 IonicContact OE2-NZ 3.22Å; K397-T399 PolarHBondContact O-N 2.91Å
398	S	89.6	Confident	90.9	Very high	38 Å²	38	40.1 Å²	40.1	27%	0.266	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.9	172.1	56.4	0	0	0	0	113.9	W396 S400 F401 D402	W396-S398 VanDerWaalsContact CH2-CA 3.5Å; W396-S398 VanDerWaalsContact CH2-CB 3.48Å; S398-S400 VanDerWaalsContact C-N 3.27Å; S398-S400 PolarHBondContact O-N 2.98Å; S398-F401 CarbonylContact O-C 3.58Å; S398-F401 WeakPolarHBondContact O-CA 3.3Å; S398-F401 WeakPolarHBondContact O-CB 3.31Å; S398-F401 PolarHBondContact O-N 3.23Å; S398-D402 WeakPolarHBondContact CB-OD1 3Å; S398-D402 WeakPolarHBondContact CB-OD2 3.43Å; S398-D402 VanDerWaalsContact O-CG 3.29Å; S398-D402 PolarHBondContact O-N 2.85Å; S398-D402 PolarHBondContact OG-OD1 3.41Å; S398-D402 PolarHBondContact OG-OD2 3.14Å
399	T	91.4	Very high	90.8	Very high	62 Å²	62	41.1 Å²	41.1	38%	0.38	21%	0.214	S	C	.	.	H	α-helix	trans	-54.9	-29.5	-162.6	-49.4	0	0	0	0	116.2	K397 D402 R403	K397-T399 PolarHBondContact O-N 2.91Å; T399-D402 WeakPolarHBondContact CA-OD2 3.41Å; T399-D402 PolarHBondContact N-OD2 3.13Å; T399-R403 WeakPolarHBondContact O-CD 3.33Å; T399-R403 WeakPolarHBondContact O-CG 3.12Å; T399-R403 PolarHBondContact O-N 3.1Å
400	S	93.1	Very high	90.7	Very high	39 Å²	39	39.8 Å²	39.8	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-69.1	-51.8	171.5	41.2	0	0	0	0	111.3	S398 R403 M404	S398-S400 VanDerWaalsContact C-N 3.27Å; S398-S400 PolarHBondContact O-N 2.98Å; S400-R403 PolarHBondContact O-N 2.88Å; S400-M404 WeakPolarHBondContact O-CG 3.16Å; S400-M404 PolarHBondContact O-N 2.93Å
401	F	95.3	Very high	90.6	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-41.5	178.4	-52.7	-75.9	0	0	0	111.9	V291 E294 A295 D298 W396 S398 R403 M404 Q405	V291-F401 HydrophobicContact CG1-CB 4.31Å; V291-F401 HydrophobicContact CG1-CD1 4.2Å; E294-F401 HydrophobicContact CB-CE1 4.16Å; E294-F401 HydrophobicContact CG-CE1 3.77Å; E294-F401 HydrophobicContact CG-CZ 4.31Å; A295-F401 HydrophobicContact CB-CB 3.75Å; A295-F401 HydrophobicContact CB-CD1 3.62Å; A295-F401 HydrophobicContact CB-CD2 3.79Å; A295-F401 HydrophobicContact CB-CE1 4.14Å; A295-F401 HydrophobicContact CB-CE2 4.28Å; A295-F401 HydrophobicContact CB-CG 3.42Å; A295-F401 VanDerWaalsContact CB-CG 3.42Å; A295-F401 HydrophobicContact CB-CZ 4.44Å; D298-F401 HydrophobicContact CB-CE2 4.29Å; D298-F401 HydrophobicContact CB-CZ 4.04Å; W396-F401 AromaticContact CZ2-CD2 3.93Å; W396-F401 HydrophobicContact CZ2-CD2 3.93Å; W396-F401 HydrophobicContact CZ2-CE2 4.21Å; S398-F401 CarbonylContact O-C 3.58Å; S398-F401 WeakPolarHBondContact O-CA 3.3Å; S398-F401 WeakPolarHBondContact O-CB 3.31Å; S398-F401 PolarHBondContact O-N 3.23Å; F401-R403 VanDerWaalsContact C-N 3.3Å; F401-R403 PolarHBondContact O-N 2.96Å; F401-M404 HydrophobicContact CB-CE 4.5Å; F401-M404 HydrophobicContact CD1-CE 3.54Å; F401-M404 HydrophobicContact CE1-CE 4.03Å; F401-M404 HydrophobicContact CG-CE 4.23Å; F401-M404 PolarHBondContact O-N 3.17Å; F401-Q405 VanDerWaalsContact O-CG 3.3Å; F401-Q405 WeakPolarHBondContact O-CG 3.26Å; F401-Q405 PolarHBondContact O-N 2.94Å
402	D	95.4	Very high	89.8	Confident	84 Å²	84	39.5 Å²	39.5	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-56.5	-43.7	174.3	-61.8	-31.5	0	0	0	111.8	S398 T399 S406	S398-D402 WeakPolarHBondContact CB-OD1 3Å; S398-D402 WeakPolarHBondContact CB-OD2 3.43Å; S398-D402 VanDerWaalsContact O-CG 3.29Å; S398-D402 PolarHBondContact O-N 2.85Å; S398-D402 PolarHBondContact OG-OD1 3.41Å; S398-D402 PolarHBondContact OG-OD2 3.14Å; T399-D402 WeakPolarHBondContact CA-OD2 3.41Å; T399-D402 PolarHBondContact N-OD2 3.13Å; D402-S406 VanDerWaalsContact O-CB 3.24Å; D402-S406 WeakPolarHBondContact O-CB 3.48Å; D402-S406 PolarHBondContact O-N 3.16Å
403	R	97.1	Very high	89.2	Confident	45 Å²	45	43.6 Å²	43.6	17%	0.17	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-38.1	178.9	-72.4	175.1	-173	-153.2	-2.6	111.7	T399 S400 F401 A407 V599 G602 D603 V629	T399-R403 WeakPolarHBondContact O-CD 3.33Å; T399-R403 WeakPolarHBondContact O-CG 3.12Å; T399-R403 PolarHBondContact O-N 3.1Å; S400-R403 PolarHBondContact O-N 2.88Å; F401-R403 VanDerWaalsContact C-N 3.3Å; F401-R403 PolarHBondContact O-N 2.96Å; R403-A407 WeakPolarHBondContact O-CB 3.39Å; R403-A407 PolarHBondContact O-N 3.38Å; R403-V599 WeakPolarHBondContact CD-O 3.49Å; R403-V599 PolarHBondContact NH1-O 2.9Å; R403-G602 WeakPolarHBondContact CD-O 3.39Å; R403-G602 VanDerWaalsContact CZ-C 3.48Å; R403-G602 PolarHBondContact NE-O 3.46Å; R403-G602 VanDerWaalsContact NE-O 3.11Å; R403-G602 VanDerWaalsContact NH1-C 3.33Å; R403-G602 PolarHBondContact NH1-O 2.98Å; R403-D603 IonicContact NH2-OD2 3.22Å; R403-V629 HydrophobicContact CB-CG1 4.31Å; R403-V629 HydrophobicContact CB-CG2 4.48Å
404	M	97.8	Very high	88.9	Confident	16 Å²	16	45.8 Å²	45.8	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-49.2	173.1	-69.8	-173.6	-70.9	0	0	111.5	V291 S400 F401 S406 A407 L408 P625 E626 V629	V291-M404 HydrophobicContact CG1-CB 4.06Å; V291-M404 HydrophobicContact CG1-CE 4.23Å; S400-M404 WeakPolarHBondContact O-CG 3.16Å; S400-M404 PolarHBondContact O-N 2.93Å; F401-M404 HydrophobicContact CB-CE 4.5Å; F401-M404 HydrophobicContact CD1-CE 3.54Å; F401-M404 HydrophobicContact CE1-CE 4.03Å; F401-M404 HydrophobicContact CG-CE 4.23Å; F401-M404 PolarHBondContact O-N 3.17Å; M404-S406 VanDerWaalsContact C-N 3.32Å; M404-S406 PolarHBondContact O-N 2.77Å; M404-A407 PolarHBondContact O-N 3.02Å; M404-A407 VanDerWaalsContact O-N 3.12Å; M404-L408 WeakPolarHBondContact O-CG 3.41Å; M404-L408 PolarHBondContact O-N 2.61Å; M404-P625 HydrophobicContact CB-CB 4.06Å; M404-P625 HydrophobicContact CG-CB 4.26Å; M404-P625 HydrophobicContact SD-CB 4.11Å; M404-E626 HydrophobicContact SD-CB 3.85Å; M404-V629 HydrophobicContact CG-CG2 3.97Å
405	Q	94.9	Very high	88.6	Confident	57 Å²	57	53.6 Å²	53.6	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-41.9	175.5	-66.2	-69.6	5.1	0	0	111.9	G288 V291 F401 A407 L408 K409	G288-Q405 PolarHBondContact O-NE2 3.46Å; V291-Q405 HydrophobicContact CG1-CG 3.96Å; F401-Q405 VanDerWaalsContact O-CG 3.3Å; F401-Q405 WeakPolarHBondContact O-CG 3.26Å; F401-Q405 PolarHBondContact O-N 2.94Å; Q405-A407 VanDerWaalsContact C-N 3.33Å; Q405-A407 PolarHBondContact O-N 2.89Å; Q405-L408 PolarHBondContact O-N 2.67Å; Q405-K409 WeakPolarHBondContact O-CB 3.24Å; Q405-K409 PolarHBondContact O-N 2.8Å
406	S	95.3	Very high	88.6	Confident	69 Å²	69	55.7 Å²	55.7	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-38.2	175.2	-170.3	0	0	0	0	112	D402 M404 K409 T410	D402-S406 VanDerWaalsContact O-CB 3.24Å; D402-S406 WeakPolarHBondContact O-CB 3.48Å; D402-S406 PolarHBondContact O-N 3.16Å; M404-S406 VanDerWaalsContact C-N 3.32Å; M404-S406 PolarHBondContact O-N 2.77Å; S406-K409 PolarHBondContact O-N 3.01Å; S406-T410 WeakPolarHBondContact O-CB 3.4Å; S406-T410 PolarHBondContact O-N 3.14Å; S406-T410 PolarHBondContact O-OG1 3.06Å; S406-T410 VanDerWaalsContact O-OG1 3.08Å
407	A	96.8	Very high	88.9	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-43.2	177.7	0	0	0	0	0	112	R403 M404 Q405 K409 T410 F411 M628 V629 V632	R403-A407 WeakPolarHBondContact O-CB 3.39Å; R403-A407 PolarHBondContact O-N 3.38Å; M404-A407 PolarHBondContact O-N 3.02Å; M404-A407 VanDerWaalsContact O-N 3.12Å; Q405-A407 VanDerWaalsContact C-N 3.33Å; Q405-A407 PolarHBondContact O-N 2.89Å; A407-K409 VanDerWaalsContact C-N 3.3Å; A407-K409 PolarHBondContact O-N 3.21Å; A407-T410 PolarHBondContact O-N 3.24Å; A407-F411 WeakPolarHBondContact O-CB 3.04Å; A407-F411 PolarHBondContact O-N 2.98Å; A407-M628 HydrophobicContact CB-CB 4.48Å; A407-V629 HydrophobicContact CB-CB 4.4Å; A407-V629 HydrophobicContact CB-CG2 4.02Å; A407-V632 HydrophobicContact CB-CG2 3.96Å
408	L	91.3	Very high	89.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-44.2	172.5	-64.4	175.3	0	0	0	111.2	Y283 Q284 F287 V291 M404 Q405 F411 A412 P625	Y283-L408 HydrophobicContact CD1-CD2 4.05Å; Y283-L408 HydrophobicContact CE1-CD2 3.57Å; Q284-L408 HydrophobicContact CB-CB 4.47Å; Q284-L408 HydrophobicContact CG-CB 4.12Å; F287-L408 HydrophobicContact CB-CD1 3.73Å; F287-L408 HydrophobicContact CB-CD2 3.93Å; V291-L408 HydrophobicContact CG2-CD1 4.34Å; M404-L408 WeakPolarHBondContact O-CG 3.41Å; M404-L408 PolarHBondContact O-N 2.61Å; Q405-L408 PolarHBondContact O-N 2.67Å; L408-F411 PolarHBondContact O-N 2.8Å; L408-A412 PolarHBondContact O-N 2.68Å; L408-A412 VanDerWaalsContact O-N 3.15Å; L408-P625 HydrophobicContact CD1-CB 4.36Å; L408-P625 HydrophobicContact CD2-CB 4.32Å; L408-P625 HydrophobicContact CD2-CG 4.45Å; L408-P625 HydrophobicContact CG-CB 4.44Å
409	K	87.8	Confident	89.6	Confident	123 Å²	123	49.5 Å²	49.5	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-41.6	175.7	-177	176.6	177.9	176.7	0	112.9	Q405 S406 A407 A412 V413	Q405-K409 WeakPolarHBondContact O-CB 3.24Å; Q405-K409 PolarHBondContact O-N 2.8Å; S406-K409 PolarHBondContact O-N 3.01Å; A407-K409 VanDerWaalsContact C-N 3.3Å; A407-K409 PolarHBondContact O-N 3.21Å; K409-A412 PolarHBondContact O-N 3.3Å; K409-V413 HydrophobicContact CG-CG2 4.23Å; K409-V413 WeakPolarHBondContact O-CB 3.46Å; K409-V413 WeakPolarHBondContact O-CG2 3.24Å; K409-V413 PolarHBondContact O-N 3.06Å
410	T	88.5	Confident	89.4	Confident	42 Å²	42	48.5 Å²	48.5	26%	0.258	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-40.7	176.3	-66.4	0	0	0	0	111	S406 A407 A412 V413 D414 V632	S406-T410 WeakPolarHBondContact O-CB 3.4Å; S406-T410 PolarHBondContact O-N 3.14Å; S406-T410 PolarHBondContact O-OG1 3.06Å; S406-T410 VanDerWaalsContact O-OG1 3.08Å; A407-T410 PolarHBondContact O-N 3.24Å; T410-A412 VanDerWaalsContact C-N 3.28Å; T410-A412 PolarHBondContact O-N 3.16Å; T410-V413 PolarHBondContact O-N 3.14Å; T410-D414 HydrophobicContact CG2-CB 4.03Å; T410-D414 WeakPolarHBondContact O-CA 3.41Å; T410-D414 WeakPolarHBondContact O-CB 3.49Å; T410-D414 PolarHBondContact O-N 3.44Å; T410-V632 HydrophobicContact CG2-CB 3.9Å; T410-V632 HydrophobicContact CG2-CG2 4.18Å
411	F	90.6	Very high	89.4	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-33	175.6	-177.4	-120.7	0	0	0	113.2	A280 Y283 A407 L408 V418 Y423 L426 L427 M628 V632	A280-F411 HydrophobicContact CB-CD1 3.57Å; A280-F411 HydrophobicContact CB-CE1 3.61Å; A280-F411 HydrophobicContact CB-CG 4.18Å; A280-F411 HydrophobicContact CB-CZ 4.24Å; A280-F411 WeakPolarHBondContact CB-O 2.98Å; Y283-F411 AromaticContact CD1-CD1 3.59Å; Y283-F411 HydrophobicContact CD1-CD1 3.59Å; Y283-F411 AromaticContact CD1-CE1 3.67Å; Y283-F411 HydrophobicContact CD1-CE1 3.67Å; Y283-F411 HydrophobicContact CD2-CE1 4.49Å; Y283-F411 AromaticContact CE1-CD1 3.79Å; Y283-F411 HydrophobicContact CE1-CD1 3.79Å; Y283-F411 AromaticContact CE1-CE1 3.89Å; Y283-F411 HydrophobicContact CE1-CE1 3.89Å; Y283-F411 HydrophobicContact CG-CD1 4.33Å; Y283-F411 AromaticContact CG-CE1 3.99Å; Y283-F411 HydrophobicContact CG-CE1 3.99Å; A407-F411 WeakPolarHBondContact O-CB 3.04Å; A407-F411 PolarHBondContact O-N 2.98Å; L408-F411 PolarHBondContact O-N 2.8Å; F411-V418 HydrophobicContact CD2-CG2 4.19Å; F411-V418 HydrophobicContact CE2-CG2 4.02Å; F411-Y423 HydrophobicContact CD2-CD2 4.4Å; F411-Y423 AromaticContact CE2-CD2 3.71Å; F411-Y423 HydrophobicContact CE2-CD2 3.71Å; F411-Y423 HydrophobicContact CE2-CE2 4.28Å; F411-Y423 HydrophobicContact CZ-CD2 4.02Å; F411-Y423 HydrophobicContact CZ-CE2 4.32Å; F411-L426 HydrophobicContact CE2-CD1 4.02Å; F411-L426 HydrophobicContact CZ-CB 4.23Å; F411-L426 HydrophobicContact CZ-CD1 4.26Å; F411-L427 HydrophobicContact CE1-CD2 3.91Å; F411-L427 HydrophobicContact CZ-CD2 4.08Å; F411-L427 HydrophobicContact CZ-CG 4.35Å; F411-M628 HydrophobicContact CB-CE 4.05Å; F411-M628 HydrophobicContact CD1-CE 3.91Å; F411-M628 HydrophobicContact CD2-CE 3.46Å; F411-M628 VanDerWaalsContact CD2-CE 3.46Å; F411-M628 HydrophobicContact CE1-CE 4.2Å; F411-M628 HydrophobicContact CE2-CE 3.78Å; F411-M628 HydrophobicContact CG-CE 3.53Å; F411-M628 HydrophobicContact CZ-CE 4.14Å; F411-V632 HydrophobicContact CB-CG1 3.86Å
412	A	73.3	Confident	89.4	Confident	12 Å²	12	47.2 Å²	47.2	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-80.9	-32	177.1	0	0	0	0	0	114.6	A280 Y281 Q284 L408 K409 T410	A280-A412 HydrophobicContact CB-CB 4.25Å; Y281-A412 HydrophobicContact CD1-CB 3.99Å; Y281-A412 HydrophobicContact CE1-CB 4.12Å; Y281-A412 VanDerWaalsContact CE2-O 3.32Å; Y281-A412 WeakPolarHBondContact CE2-O 3.46Å; Y281-A412 HydrophobicContact CG-CB 4.27Å; Y281-A412 VanDerWaalsContact CZ-O 3.28Å; Y281-A412 PolarHBondContact OH-O 3.03Å; Q284-A412 HydrophobicContact CB-CB 4.3Å; Q284-A412 VanDerWaalsContact OE1-CB 3.27Å; L408-A412 PolarHBondContact O-N 2.68Å; L408-A412 VanDerWaalsContact O-N 3.15Å; K409-A412 PolarHBondContact O-N 3.3Å; T410-A412 VanDerWaalsContact C-N 3.28Å; T410-A412 PolarHBondContact O-N 3.16Å
413	V	75.6	Confident	89.3	Confident	86 Å²	86	45.9 Å²	45.9	52%	0.521	25%	0.25	S	C	.	.	H	α-helix	trans	-109.9	-21.8	-168.1	-179	0	0	0	0	113.8	Y281 K409 T410	Y281-V413 HydrophobicContact CE1-CG2 4.22Å; K409-V413 HydrophobicContact CG-CG2 4.23Å; K409-V413 WeakPolarHBondContact O-CB 3.46Å; K409-V413 WeakPolarHBondContact O-CG2 3.24Å; K409-V413 PolarHBondContact O-N 3.06Å; T410-V413 PolarHBondContact O-N 3.14Å
414	D	78.8	Confident	88.9	Confident	63 Å²	63	47.3 Å²	47.3	34%	0.337	26%	0.258	S	S	.	.			trans	-115.2	96.7	-178.8	-178.1	-1.3	0	0	0	111.1	T410 T416 S417	T410-D414 HydrophobicContact CG2-CB 4.03Å; T410-D414 WeakPolarHBondContact O-CA 3.41Å; T410-D414 WeakPolarHBondContact O-CB 3.49Å; T410-D414 PolarHBondContact O-N 3.44Å; D414-T416 PolarHBondContact O-N 3.09Å; D414-T416 VanDerWaalsContact O-N 3.08Å; D414-T416 WeakPolarHBondContact OD1-CA 3.34Å; D414-T416 WeakPolarHBondContact OD1-CB 3.4Å; D414-T416 PolarHBondContact OD1-N 2.66Å; D414-T416 PolarHBondContact OD1-OG1 3.07Å; D414-S417 WeakPolarHBondContact O-CB 3.34Å; D414-S417 PolarHBondContact O-N 3.42Å; D414-S417 PolarHBondContact O-OG 2.86Å; D414-S417 PolarHBondContact OD1-N 3.08Å
415	E	77.1	Confident	88.7	Confident	187 Å²	187	47.9 Å²	47.9	87%	0.874	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.1	175.1	-62	-179.7	-175.5	0	0	113.8
416	T	84.1	Confident	88.7	Confident	94 Å²	94	45.2 Å²	45.2	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-12.9	179.3	76.4	0	0	0	0	113.4	D414 V418	D414-T416 PolarHBondContact O-N 3.09Å; D414-T416 VanDerWaalsContact O-N 3.08Å; D414-T416 WeakPolarHBondContact OD1-CA 3.34Å; D414-T416 WeakPolarHBondContact OD1-CB 3.4Å; D414-T416 PolarHBondContact OD1-N 2.66Å; D414-T416 PolarHBondContact OD1-OG1 3.07Å; T416-V418 PolarHBondContact O-N 3.26Å
417	S	88.8	Confident	88.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.224	C	C	.	.	S	Bend	trans	-60.7	-26.2	-179.2	68.2	0	0	0	0	114	D414 V632 G634 A635	D414-S417 WeakPolarHBondContact O-CB 3.34Å; D414-S417 PolarHBondContact O-N 3.42Å; D414-S417 PolarHBondContact O-OG 2.86Å; D414-S417 PolarHBondContact OD1-N 3.08Å; S417-V632 WeakPolarHBondContact CA-O 3.3Å; S417-V632 VanDerWaalsContact CB-O 3.31Å; S417-V632 WeakPolarHBondContact CB-O 3.38Å; S417-V632 CarbonylContact O-C 3.59Å; S417-V632 VanDerWaalsContact O-C 3.28Å; S417-V632 WeakPolarHBondContact O-CA 3.37Å; S417-G634 CarbonylContact O-C 3.56Å; S417-G634 WeakPolarHBondContact O-CA 3.39Å; S417-G634 PolarHBondContact O-N 2.9Å; S417-A635 PolarHBondContact O-N 2.68Å
418	V	93.6	Very high	88.1	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.03	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-142.1	157.9	174.1	-67.9	0	0	0	0	110.4	F411 T416 I422 Y423 V631 A635	F411-V418 HydrophobicContact CD2-CG2 4.19Å; F411-V418 HydrophobicContact CE2-CG2 4.02Å; T416-V418 PolarHBondContact O-N 3.26Å; V418-I422 HydrophobicContact CB-CG2 4.25Å; V418-I422 HydrophobicContact CG1-CG2 4.3Å; V418-Y423 HydrophobicContact CG2-CD2 4.18Å; V418-V631 HydrophobicContact CG1-CG1 3.75Å; V418-A635 CarbonylContact C-O 3.6Å; V418-A635 HydrophobicContact CG1-CB 4.44Å
419	S	94.3	Very high	88	Confident	25 Å²	25	44.9 Å²	44.9	18%	0.175	24%	0.24	C	C	.	.			trans	-69.6	144	166.5	65.2	0	0	0	0	111.6	Y421 I422 Y423 A635	S419-Y421 PolarHBondContact O-N 3.27Å; S419-Y421 VanDerWaalsContact O-N 3.13Å; S419-I422 CarbonylContact O-C 3.54Å; S419-I422 WeakPolarHBondContact O-CA 3.25Å; S419-I422 WeakPolarHBondContact O-CB 3.38Å; S419-I422 PolarHBondContact O-N 3.24Å; S419-I422 WeakPolarHBondContact OG-CG1 3.2Å; S419-Y423 PolarHBondContact O-N 2.71Å; S419-A635 PolarHBondContact N-O 3.15Å; S419-A635 PolarHBondContact OG-O 3.02Å
420	G	88.3	Confident	87.9	Confident	42 Å²	42	47 Å²	47	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-54.7	-32.8	-179.3	0	0	0	0	0	115.1	Y423 H424	G420-Y423 WeakPolarHBondContact O-CB 3.47Å; G420-Y423 PolarHBondContact O-N 2.98Å; G420-H424 PolarHBondContact O-CD2 2.99Å; G420-H424 PolarHBondContact O-N 3.12Å
421	Y	93.8	Very high	88	Confident	34 Å²	34	47.1 Å²	47.1	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-43.1	171.7	175.7	-87.6	0	0	0	112.2	S419 K425 V431 E432 V434 P467 L468	S419-Y421 PolarHBondContact O-N 3.27Å; S419-Y421 VanDerWaalsContact O-N 3.13Å; Y421-K425 HydrophobicContact CD1-CG 4.3Å; Y421-K425 HydrophobicContact CE1-CG 3.94Å; Y421-K425 HydrophobicContact CE2-CG 4.21Å; Y421-K425 VanDerWaalsContact CZ-CE 3.42Å; Y421-K425 WeakPolarHBondContact O-CB 3.4Å; Y421-K425 VanDerWaalsContact O-CG 3.26Å; Y421-K425 WeakPolarHBondContact O-CG 3.36Å; Y421-K425 PolarHBondContact O-N 3.05Å; Y421-K425 VanDerWaalsContact O-N 3.08Å; Y421-K425 WeakPolarHBondContact OH-CE 3.22Å; Y421-V431 HydrophobicContact CD2-CG1 3.76Å; Y421-V431 HydrophobicContact CE2-CG1 4.11Å; Y421-E432 WeakPolarHBondContact CE2-O 3.49Å; Y421-V434 HydrophobicContact CD2-CB 3.95Å; Y421-V434 HydrophobicContact CD2-CG2 3.58Å; Y421-V434 HydrophobicContact CE2-CB 3.97Å; Y421-V434 HydrophobicContact CE2-CG2 3.91Å; Y421-V434 HydrophobicContact CG-CG2 4.43Å; Y421-P467 HydrophobicContact CD1-CB 3.6Å; Y421-P467 HydrophobicContact CD1-CG 3.83Å; Y421-P467 HydrophobicContact CE1-CB 3.76Å; Y421-P467 HydrophobicContact CE1-CG 3.82Å; Y421-P467 HydrophobicContact CG-CB 4.46Å; Y421-P467 HydrophobicContact CG-CG 4.36Å; Y421-L468 HydrophobicContact CE1-CB 4.07Å
422	I	95.3	Very high	88	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-44.1	176.7	-69.9	176	0	0	0	109.9	V418 S419 H424 K425 L426 A635 L638	V418-I422 HydrophobicContact CB-CG2 4.25Å; V418-I422 HydrophobicContact CG1-CG2 4.3Å; S419-I422 CarbonylContact O-C 3.54Å; S419-I422 WeakPolarHBondContact O-CA 3.25Å; S419-I422 WeakPolarHBondContact O-CB 3.38Å; S419-I422 PolarHBondContact O-N 3.24Å; S419-I422 WeakPolarHBondContact OG-CG1 3.2Å; I422-H424 PolarHBondContact O-N 3.48Å; I422-K425 PolarHBondContact O-N 3.15Å; I422-L426 HydrophobicContact CG2-CD1 3.59Å; I422-L426 HydrophobicContact CG2-CG 4Å; I422-L426 VanDerWaalsContact O-CB 3.31Å; I422-L426 WeakPolarHBondContact O-CB 3.46Å; I422-L426 WeakPolarHBondContact O-CG 3.35Å; I422-L426 PolarHBondContact O-N 2.8Å; I422-A635 HydrophobicContact CD1-CB 4.26Å; I422-L638 HydrophobicContact CD1-CB 4Å
423	Y	93	Very high	88.8	Confident	56 Å²	56	59.7 Å²	59.7	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-49.5	-58.5	174	-178.7	-95.5	0	0	0	111.8	A280 F411 V418 S419 G420 K425 L426 L427	A280-Y423 HydrophobicContact CB-CE2 3.6Å; A280-Y423 PolarHBondContact N-OH 3.24Å; F411-Y423 HydrophobicContact CD2-CD2 4.4Å; F411-Y423 AromaticContact CE2-CD2 3.71Å; F411-Y423 HydrophobicContact CE2-CD2 3.71Å; F411-Y423 HydrophobicContact CE2-CE2 4.28Å; F411-Y423 HydrophobicContact CZ-CD2 4.02Å; F411-Y423 HydrophobicContact CZ-CE2 4.32Å; V418-Y423 HydrophobicContact CG2-CD2 4.18Å; S419-Y423 PolarHBondContact O-N 2.71Å; G420-Y423 WeakPolarHBondContact O-CB 3.47Å; G420-Y423 PolarHBondContact O-N 2.98Å; Y423-K425 PolarHBondContact O-N 2.86Å; Y423-L426 PolarHBondContact O-N 3.44Å; Y423-L427 HydrophobicContact CD1-CD1 3.92Å; Y423-L427 HydrophobicContact CE1-CD1 3.4Å; Y423-L427 HydrophobicContact CE2-CD1 4.23Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 3.12Å
424	H	88.6	Confident	89.5	Confident	74 Å²	74	59 Å²	59	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-41.6	-178.2	-69.5	-53.1	0	0	0	113.4	G420 I422 L426 L427 G428 H429 V431	G420-H424 PolarHBondContact O-CD2 2.99Å; G420-H424 PolarHBondContact O-N 3.12Å; I422-H424 PolarHBondContact O-N 3.48Å; H424-L426 VanDerWaalsContact C-N 3.32Å; H424-L426 PolarHBondContact O-N 2.86Å; H424-L427 PolarHBondContact O-N 2.77Å; H424-G428 PolarHBondContact O-N 3.33Å; H424-H429 HydrophobicContact CB-CB 4.02Å; H424-H429 AromaticContact ND1-CE1 3.77Å; H424-H429 AromaticContact ND1-CG 4Å; H424-H429 AromaticContact ND1-ND1 3.16Å; H424-H429 PolarHBondContact ND1-ND1 2.89Å; H424-H429 VanDerWaalsContact ND1-ND1 3.16Å; H424-H429 WeakPolarHBondContact O-CB 3.44Å; H424-H429 PolarHBondContact O-N 3.48Å; H424-V431 HydrophobicContact CB-CG2 3.42Å; H424-V431 VanDerWaalsContact CB-CG2 3.42Å
425	K	92.9	Very high	90.1	Very high	29 Å²	29	61.1 Å²	61.1	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-31	175.7	-68.2	-70.9	-156.8	-174.9	0	112.4	Y421 I422 Y423 G428 V431 D433 L468	Y421-K425 HydrophobicContact CD1-CG 4.3Å; Y421-K425 HydrophobicContact CE1-CG 3.94Å; Y421-K425 HydrophobicContact CE2-CG 4.21Å; Y421-K425 VanDerWaalsContact CZ-CE 3.42Å; Y421-K425 WeakPolarHBondContact O-CB 3.4Å; Y421-K425 VanDerWaalsContact O-CG 3.26Å; Y421-K425 WeakPolarHBondContact O-CG 3.36Å; Y421-K425 PolarHBondContact O-N 3.05Å; Y421-K425 VanDerWaalsContact O-N 3.08Å; Y421-K425 WeakPolarHBondContact OH-CE 3.22Å; I422-K425 PolarHBondContact O-N 3.15Å; Y423-K425 PolarHBondContact O-N 2.86Å; K425-G428 PolarHBondContact O-N 3.41Å; K425-V431 HydrophobicContact CD-CB 4.08Å; K425-V431 HydrophobicContact CD-CG2 4.2Å; K425-V431 HydrophobicContact CG-CB 4.45Å; K425-V431 HydrophobicContact CG-CG2 4.33Å; K425-V431 PolarHBondContact NZ-O 2.91Å; K425-D433 IonicContact NZ-OD1 3.73Å; K425-D433 PolarHBondContact NZ-OD1 3.29Å; K425-L468 HydrophobicContact CB-CD2 3.95Å
426	L	94.7	Very high	90.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-42.3	173.8	-73.3	173.4	0	0	0	111.7	F411 I422 Y423 H424 G428 M628 V631 L665 R668 L669	F411-L426 HydrophobicContact CE2-CD1 4.02Å; F411-L426 HydrophobicContact CZ-CB 4.23Å; F411-L426 HydrophobicContact CZ-CD1 4.26Å; I422-L426 HydrophobicContact CG2-CD1 3.59Å; I422-L426 HydrophobicContact CG2-CG 4Å; I422-L426 VanDerWaalsContact O-CB 3.31Å; I422-L426 WeakPolarHBondContact O-CB 3.46Å; I422-L426 WeakPolarHBondContact O-CG 3.35Å; I422-L426 PolarHBondContact O-N 2.8Å; Y423-L426 PolarHBondContact O-N 3.44Å; H424-L426 VanDerWaalsContact C-N 3.32Å; H424-L426 PolarHBondContact O-N 2.86Å; L426-G428 PolarHBondContact O-N 2.93Å; L426-M628 HydrophobicContact CD1-CE 4Å; L426-M628 HydrophobicContact CD1-SD 4.08Å; L426-V631 HydrophobicContact CD1-CG1 4.16Å; L426-L665 HydrophobicContact CD2-CD1 3.68Å; L426-L665 HydrophobicContact CD2-CD2 4.02Å; L426-L665 HydrophobicContact CD2-CG 4.39Å; L426-R668 VanDerWaalsContact O-CZ 3.32Å; L426-R668 PolarHBondContact O-NH1 3.43Å; L426-R668 PolarHBondContact O-NH2 3.07Å; L426-L669 HydrophobicContact CD2-CD1 4.42Å
427	L	90.3	Very high	91	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.4	174.7	-61.9	177.5	0	0	0	113.5	R276 Y277 Y283 F411 Y423 H424 H429	R276-L427 CarbonylContact C-O 3.56Å; R276-L427 VanDerWaalsContact CA-O 3.3Å; R276-L427 WeakPolarHBondContact CA-O 3.26Å; Y277-L427 PolarHBondContact N-O 3.11Å; Y283-L427 HydrophobicContact CD2-CD2 4.37Å; Y283-L427 HydrophobicContact CG-CD2 4.41Å; F411-L427 HydrophobicContact CE1-CD2 3.91Å; F411-L427 HydrophobicContact CZ-CD2 4.08Å; F411-L427 HydrophobicContact CZ-CG 4.35Å; Y423-L427 HydrophobicContact CD1-CD1 3.92Å; Y423-L427 HydrophobicContact CE1-CD1 3.4Å; Y423-L427 HydrophobicContact CE2-CD1 4.23Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 3.12Å; H424-L427 PolarHBondContact O-N 2.77Å; L427-H429 VanDerWaalsContact C-N 3.35Å; L427-H429 VanDerWaalsContact CB-CD2 3.46Å; L427-H429 WeakPolarHBondContact CB-CD2 3.48Å; L427-H429 WeakPolarHBondContact CB-NE2 3.13Å
428	G	90.4	Very high	90.9	Very high	8 Å²	8	60.4 Å²	60.4	8%	0.082	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	17.6	-179.6	0	0	0	0	0	114.3	R276 H424 K425 L426	R276-G428 WeakPolarHBondContact CD-O 3.31Å; R276-G428 WeakPolarHBondContact CG-O 3.37Å; R276-G428 PolarHBondContact NE-O 3.29Å; R276-G428 VanDerWaalsContact NE-O 3.15Å; H424-G428 PolarHBondContact O-N 3.33Å; K425-G428 PolarHBondContact O-N 3.41Å; L426-G428 PolarHBondContact O-N 2.93Å
429	H	87.7	Confident	90.7	Very high	59 Å²	59	69.1 Å²	69.1	27%	0.273	35%	0.354	S	S	.	.			trans	-69.8	155.7	173.8	-62.7	-161.9	0	0	0	110.5	Y277 E278 H424 L427 V431	Y277-H429 PolarHBondContact O-CD2 2.83Å; Y277-H429 PolarHBondContact O-NE2 3.02Å; E278-H429 PolarHBondContact O-CE1 2.91Å; E278-H429 PolarHBondContact O-NE2 3.2Å; H424-H429 HydrophobicContact CB-CB 4.02Å; H424-H429 AromaticContact ND1-CE1 3.77Å; H424-H429 AromaticContact ND1-CG 4Å; H424-H429 AromaticContact ND1-ND1 3.16Å; H424-H429 PolarHBondContact ND1-ND1 2.89Å; H424-H429 VanDerWaalsContact ND1-ND1 3.16Å; H424-H429 WeakPolarHBondContact O-CB 3.44Å; H424-H429 PolarHBondContact O-N 3.48Å; L427-H429 VanDerWaalsContact C-N 3.35Å; L427-H429 VanDerWaalsContact CB-CD2 3.46Å; L427-H429 WeakPolarHBondContact CB-CD2 3.48Å; L427-H429 WeakPolarHBondContact CB-NE2 3.13Å; H429-V431 HydrophobicContact CB-CG2 4.48Å
430	E	87.4	Confident	90.6	Very high	167 Å²	167	71.1 Å²	71.1	78%	0.78	36%	0.362	S	S	*	.			trans	-81.5	127.6	173.1	-59.3	-168	178.8	0	0	110	R276	R276-E430 IonicContact NH2-OE1 3.33Å; R276-E430 PolarHBondContact NH2-OE1 2.81Å; R276-E430 VanDerWaalsContact NH2-OE1 3.1Å
431	V	90.6	Very high	90.8	Very high	44 Å²	44	70.7 Å²	70.7	27%	0.267	35%	0.352	S	S	.	.			trans	-145.6	133.5	-174.3	-167.8	0	0	0	0	108.1	Y421 H424 K425 H429	Y421-V431 HydrophobicContact CD2-CG1 3.76Å; Y421-V431 HydrophobicContact CE2-CG1 4.11Å; H424-V431 HydrophobicContact CB-CG2 3.42Å; H424-V431 VanDerWaalsContact CB-CG2 3.42Å; K425-V431 HydrophobicContact CD-CB 4.08Å; K425-V431 HydrophobicContact CD-CG2 4.2Å; K425-V431 HydrophobicContact CG-CB 4.45Å; K425-V431 HydrophobicContact CG-CG2 4.33Å; K425-V431 PolarHBondContact NZ-O 2.91Å; H429-V431 HydrophobicContact CB-CG2 4.48Å
432	E	89.5	Confident	90.6	Very high	176 Å²	176	79.6 Å²	79.6	82%	0.822	39%	0.392	S	S	*	.			trans	-58.6	140.6	172.6	-63.1	-170.9	165.8	0	0	111.7	Y421 V434	Y421-E432 WeakPolarHBondContact CE2-O 3.49Å; E432-V434 PolarHBondContact O-N 3.04Å
433	D	89.2	Confident	90.5	Very high	103 Å²	103	87.3 Å²	87.3	55%	0.551	42%	0.421	S	S	*	.			trans	-73.8	100.8	-175.8	-90.5	11.2	0	0	0	112.1	K425	K425-D433 IonicContact NZ-OD1 3.73Å; K425-D433 PolarHBondContact NZ-OD1 3.29Å
434	V	91.9	Very high	90.6	Very high	73 Å²	73	86.5 Å²	86.5	44%	0.442	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-71	133.7	178.6	175.8	0	0	0	0	111.3	Y421 E432 P467	Y421-V434 HydrophobicContact CD2-CB 3.95Å; Y421-V434 HydrophobicContact CD2-CG2 3.58Å; Y421-V434 HydrophobicContact CE2-CB 3.97Å; Y421-V434 HydrophobicContact CE2-CG2 3.91Å; Y421-V434 HydrophobicContact CG-CG2 4.43Å; E432-V434 PolarHBondContact O-N 3.04Å; V434-P467 HydrophobicContact CB-CG 4.12Å; V434-P467 HydrophobicContact CG1-CG 4.13Å; V434-P467 WeakPolarHBondContact O-CD 3.49Å
435	T	91.5	Very high	90.9	Very high	106 Å²	106	84.2 Å²	84.2	65%	0.65	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-101.9	128.7	171.9	54.1	0	0	0	0	111.8	Q465	T435-Q465 WeakPolarHBondContact CA-O 3.35Å
436	I	91.2	Very high	91	Very high	25 Å²	25	83 Å²	83	13%	0.128	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-79.2	122.5	174.1	-63.5	-178.6	0	0	0	109	C438 Q465 P467 Q637	I436-C438 HydrophobicContact CG2-CB 4.41Å; I436-C438 PolarHBondContact O-N 2.73Å; I436-Q465 PolarHBondContact N-O 3.32Å; I436-P467 HydrophobicContact CD1-CB 4.16Å; I436-P467 HydrophobicContact CD1-CG 4.09Å; I436-P467 HydrophobicContact CG1-CG 3.97Å; I436-Q637 HydrophobicContact CD1-CB 4.21Å; I436-Q637 HydrophobicContact CD1-CG 4.07Å
437	K	88.6	Confident	91	Very high	209 Å²	209	86 Å²	86	91%	0.909	43%	0.425	S	S	*	.			trans	-76.2	101.3	170.2	-65.3	-179.3	-177.4	176.4	0	109.4
438	C	87.1	Confident	91.2	Very high	33 Å²	33	89.1 Å²	89.1	22%	0.223	46%	0.457	C	S	.	.			trans	-126.7	157	175.4	62.6	0	0	0	0	110.8	I436 L440 L464	I436-C438 HydrophobicContact CG2-CB 4.41Å; I436-C438 PolarHBondContact O-N 2.73Å; C438-L440 PolarHBondContact O-N 2.91Å; C438-L464 PolarHBondContact SG-O 2.78Å
439	Q	88.1	Confident	91.4	Very high	189 Å²	189	89.8 Å²	89.8	88%	0.883	46%	0.458	S	S	*	.			trans	-81.7	112.7	169.3	-66.8	-171.4	7.8	0	0	108.9
440	L	92.3	Very high	91.8	Very high	66 Å²	66	91 Å²	91	35%	0.346	47%	0.471	S	S	.	.			trans	-69.3	139.9	176	-68.5	177	0	0	0	110.8	C438 F444 K461 L464 Q465	C438-L440 PolarHBondContact O-N 2.91Å; L440-F444 HydrophobicContact CB-CZ 4.41Å; L440-F444 HydrophobicContact CD2-CE1 4.33Å; L440-F444 HydrophobicContact CD2-CZ 4.4Å; L440-K461 HydrophobicContact CD1-CG 4.16Å; L440-K461 HydrophobicContact CD2-CG 4.42Å; L440-L464 HydrophobicContact CD2-CB 4.28Å; L440-L464 HydrophobicContact CD2-CD1 4.38Å; L440-Q465 HydrophobicContact CD2-CG 4.04Å
441	P	92.1	Very high	92.2	Very high	34 Å²	34	88.3 Å²	88.3	22%	0.221	46%	0.462	C	S	.	.			trans	-72.2	149.1	-177.8	32.4	-38.3	0	0	0	111.8	R443 F444	P441-R443 VanDerWaalsContact C-N 3.27Å; P441-R443 WeakPolarHBondContact CB-O 3.19Å; P441-R443 PolarHBondContact O-N 2.87Å; P441-F444 HydrophobicContact CG-CD1 3.74Å; P441-F444 HydrophobicContact CG-CE1 3.77Å; P441-F444 HydrophobicContact CG-CG 4.41Å; P441-F444 HydrophobicContact CG-CZ 4.45Å
442	K	89.9	Confident	92.4	Very high	221 Å²	221	87.1 Å²	87.1	96%	0.961	45%	0.454	S	S	*	.	S	Bend	trans	-65.5	-26.5	178.4	-66.1	-175	-180	-179.4	0	113.9
443	R	93.4	Very high	92.7	Very high	162 Å²	162	79.7 Å²	79.7	61%	0.611	42%	0.42	S	S	*	.			trans	-131.8	135.6	168.6	-76.3	-174.9	68.3	175	0.3	107.9	P441 D451 H489	P441-R443 VanDerWaalsContact C-N 3.27Å; P441-R443 WeakPolarHBondContact CB-O 3.19Å; P441-R443 PolarHBondContact O-N 2.87Å; R443-D451 IonicContact NH2-OD1 2.9Å; R443-D451 PolarHBondContact NH2-OD1 2.91Å; R443-D451 IonicContact NH2-OD2 3.54Å; R443-H489 PolarHBondContact O-CE1 3.27Å
444	F	94.9	Very high	93.1	Very high	38 Å²	38	80.3 Å²	80.3	17%	0.167	42%	0.419	C	S	.	.	S	Bend	trans	-82.4	-26.9	177.2	-72	-79.1	0	0	0	113	L440 P441 A446 V457 V460 K461 L464 T485 H489	L440-F444 HydrophobicContact CB-CZ 4.41Å; L440-F444 HydrophobicContact CD2-CE1 4.33Å; L440-F444 HydrophobicContact CD2-CZ 4.4Å; P441-F444 HydrophobicContact CG-CD1 3.74Å; P441-F444 HydrophobicContact CG-CE1 3.77Å; P441-F444 HydrophobicContact CG-CG 4.41Å; P441-F444 HydrophobicContact CG-CZ 4.45Å; F444-A446 PolarHBondContact O-N 2.9Å; F444-V457 HydrophobicContact CB-CG1 4.18Å; F444-V457 HydrophobicContact CB-CG2 4.28Å; F444-V457 HydrophobicContact CD2-CG1 3.68Å; F444-V457 HydrophobicContact CE2-CG1 4.34Å; F444-V457 HydrophobicContact CG-CG1 4.03Å; F444-V460 HydrophobicContact CD1-CB 4.16Å; F444-V460 HydrophobicContact CD1-CG1 3.76Å; F444-V460 HydrophobicContact CE1-CG1 4.47Å; F444-K461 HydrophobicContact CE1-CB 3.84Å; F444-K461 HydrophobicContact CE1-CG 4.34Å; F444-K461 HydrophobicContact CZ-CB 3.81Å; F444-K461 HydrophobicContact CZ-CD 4.44Å; F444-K461 HydrophobicContact CZ-CG 3.95Å; F444-L464 HydrophobicContact CE1-CD1 4.4Å; F444-T485 WeakPolarHBondContact O-CG2 3.33Å; F444-H489 PolarHBondContact O-NE2 3.24Å
445	T	95.4	Very high	93.3	Very high	27 Å²	27	77.1 Å²	77.1	17%	0.166	40%	0.4	C	S	.	.	S	Bend	trans	-60.5	128.2	170	-48.9	0	0	0	0	111.2	D451	T445-D451 VanDerWaalsContact CB-OD1 3.26Å; T445-D451 WeakPolarHBondContact CB-OD1 3.5Å; T445-D451 HydrophobicContact CG2-CB 4.38Å; T445-D451 WeakPolarHBondContact CG2-OD1 3.38Å; T445-D451 PolarHBondContact OG1-OD1 3.43Å
446	A	94.9	Very high	93.6	Very high	2 Å²	2	72.5 Å²	72.5	2%	0.017	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-82.4	149.9	169.9	0	0	0	0	0	111.1	F444 L449 T485 Y488 T518	F444-A446 PolarHBondContact O-N 2.9Å; A446-L449 HydrophobicContact CB-CD1 4.32Å; A446-L449 PolarHBondContact O-N 3.16Å; A446-T485 HydrophobicContact CB-CG2 4Å; A446-Y488 HydrophobicContact CB-CD1 3.71Å; A446-Y488 HydrophobicContact CB-CD2 4.32Å; A446-Y488 HydrophobicContact CB-CE1 4.26Å; A446-Y488 HydrophobicContact CB-CG 3.75Å; A446-T518 HydrophobicContact CB-CG2 3.98Å
447	P	95	Very high	93.9	Very high	65 Å²	65	73.4 Å²	73.4	42%	0.422	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	150.8	175.3	28.4	-36	0	0	0	111.3	L449 Y488 T518	P447-L449 PolarHBondContact O-N 3.47Å; P447-L449 VanDerWaalsContact O-N 3.07Å; P447-Y488 WeakPolarHBondContact CD-OH 3.5Å; P447-Y488 HydrophobicContact CG-CE2 3.83Å; P447-T518 WeakPolarHBondContact O-CA 3.39Å
448	G	94.2	Very high	94.3	Very high	65 Å²	65	70 Å²	70	67%	0.67	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-4.8	179.2	0	0	0	0	0	116.1	K517	G448-K517 WeakPolarHBondContact CA-O 3.4Å
449	L	95.3	Very high	94.8	Very high	22 Å²	22	68.5 Å²	68.5	12%	0.115	35%	0.35	C	S	.	.	S	Bend	trans	-108.7	158.1	174.4	-67.7	-178.9	0	0	0	111.9	A446 P447 V481 A484 K514 T518	A446-L449 HydrophobicContact CB-CD1 4.32Å; A446-L449 PolarHBondContact O-N 3.16Å; P447-L449 PolarHBondContact O-N 3.47Å; P447-L449 VanDerWaalsContact O-N 3.07Å; L449-V481 HydrophobicContact CB-CG1 4.46Å; L449-A484 HydrophobicContact CD1-CB 3.77Å; L449-K514 HydrophobicContact CD2-CB 4.21Å; L449-T518 HydrophobicContact CD1-CG2 3.66Å; L449-T518 HydrophobicContact CG-CG2 3.9Å
450	P	94.6	Very high	95.2	Very high	84 Å²	84	59.5 Å²	59.5	55%	0.545	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-59.7	147.5	174.5	-22.7	33.8	0	0	0	112.7	L452	P450-L452 PolarHBondContact O-N 2.87Å
451	D	95.6	Very high	95.4	Very high	110 Å²	110	60.9 Å²	60.9	59%	0.588	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-60.2	134.2	172.1	-90.8	-59.6	0	0	0	111.3	R443 T445	R443-D451 IonicContact NH2-OD1 2.9Å; R443-D451 PolarHBondContact NH2-OD1 2.91Å; R443-D451 IonicContact NH2-OD2 3.54Å; T445-D451 VanDerWaalsContact CB-OD1 3.26Å; T445-D451 WeakPolarHBondContact CB-OD1 3.5Å; T445-D451 HydrophobicContact CG2-CB 4.38Å; T445-D451 WeakPolarHBondContact CG2-OD1 3.38Å; T445-D451 PolarHBondContact OG1-OD1 3.43Å
452	L	95.9	Very high	95.7	Very high	20 Å²	20	60 Å²	60	11%	0.105	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81	139.8	-173.4	-64.5	-171.4	0	0	0	112.4	P450 Q456 V457 V460 V481 T485	P450-L452 PolarHBondContact O-N 2.87Å; L452-Q456 HydrophobicContact CB-CB 3.97Å; L452-Q456 HydrophobicContact CD1-CB 4.32Å; L452-Q456 HydrophobicContact CD2-CB 4.13Å; L452-Q456 HydrophobicContact CG-CB 4.37Å; L452-V457 HydrophobicContact CB-CG2 3.63Å; L452-V460 HydrophobicContact CD1-CG2 3.64Å; L452-V481 HydrophobicContact CD2-CG1 4.03Å; L452-T485 HydrophobicContact CD1-CG2 3.8Å
453	N	96.1	Very high	96	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.102	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-76	169.7	171.6	75.1	47.5	0	0	0	112.6	S455 Q456 V457 Y683	N453-S455 VanDerWaalsContact C-N 3.29Å; N453-S455 PolarHBondContact O-N 3.49Å; N453-S455 PolarHBondContact OD1-N 2.86Å; N453-S455 PolarHBondContact OD1-OG 2.78Å; N453-Q456 VanDerWaalsContact ND2-CD 3.31Å; N453-Q456 PolarHBondContact ND2-NE2 2.68Å; N453-Q456 PolarHBondContact ND2-OE1 2.74Å; N453-Q456 PolarHBondContact O-N 2.96Å; N453-Q456 VanDerWaalsContact O-N 3.09Å; N453-Q456 PolarHBondContact OD1-N 2.93Å; N453-V457 WeakPolarHBondContact O-CG2 3.35Å; N453-V457 PolarHBondContact O-N 2.96Å; N453-Y683 WeakPolarHBondContact CB-OH 3.19Å; N453-Y683 WeakPolarHBondContact ND2-CE2 3.28Å; N453-Y683 PolarHBondContact ND2-OH 3.01Å
454	H	96.1	Very high	96.1	Very high	116 Å²	116	42 Å²	42	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-51.9	-41.6	-177.6	66.5	-91.2	0	0	0	114	Y458	H454-Y458 VanDerWaalsContact O-CB 3.3Å; H454-Y458 WeakPolarHBondContact O-CB 3.02Å; H454-Y458 PolarHBondContact O-N 3.11Å
455	S	96.4	Very high	96.2	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-72.4	-36.1	-179.1	71.7	0	0	0	0	112.2	N453 A459 Q680	N453-S455 VanDerWaalsContact C-N 3.29Å; N453-S455 PolarHBondContact O-N 3.49Å; N453-S455 PolarHBondContact OD1-N 2.86Å; N453-S455 PolarHBondContact OD1-OG 2.78Å; S455-A459 WeakPolarHBondContact O-CB 3.33Å; S455-A459 PolarHBondContact O-N 2.86Å; S455-Q680 PolarHBondContact OG-N 2.74Å
456	Q	97.4	Very high	96.2	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-44.4	175	-65.3	165.6	-19.7	0	0	111.1	L452 N453 Y458 A459 V460 T477 T482 L679	L452-Q456 HydrophobicContact CB-CB 3.97Å; L452-Q456 HydrophobicContact CD1-CB 4.32Å; L452-Q456 HydrophobicContact CD2-CB 4.13Å; L452-Q456 HydrophobicContact CG-CB 4.37Å; N453-Q456 VanDerWaalsContact ND2-CD 3.31Å; N453-Q456 PolarHBondContact ND2-NE2 2.68Å; N453-Q456 PolarHBondContact ND2-OE1 2.74Å; N453-Q456 PolarHBondContact O-N 2.96Å; N453-Q456 VanDerWaalsContact O-N 3.09Å; N453-Q456 PolarHBondContact OD1-N 2.93Å; Q456-Y458 VanDerWaalsContact C-N 3.33Å; Q456-Y458 PolarHBondContact O-N 3.37Å; Q456-A459 WeakPolarHBondContact O-CB 3.44Å; Q456-A459 PolarHBondContact O-N 3.1Å; Q456-V460 WeakPolarHBondContact O-CG2 3.15Å; Q456-V460 PolarHBondContact O-N 3.23Å; Q456-T477 PolarHBondContact NE2-O 2.91Å; Q456-T482 HydrophobicContact CB-CG2 4.46Å; Q456-L679 HydrophobicContact CG-CD2 4.02Å
457	V	97.4	Very high	96.3	Very high	44 Å²	44	46.8 Å²	46.8	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-43.4	173.7	171.7	0	0	0	0	111.1	F444 L452 N453 A459 V460 K461	F444-V457 HydrophobicContact CB-CG1 4.18Å; F444-V457 HydrophobicContact CB-CG2 4.28Å; F444-V457 HydrophobicContact CD2-CG1 3.68Å; F444-V457 HydrophobicContact CE2-CG1 4.34Å; F444-V457 HydrophobicContact CG-CG1 4.03Å; L452-V457 HydrophobicContact CB-CG2 3.63Å; N453-V457 WeakPolarHBondContact O-CG2 3.35Å; N453-V457 PolarHBondContact O-N 2.96Å; V457-A459 VanDerWaalsContact C-N 3.34Å; V457-A459 PolarHBondContact O-N 3.17Å; V457-V460 PolarHBondContact O-N 3.09Å; V457-K461 WeakPolarHBondContact O-CB 3.15Å; V457-K461 PolarHBondContact O-N 3.41Å
458	Y	97.3	Very high	96.5	Very high	138 Å²	138	44.2 Å²	44.2	54%	0.541	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-42.8	174.5	176.3	-98.1	0	0	0	111.8	H454 Q456 T462 I677	H454-Y458 VanDerWaalsContact O-CB 3.3Å; H454-Y458 WeakPolarHBondContact O-CB 3.02Å; H454-Y458 PolarHBondContact O-N 3.11Å; Q456-Y458 VanDerWaalsContact C-N 3.33Å; Q456-Y458 PolarHBondContact O-N 3.37Å; Y458-T462 VanDerWaalsContact O-CB 3.29Å; Y458-T462 WeakPolarHBondContact O-CB 3.44Å; Y458-T462 PolarHBondContact O-N 3.49Å; Y458-T462 PolarHBondContact O-OG1 3.32Å; Y458-I677 HydrophobicContact CD1-CG2 3.82Å; Y458-I677 HydrophobicContact CE1-CG2 3.95Å
459	A	97.6	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-54.1	175.3	0	0	0	0	0	112.1	S455 Q456 V457 K461 T462 V463 I471 T482 I677 L679	S455-A459 WeakPolarHBondContact O-CB 3.33Å; S455-A459 PolarHBondContact O-N 2.86Å; Q456-A459 WeakPolarHBondContact O-CB 3.44Å; Q456-A459 PolarHBondContact O-N 3.1Å; V457-A459 VanDerWaalsContact C-N 3.34Å; V457-A459 PolarHBondContact O-N 3.17Å; A459-K461 VanDerWaalsContact C-N 3.34Å; A459-K461 PolarHBondContact O-N 3.45Å; A459-T462 PolarHBondContact O-N 2.63Å; A459-V463 VanDerWaalsContact O-CB 3.32Å; A459-V463 WeakPolarHBondContact O-CB 3.48Å; A459-V463 WeakPolarHBondContact O-CG2 3.45Å; A459-V463 PolarHBondContact O-N 2.9Å; A459-I471 HydrophobicContact CB-CD1 4.46Å; A459-T482 HydrophobicContact CB-CG2 4.15Å; A459-I677 HydrophobicContact CB-CG2 3.76Å; A459-L679 HydrophobicContact CB-CD2 3.98Å
460	V	97.6	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.6	-48.7	178.3	-178.3	0	0	0	0	110.8	F444 L452 Q456 V457 T462 L464 T482 T485 I486	F444-V460 HydrophobicContact CD1-CB 4.16Å; F444-V460 HydrophobicContact CD1-CG1 3.76Å; F444-V460 HydrophobicContact CE1-CG1 4.47Å; L452-V460 HydrophobicContact CD1-CG2 3.64Å; Q456-V460 WeakPolarHBondContact O-CG2 3.15Å; Q456-V460 PolarHBondContact O-N 3.23Å; V457-V460 PolarHBondContact O-N 3.09Å; V460-T462 PolarHBondContact O-N 2.9Å; V460-L464 HydrophobicContact CG1-CD1 3.91Å; V460-L464 HydrophobicContact CG1-CG 4.46Å; V460-L464 VanDerWaalsContact O-CG 3.26Å; V460-L464 WeakPolarHBondContact O-CG 3.22Å; V460-L464 PolarHBondContact O-N 2.94Å; V460-L464 VanDerWaalsContact O-N 3.15Å; V460-T482 HydrophobicContact CG2-CG2 4.04Å; V460-T485 HydrophobicContact CG2-CG2 4.16Å; V460-I486 HydrophobicContact CB-CG1 4.35Å; V460-I486 HydrophobicContact CG1-CG1 4.3Å; V460-I486 HydrophobicContact CG2-CG1 4Å
461	K	96.8	Very high	97	Very high	96 Å²	96	36.3 Å²	36.3	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-57.5	-49.2	178.7	-178.5	-174.7	174.3	-171.8	0	112	L440 F444 V457 A459 Q465	L440-K461 HydrophobicContact CD1-CG 4.16Å; L440-K461 HydrophobicContact CD2-CG 4.42Å; F444-K461 HydrophobicContact CE1-CB 3.84Å; F444-K461 HydrophobicContact CE1-CG 4.34Å; F444-K461 HydrophobicContact CZ-CB 3.81Å; F444-K461 HydrophobicContact CZ-CD 4.44Å; F444-K461 HydrophobicContact CZ-CG 3.95Å; V457-K461 WeakPolarHBondContact O-CB 3.15Å; V457-K461 PolarHBondContact O-N 3.41Å; A459-K461 VanDerWaalsContact C-N 3.34Å; A459-K461 PolarHBondContact O-N 3.45Å; K461-Q465 WeakPolarHBondContact O-CG 3.45Å
462	T	96.7	Very high	97	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-70.1	-40.5	-173.5	-55.5	0	0	0	0	111.5	Y458 A459 V460 Q465 I677	Y458-T462 VanDerWaalsContact O-CB 3.29Å; Y458-T462 WeakPolarHBondContact O-CB 3.44Å; Y458-T462 PolarHBondContact O-N 3.49Å; Y458-T462 PolarHBondContact O-OG1 3.32Å; A459-T462 PolarHBondContact O-N 2.63Å; V460-T462 PolarHBondContact O-N 2.9Å; T462-Q465 PolarHBondContact O-N 3.07Å; T462-I677 HydrophobicContact CG2-CD1 3.82Å
463	V	97.1	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-44.4	179	168.3	0	0	0	0	111.8	A459 Q465 R466 I471 I486 Q637 I639 I677	A459-V463 VanDerWaalsContact O-CB 3.32Å; A459-V463 WeakPolarHBondContact O-CB 3.48Å; A459-V463 WeakPolarHBondContact O-CG2 3.45Å; A459-V463 PolarHBondContact O-N 2.9Å; V463-Q465 PolarHBondContact O-N 2.87Å; V463-Q465 VanDerWaalsContact O-N 3.07Å; V463-R466 PolarHBondContact O-N 2.82Å; V463-R466 VanDerWaalsContact O-N 3.16Å; V463-I471 HydrophobicContact CG2-CD1 4.05Å; V463-I471 HydrophobicContact CG2-CG1 4.24Å; V463-I486 HydrophobicContact CB-CD1 4.33Å; V463-I486 HydrophobicContact CG1-CD1 4.15Å; V463-I486 HydrophobicContact CG1-CG1 4.4Å; V463-I486 HydrophobicContact CG1-CG2 3.85Å; V463-I486 HydrophobicContact CG2-CD1 4.23Å; V463-Q637 PolarHBondContact O-NE2 2.7Å; V463-I639 HydrophobicContact CG1-CB 4.4Å; V463-I639 HydrophobicContact CG1-CD1 4.4Å; V463-I639 HydrophobicContact CG1-CG1 3.41Å; V463-I639 VanDerWaalsContact CG1-CG1 3.41Å; V463-I639 HydrophobicContact CG1-CG2 4.03Å; V463-I677 HydrophobicContact CG2-CD1 3.97Å
464	L	96.6	Very high	96.6	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-22.4	178.8	-72.1	170.6	0	0	0	113.1	C438 L440 F444 V460 H489 L490 Q637	C438-L464 PolarHBondContact SG-O 2.78Å; L440-L464 HydrophobicContact CD2-CB 4.28Å; L440-L464 HydrophobicContact CD2-CD1 4.38Å; F444-L464 HydrophobicContact CE1-CD1 4.4Å; V460-L464 HydrophobicContact CG1-CD1 3.91Å; V460-L464 HydrophobicContact CG1-CG 4.46Å; V460-L464 VanDerWaalsContact O-CG 3.26Å; V460-L464 WeakPolarHBondContact O-CG 3.22Å; V460-L464 PolarHBondContact O-N 2.94Å; V460-L464 VanDerWaalsContact O-N 3.15Å; L464-H489 HydrophobicContact CD1-CB 3.88Å; L464-H489 HydrophobicContact CD2-CB 3.94Å; L464-L490 HydrophobicContact CD2-CD2 3.79Å; L464-L490 HydrophobicContact CD2-CG 4.01Å; L464-Q637 PolarHBondContact O-NE2 2.72Å
465	Q	96.3	Very high	96.4	Very high	66 Å²	66	24.2 Å²	24.2	31%	0.308	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	3.2	-177.4	-58.8	-172.2	-95.3	0	0	114.2	T435 I436 L440 K461 T462 V463	T435-Q465 WeakPolarHBondContact CA-O 3.35Å; I436-Q465 PolarHBondContact N-O 3.32Å; L440-Q465 HydrophobicContact CD2-CG 4.04Å; K461-Q465 WeakPolarHBondContact O-CG 3.45Å; T462-Q465 PolarHBondContact O-N 3.07Å; V463-Q465 PolarHBondContact O-N 2.87Å; V463-Q465 VanDerWaalsContact O-N 3.07Å
466	R	96.1	Very high	96.1	Very high	96 Å²	96	24.9 Å²	24.9	36%	0.362	12%	0.117	S	C	.	.			trans	-127.8	142.8	-175.7	-72.8	-177.9	169.8	-170.4	-9.3	112.8	V463 Q637	V463-R466 PolarHBondContact O-N 2.82Å; V463-R466 VanDerWaalsContact O-N 3.16Å; R466-Q637 WeakPolarHBondContact O-CG 3.44Å; R466-Q637 PolarHBondContact O-NE2 2.94Å; R466-Q637 VanDerWaalsContact O-NE2 3.15Å
467	P	96.7	Very high	95.9	Very high	7 Å²	7	24.4 Å²	24.4	5%	0.045	12%	0.115	C	C	.	.	S	Bend	trans	-75.8	-22.7	175.1	-10.4	24.2	0	0	0	114.3	Y421 V434 I436 Q637 L638	Y421-P467 HydrophobicContact CD1-CB 3.6Å; Y421-P467 HydrophobicContact CD1-CG 3.83Å; Y421-P467 HydrophobicContact CE1-CB 3.76Å; Y421-P467 HydrophobicContact CE1-CG 3.82Å; Y421-P467 HydrophobicContact CG-CB 4.46Å; Y421-P467 HydrophobicContact CG-CG 4.36Å; V434-P467 HydrophobicContact CB-CG 4.12Å; V434-P467 HydrophobicContact CG1-CG 4.13Å; V434-P467 WeakPolarHBondContact O-CD 3.49Å; I436-P467 HydrophobicContact CD1-CB 4.16Å; I436-P467 HydrophobicContact CD1-CG 4.09Å; I436-P467 HydrophobicContact CG1-CG 3.97Å; P467-Q637 CarbonylContact O-C 3.18Å; P467-Q637 VanDerWaalsContact O-CA 3.31Å; P467-Q637 WeakPolarHBondContact O-CA 3.38Å; P467-L638 PolarHBondContact O-N 3.09Å
468	L	97.9	Very high	95.7	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.052	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.3	172.5	-178.4	60.5	0	0	0	108.6	Y421 K425 L638 L669 I674	Y421-L468 HydrophobicContact CE1-CB 4.07Å; K425-L468 HydrophobicContact CB-CD2 3.95Å; L468-L638 WeakPolarHBondContact CA-O 3.3Å; L468-L638 HydrophobicContact CD1-CB 4.04Å; L468-L638 HydrophobicContact CD1-CD2 4Å; L468-L638 HydrophobicContact CD1-CG 4.07Å; L468-L669 HydrophobicContact CD2-CD1 4.47Å; L468-I674 HydrophobicContact CD2-CD1 3.82Å
469	S	98.2	Very high	95.5	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	138.3	173.6	-75.2	0	0	0	0	112.2	L638 L640	S469-L638 PolarHBondContact N-O 3.43Å; S469-L640 PolarHBondContact O-N 2.95Å
470	L	98.3	Very high	95.2	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.7	171.8	-50.7	-175.9	0	0	0	108.8	L640 F666 L669 V670 I674 P676 I677	L470-L640 CarbonylContact C-O 3.53Å; L470-L640 WeakPolarHBondContact CA-O 3.34Å; L470-L640 HydrophobicContact CD2-CB 3.77Å; L470-L640 HydrophobicContact CD2-CD1 3.84Å; L470-L640 HydrophobicContact CD2-CG 4.15Å; L470-F666 HydrophobicContact CB-CD2 4.37Å; L470-F666 HydrophobicContact CB-CE2 3.83Å; L470-F666 HydrophobicContact CB-CZ 4.15Å; L470-F666 HydrophobicContact CD2-CD2 4.14Å; L470-F666 HydrophobicContact CD2-CE2 4.44Å; L470-L669 HydrophobicContact CD1-CB 3.95Å; L470-L669 HydrophobicContact CD2-CD1 4.13Å; L470-V670 HydrophobicContact CD1-CG2 3.75Å; L470-I674 HydrophobicContact CD1-CB 4.05Å; L470-I674 HydrophobicContact CD1-CG2 3.87Å; L470-I674 HydrophobicContact CG-CG2 3.96Å; L470-P676 HydrophobicContact CB-CB 3.98Å; L470-P676 HydrophobicContact CB-CG 4.15Å; L470-P676 HydrophobicContact CD1-CG 4.3Å; L470-P676 WeakPolarHBondContact O-CA 3Å; L470-I677 PolarHBondContact O-N 3.35Å
471	I	98	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	117	169.3	-54.8	-179.4	0	0	0	108.5	A459 V463 I486 I639 L640 V641 G642 F666 I677 L679	A459-I471 HydrophobicContact CB-CD1 4.46Å; V463-I471 HydrophobicContact CG2-CD1 4.05Å; V463-I471 HydrophobicContact CG2-CG1 4.24Å; I471-I486 HydrophobicContact CD1-CD1 3.51Å; I471-I639 HydrophobicContact CD1-CG2 4.29Å; I471-L640 PolarHBondContact N-O 3.44Å; I471-V641 HydrophobicContact CB-CB 4.46Å; I471-V641 HydrophobicContact CB-CG1 4.19Å; I471-V641 HydrophobicContact CB-CG2 4.14Å; I471-V641 HydrophobicContact CD1-CG2 3.95Å; I471-V641 HydrophobicContact CG1-CG2 4.24Å; I471-V641 HydrophobicContact CG2-CG1 4.43Å; I471-G642 PolarHBondContact O-N 3.16Å; I471-F666 WeakPolarHBondContact O-CE2 3.12Å; I471-I677 WeakPolarHBondContact CA-O 3.42Å; I471-L679 HydrophobicContact CG2-CD1 4.22Å; I471-L679 HydrophobicContact CG2-CD2 4.32Å; I471-L679 HydrophobicContact CG2-CG 3.97Å
472	Q	95.8	Very high	95.1	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.009	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.3	166.6	-170.8	-170.2	14	0	0	108.5	G642 D643 H644 F666 P676 I677 R678 L679	Q472-G642 WeakPolarHBondContact CA-O 3.28Å; Q472-D643 PolarHBondContact NE2-OD1 3.09Å; Q472-H644 PolarHBondContact NE2-CE1 3.27Å; Q472-H644 VanDerWaalsContact NE2-CE1 3.33Å; Q472-F666 HydrophobicContact CB-CZ 4.36Å; Q472-P676 HydrophobicContact CB-CB 3.82Å; Q472-I677 PolarHBondContact N-O 3.42Å; Q472-R678 CarbonylContact O-C 3.55Å; Q472-R678 WeakPolarHBondContact O-CA 3.47Å; Q472-L679 PolarHBondContact O-N 3.24Å
473	G	92.1	Very high	95.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.			trans	-126.6	100.6	175.1	0	0	0	0	0	112.8	T477 K479 G642	G473-T477 WeakPolarHBondContact CA-OG1 3.46Å; G473-K479 VanDerWaalsContact O-CD 3.31Å; G473-K479 WeakPolarHBondContact O-CD 3.43Å; G473-K479 PolarHBondContact O-NZ 3.02Å; G473-G642 PolarHBondContact N-O 3.48Å
474	P	92.9	Very high	95.1	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.019	8%	0.082	C	C	.	.			trans	-53	160.1	170.4	-25.8	33.6	0	0	0	113	G476 T477 L679 Y698 L702	P474-G476 PolarHBondContact O-N 3.45Å; P474-T477 HydrophobicContact CB-CG2 3.9Å; P474-T477 HydrophobicContact CG-CG2 4.28Å; P474-T477 WeakPolarHBondContact O-CB 3.4Å; P474-T477 VanDerWaalsContact O-CG2 3.27Å; P474-T477 WeakPolarHBondContact O-CG2 3.31Å; P474-T477 PolarHBondContact O-N 3.33Å; P474-T477 VanDerWaalsContact O-N 3.17Å; P474-T477 PolarHBondContact O-OG1 3.03Å; P474-L679 WeakPolarHBondContact CD-O 3.39Å; P474-Y698 HydrophobicContact CB-CD1 4.02Å; P474-Y698 HydrophobicContact CB-CD2 4.38Å; P474-Y698 HydrophobicContact CB-CE1 3.71Å; P474-Y698 HydrophobicContact CB-CE2 4.12Å; P474-Y698 HydrophobicContact CB-CG 4.34Å; P474-Y698 HydrophobicContact CG-CD1 3.66Å; P474-Y698 HydrophobicContact CG-CE1 3.65Å; P474-Y698 HydrophobicContact CG-CG 4.25Å; P474-L702 HydrophobicContact CB-CD1 3.74Å; P474-L702 HydrophobicContact CB-CD2 4.23Å; P474-L702 HydrophobicContact CG-CD1 4.13Å
475	P	90.8	Very high	95.2	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.032	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	131.1	179.9	-30.4	35.3	0	0	0	113.9	T477 Q646 M685 Y698 T845	P475-T477 VanDerWaalsContact C-N 3.29Å; P475-T477 PolarHBondContact O-N 3.42Å; P475-Q646 HydrophobicContact CG-CG 4.4Å; P475-M685 HydrophobicContact CB-CE 4.34Å; P475-Y698 WeakPolarHBondContact CD-OH 3.43Å; P475-T845 VanDerWaalsContact CB-CB 3.48Å; P475-T845 HydrophobicContact CB-CG2 4.02Å; P475-T845 HydrophobicContact CG-CG2 3.9Å; P475-T845 VanDerWaalsContact CG-OG1 3.3Å; P475-T845 WeakPolarHBondContact CG-OG1 3.26Å
476	G	90.6	Very high	95.3	Very high	20 Å²	20	11.4 Å²	11.4	21%	0.206	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	1.2	177.9	0	0	0	0	0	116.3	P474 G478 Y683	P474-G476 PolarHBondContact O-N 3.45Å; G476-G478 VanDerWaalsContact C-N 3.25Å; G476-G478 PolarHBondContact O-N 2.87Å; G476-Y683 PolarHBondContact O-N 3.34Å
477	T	94	Very high	95.4	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	5%	0.049	C	C	.	.	S	Bend	trans	-78.4	1.2	-177	58.6	0	0	0	0	115.9	Q456 G473 P474 P475 L679 V681 Q682 L702	Q456-T477 PolarHBondContact NE2-O 2.91Å; G473-T477 WeakPolarHBondContact CA-OG1 3.46Å; P474-T477 HydrophobicContact CB-CG2 3.9Å; P474-T477 HydrophobicContact CG-CG2 4.28Å; P474-T477 WeakPolarHBondContact O-CB 3.4Å; P474-T477 VanDerWaalsContact O-CG2 3.27Å; P474-T477 WeakPolarHBondContact O-CG2 3.31Å; P474-T477 PolarHBondContact O-N 3.33Å; P474-T477 VanDerWaalsContact O-N 3.17Å; P474-T477 PolarHBondContact O-OG1 3.03Å; P475-T477 VanDerWaalsContact C-N 3.29Å; P475-T477 PolarHBondContact O-N 3.42Å; T477-L679 HydrophobicContact CG2-CB 4.4Å; T477-V681 WeakPolarHBondContact CA-O 3.22Å; T477-Q682 HydrophobicContact CG2-CB 4.31Å; T477-L702 HydrophobicContact CG2-CD1 3.49Å; T477-L702 VanDerWaalsContact CG2-CD1 3.49Å
478	G	92.1	Very high	95.4	Very high	23 Å²	23	7.7 Å²	7.7	24%	0.237	5%	0.051	C	C	.	.			trans	80	31.4	177.6	0	0	0	0	0	115	G476 T480 V481 T482	G476-G478 VanDerWaalsContact C-N 3.25Å; G476-G478 PolarHBondContact O-N 2.87Å; G478-T480 PolarHBondContact O-N 3.38Å; G478-V481 PolarHBondContact O-N 2.97Å; G478-V481 VanDerWaalsContact O-N 3.14Å; G478-T482 PolarHBondContact O-N 3.27Å; G478-T482 PolarHBondContact O-OG1 2.82Å
479	K	92.6	Very high	95.4	Very high	15 Å²	15	8.1 Å²	8.1	7%	0.065	5%	0.053	C	C	.	.	H	α-helix	trans	-39.7	-65.2	172.3	-75.2	-162.2	-56.5	-141.7	0	112.1	G473 V481 T482 S483 E618 V641 L679	G473-K479 VanDerWaalsContact O-CD 3.31Å; G473-K479 WeakPolarHBondContact O-CD 3.43Å; G473-K479 PolarHBondContact O-NZ 3.02Å; K479-V481 PolarHBondContact O-N 3.23Å; K479-V481 VanDerWaalsContact O-N 3.13Å; K479-T482 CarbonylContact O-C 3.5Å; K479-T482 WeakPolarHBondContact O-CA 3.48Å; K479-T482 VanDerWaalsContact O-CB 3.27Å; K479-T482 WeakPolarHBondContact O-CB 3.41Å; K479-T482 PolarHBondContact O-N 2.58Å; K479-S483 PolarHBondContact O-N 2.99Å; K479-S483 PolarHBondContact O-OG 3.02Å; K479-S483 VanDerWaalsContact O-OG 3.05Å; K479-E618 WeakPolarHBondContact CE-OE1 3.27Å; K479-E618 IonicContact NZ-OE1 3.29Å; K479-E618 PolarHBondContact NZ-OE1 2.78Å; K479-E618 IonicContact NZ-OE2 3.57Å; K479-V641 HydrophobicContact CB-CG1 4.17Å; K479-V641 HydrophobicContact CD-CG1 3.91Å; K479-V641 HydrophobicContact CG-CG1 4.2Å; K479-L679 HydrophobicContact CG-CD1 4.31Å
480	T	91.5	Very high	95.3	Very high	28 Å²	28	8.1 Å²	8.1	17%	0.172	5%	0.053	C	C	.	.	H	α-helix	trans	-62	-25.7	-174	-27.2	0	0	0	0	113.8	G478 A484 L511 K514	G478-T480 PolarHBondContact O-N 3.38Å; T480-A484 VanDerWaalsContact O-CB 3.31Å; T480-A484 WeakPolarHBondContact O-CB 3.02Å; T480-A484 PolarHBondContact O-N 3.31Å; T480-L511 HydrophobicContact CG2-CB 3.77Å; T480-L511 HydrophobicContact CG2-CD1 3.68Å; T480-L511 HydrophobicContact CG2-CG 4.23Å; T480-K514 HydrophobicContact CG2-CD 3.94Å
481	V	95.4	Very high	95.2	Very high	23 Å²	23	8.4 Å²	8.4	14%	0.139	6%	0.055	C	C	.	.	H	α-helix	trans	-75.1	-40.7	172.8	178.1	0	0	0	0	110.5	L449 L452 G478 K479 T485 K514	L449-V481 HydrophobicContact CB-CG1 4.46Å; L452-V481 HydrophobicContact CD2-CG1 4.03Å; G478-V481 PolarHBondContact O-N 2.97Å; G478-V481 VanDerWaalsContact O-N 3.14Å; K479-V481 PolarHBondContact O-N 3.23Å; K479-V481 VanDerWaalsContact O-N 3.13Å; V481-T485 WeakPolarHBondContact O-CB 3.3Å; V481-T485 PolarHBondContact O-N 2.84Å; V481-T485 PolarHBondContact O-OG1 2.79Å; V481-K514 HydrophobicContact CG2-CD 4.03Å
482	T	97.4	Very high	95.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-46.1	173.7	-44.6	0	0	0	0	110.3	Q456 A459 V460 G478 K479 T485 I486 L679	Q456-T482 HydrophobicContact CB-CG2 4.46Å; A459-T482 HydrophobicContact CB-CG2 4.15Å; V460-T482 HydrophobicContact CG2-CG2 4.04Å; G478-T482 PolarHBondContact O-N 3.27Å; G478-T482 PolarHBondContact O-OG1 2.82Å; K479-T482 CarbonylContact O-C 3.5Å; K479-T482 WeakPolarHBondContact O-CA 3.48Å; K479-T482 VanDerWaalsContact O-CB 3.27Å; K479-T482 WeakPolarHBondContact O-CB 3.41Å; K479-T482 PolarHBondContact O-N 2.58Å; T482-T485 PolarHBondContact O-N 3.33Å; T482-I486 HydrophobicContact CG2-CD1 4.13Å; T482-I486 VanDerWaalsContact O-CG1 3.31Å; T482-I486 WeakPolarHBondContact O-CG1 3.36Å; T482-I486 PolarHBondContact O-N 3.5Å; T482-L679 HydrophobicContact CG2-CD2 4.48Å
483	S	97.4	Very high	94.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.5	-52.9	174.4	-53.8	0	0	0	0	111.9	K479 T485 I486 V487 D617	K479-S483 PolarHBondContact O-N 2.99Å; K479-S483 PolarHBondContact O-OG 3.02Å; K479-S483 VanDerWaalsContact O-OG 3.05Å; S483-T485 VanDerWaalsContact C-N 3.29Å; S483-T485 PolarHBondContact O-N 3.07Å; S483-I486 WeakPolarHBondContact O-CB 3.33Å; S483-I486 PolarHBondContact O-N 3.38Å; S483-V487 WeakPolarHBondContact O-CG2 3.34Å; S483-V487 PolarHBondContact O-N 2.96Å; S483-D617 WeakPolarHBondContact CB-OD2 3.28Å; S483-D617 PolarHBondContact OG-OD2 3.39Å
484	A	97.4	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-36.9	177.8	0	0	0	0	0	112.5	L449 T480 V487 Y488 L511 K514 I515	L449-A484 HydrophobicContact CD1-CB 3.77Å; T480-A484 VanDerWaalsContact O-CB 3.31Å; T480-A484 WeakPolarHBondContact O-CB 3.02Å; T480-A484 PolarHBondContact O-N 3.31Å; A484-V487 PolarHBondContact O-N 3.18Å; A484-Y488 PolarHBondContact O-N 2.88Å; A484-L511 HydrophobicContact CB-CD1 4.13Å; A484-K514 HydrophobicContact CB-CB 3.78Å; A484-I515 HydrophobicContact CB-CG1 3.72Å
485	T	97.9	Very high	94.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.8	-37	176.2	-55.6	0	0	0	0	112.6	F444 A446 L452 V460 V481 T482 S483 Y488 H489	F444-T485 WeakPolarHBondContact O-CG2 3.33Å; A446-T485 HydrophobicContact CB-CG2 4Å; L452-T485 HydrophobicContact CD1-CG2 3.8Å; V460-T485 HydrophobicContact CG2-CG2 4.16Å; V481-T485 WeakPolarHBondContact O-CB 3.3Å; V481-T485 PolarHBondContact O-N 2.84Å; V481-T485 PolarHBondContact O-OG1 2.79Å; T482-T485 PolarHBondContact O-N 3.33Å; S483-T485 VanDerWaalsContact C-N 3.29Å; S483-T485 PolarHBondContact O-N 3.07Å; T485-Y488 PolarHBondContact O-N 3.49Å; T485-H489 PolarHBondContact O-CD2 2.88Å; T485-H489 PolarHBondContact O-N 3.39Å
486	I	98.1	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-49.5	172	-71.7	162.1	0	0	0	109.9	V460 V463 I471 T482 S483 Y488 H489 L490 L615 I639	V460-I486 HydrophobicContact CB-CG1 4.35Å; V460-I486 HydrophobicContact CG1-CG1 4.3Å; V460-I486 HydrophobicContact CG2-CG1 4Å; V463-I486 HydrophobicContact CB-CD1 4.33Å; V463-I486 HydrophobicContact CG1-CD1 4.15Å; V463-I486 HydrophobicContact CG1-CG1 4.4Å; V463-I486 HydrophobicContact CG1-CG2 3.85Å; V463-I486 HydrophobicContact CG2-CD1 4.23Å; I471-I486 HydrophobicContact CD1-CD1 3.51Å; T482-I486 HydrophobicContact CG2-CD1 4.13Å; T482-I486 VanDerWaalsContact O-CG1 3.31Å; T482-I486 WeakPolarHBondContact O-CG1 3.36Å; T482-I486 PolarHBondContact O-N 3.5Å; S483-I486 WeakPolarHBondContact O-CB 3.33Å; S483-I486 PolarHBondContact O-N 3.38Å; I486-Y488 VanDerWaalsContact C-N 3.28Å; I486-Y488 PolarHBondContact O-N 3.35Å; I486-H489 PolarHBondContact O-N 2.95Å; I486-L490 HydrophobicContact CG2-CD1 3.59Å; I486-L490 HydrophobicContact CG2-CG 4.24Å; I486-L490 VanDerWaalsContact O-CG 3.3Å; I486-L490 WeakPolarHBondContact O-CG 3.38Å; I486-L490 PolarHBondContact O-N 3.11Å; I486-L615 HydrophobicContact CB-CD1 4.23Å; I486-L615 HydrophobicContact CG2-CD1 3.98Å; I486-I639 HydrophobicContact CG2-CG1 4.37Å
487	V	97.9	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-42.5	177.5	171	0	0	0	0	111.2	S483 A484 H489 L490 S491 V498 V500 I515 V593 L615	S483-V487 WeakPolarHBondContact O-CG2 3.34Å; S483-V487 PolarHBondContact O-N 2.96Å; A484-V487 PolarHBondContact O-N 3.18Å; V487-H489 PolarHBondContact O-N 2.85Å; V487-L490 PolarHBondContact O-N 3.33Å; V487-S491 WeakPolarHBondContact O-CB 3.44Å; V487-S491 PolarHBondContact O-N 3.18Å; V487-V498 HydrophobicContact CG1-CB 4.32Å; V487-V498 HydrophobicContact CG1-CG1 4.16Å; V487-V498 HydrophobicContact CG2-CG1 4.33Å; V487-V500 HydrophobicContact CB-CG2 4.46Å; V487-V500 HydrophobicContact CG1-CG2 4.02Å; V487-V500 HydrophobicContact CG2-CG2 3.54Å; V487-I515 HydrophobicContact CB-CD1 4.34Å; V487-I515 HydrophobicContact CB-CG1 4.47Å; V487-I515 HydrophobicContact CG1-CD1 4.06Å; V487-I515 HydrophobicContact CG1-CG1 4.31Å; V487-I515 HydrophobicContact CG1-CG2 4.15Å; V487-I515 HydrophobicContact CG2-CD1 4.3Å; V487-V593 HydrophobicContact CG1-CB 4.33Å; V487-V593 HydrophobicContact CG1-CG1 3.79Å; V487-V593 HydrophobicContact CG1-CG2 3.5Å; V487-V593 VanDerWaalsContact CG1-CG2 3.5Å; V487-L615 HydrophobicContact CG2-CB 4.33Å; V487-L615 HydrophobicContact CG2-CD1 4.27Å
488	Y	97.9	Very high	94.7	Very high	24 Å²	24	28.6 Å²	28.6	9%	0.094	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-49.5	176.3	179.1	-93.9	0	0	0	113.1	A446 P447 A484 T485 I486 L490 R492 T518 L520	A446-Y488 HydrophobicContact CB-CD1 3.71Å; A446-Y488 HydrophobicContact CB-CD2 4.32Å; A446-Y488 HydrophobicContact CB-CE1 4.26Å; A446-Y488 HydrophobicContact CB-CG 3.75Å; P447-Y488 WeakPolarHBondContact CD-OH 3.5Å; P447-Y488 HydrophobicContact CG-CE2 3.83Å; A484-Y488 PolarHBondContact O-N 2.88Å; T485-Y488 PolarHBondContact O-N 3.49Å; I486-Y488 VanDerWaalsContact C-N 3.28Å; I486-Y488 PolarHBondContact O-N 3.35Å; Y488-L490 VanDerWaalsContact C-N 3.31Å; Y488-L490 PolarHBondContact O-N 3.44Å; Y488-R492 HydrophobicContact CE1-CG 4.49Å; Y488-R492 VanDerWaalsContact CZ-CD 3.42Å; Y488-R492 WeakPolarHBondContact O-CB 3.36Å; Y488-R492 WeakPolarHBondContact O-CG 3.17Å; Y488-R492 PolarHBondContact O-N 2.87Å; Y488-R492 VanDerWaalsContact O-N 3.14Å; Y488-R492 WeakPolarHBondContact OH-CD 3.16Å; Y488-R492 PolarHBondContact OH-NH1 2.94Å; Y488-T518 HydrophobicContact CD2-CG2 4.22Å; Y488-T518 WeakPolarHBondContact CD2-OG1 3.37Å; Y488-L520 HydrophobicContact CD2-CD1 3.93Å; Y488-L520 HydrophobicContact CD2-CD2 4.27Å; Y488-L520 HydrophobicContact CD2-CG 4.07Å; Y488-L520 HydrophobicContact CE2-CD2 4.45Å
489	H	97.3	Very high	95.1	Very high	19 Å²	19	27.5 Å²	27.5	9%	0.088	16%	0.159	C	C	.	.	H	α-helix	trans	-74.4	-19.4	179.4	-64.5	-61.7	0	0	0	113.7	R443 F444 L464 T485 I486 V487 Q493	R443-H489 PolarHBondContact O-CE1 3.27Å; F444-H489 PolarHBondContact O-NE2 3.24Å; L464-H489 HydrophobicContact CD1-CB 3.88Å; L464-H489 HydrophobicContact CD2-CB 3.94Å; T485-H489 PolarHBondContact O-CD2 2.88Å; T485-H489 PolarHBondContact O-N 3.39Å; I486-H489 PolarHBondContact O-N 2.95Å; V487-H489 PolarHBondContact O-N 2.85Å; H489-Q493 WeakPolarHBondContact O-CG 3.38Å; H489-Q493 PolarHBondContact O-NE2 3.26Å
490	L	96.4	Very high	95.3	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-77.4	-48.9	172	-71.7	170.2	0	0	0	111.5	L464 I486 V487 Y488 R492 Q493 V498 I639	L464-L490 HydrophobicContact CD2-CD2 3.79Å; L464-L490 HydrophobicContact CD2-CG 4.01Å; I486-L490 HydrophobicContact CG2-CD1 3.59Å; I486-L490 HydrophobicContact CG2-CG 4.24Å; I486-L490 VanDerWaalsContact O-CG 3.3Å; I486-L490 WeakPolarHBondContact O-CG 3.38Å; I486-L490 PolarHBondContact O-N 3.11Å; V487-L490 PolarHBondContact O-N 3.33Å; Y488-L490 VanDerWaalsContact C-N 3.31Å; Y488-L490 PolarHBondContact O-N 3.44Å; L490-R492 VanDerWaalsContact C-N 3.3Å; L490-R492 PolarHBondContact O-N 2.97Å; L490-Q493 WeakPolarHBondContact O-CB 3.44Å; L490-Q493 PolarHBondContact O-N 3.42Å; L490-Q493 VanDerWaalsContact O-N 3.08Å; L490-V498 HydrophobicContact CB-CG2 3.91Å; L490-I639 HydrophobicContact CD1-CD1 3.88Å
491	S	96.2	Very high	95.7	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-55.9	-45.6	176.4	160.1	0	0	0	0	111	V487 Q493 G494	V487-S491 WeakPolarHBondContact O-CB 3.44Å; V487-S491 PolarHBondContact O-N 3.18Å; S491-Q493 PolarHBondContact O-N 3.18Å; S491-G494 PolarHBondContact O-N 3.02Å
492	R	94.4	Very high	95.7	Very high	176 Å²	176	24.5 Å²	24.5	66%	0.664	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-1	178.6	-71.1	-161.8	67.7	162.6	5.9	115.9	Y488 L490 G494	Y488-R492 HydrophobicContact CE1-CG 4.49Å; Y488-R492 VanDerWaalsContact CZ-CD 3.42Å; Y488-R492 WeakPolarHBondContact O-CB 3.36Å; Y488-R492 WeakPolarHBondContact O-CG 3.17Å; Y488-R492 PolarHBondContact O-N 2.87Å; Y488-R492 VanDerWaalsContact O-N 3.14Å; Y488-R492 WeakPolarHBondContact OH-CD 3.16Å; Y488-R492 PolarHBondContact OH-NH1 2.94Å; L490-R492 VanDerWaalsContact C-N 3.3Å; L490-R492 PolarHBondContact O-N 2.97Å; R492-G494 VanDerWaalsContact C-N 3.34Å
493	Q	90.1	Very high	95.5	Very high	63 Å²	63	25.4 Å²	25.4	29%	0.294	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.4	167.7	-61.7	174.1	28.1	0	0	113.2	H489 L490 S491 N495	H489-Q493 WeakPolarHBondContact O-CG 3.38Å; H489-Q493 PolarHBondContact O-NE2 3.26Å; L490-Q493 WeakPolarHBondContact O-CB 3.44Å; L490-Q493 PolarHBondContact O-N 3.42Å; L490-Q493 VanDerWaalsContact O-N 3.08Å; S491-Q493 PolarHBondContact O-N 3.18Å; Q493-N495 WeakPolarHBondContact CB-ND2 3.45Å; Q493-N495 PolarHBondContact O-N 2.67Å
494	G	83.4	Confident	95	Very high	67 Å²	67	27.2 Å²	27.2	69%	0.691	16%	0.16	S	C	*	.			trans	74.4	18.5	173.5	0	0	0	0	0	115.4	S491 R492 G496	S491-G494 PolarHBondContact O-N 3.02Å; R492-G494 VanDerWaalsContact C-N 3.34Å; G494-G496 PolarHBondContact O-N 3.46Å
495	N	88.9	Confident	94.6	Very high	85 Å²	85	28.9 Å²	28.9	46%	0.455	17%	0.169	S	C	.	.	S	Bend	trans	-83.9	25.7	-177.2	-68.7	-65.9	0	0	0	114.1	Q493	Q493-N495 WeakPolarHBondContact CB-ND2 3.45Å; Q493-N495 PolarHBondContact O-N 2.67Å
496	G	92.2	Very high	94	Very high	43 Å²	43	32 Å²	32	44%	0.443	19%	0.185	S	C	.	.	S	Bend	trans	82.3	-175.8	-168.1	0	0	0	0	0	113.6	G494	G494-G496 PolarHBondContact O-N 3.46Å
497	P	96.8	Very high	93.6	Very high	19 Å²	19	32.4 Å²	32.4	12%	0.123	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-61.3	140.6	-177.3	22	-33	0	0	0	112.8	A591 I594 M609 F611	P497-A591 WeakPolarHBondContact CB-O 3.45Å; P497-I594 HydrophobicContact CB-CD1 4.1Å; P497-I594 HydrophobicContact CB-CG1 4.12Å; P497-I594 HydrophobicContact CG-CD1 4.3Å; P497-M609 HydrophobicContact CG-CE 3.99Å; P497-F611 HydrophobicContact CB-CE1 4.21Å; P497-F611 HydrophobicContact CG-CD1 4.31Å; P497-F611 HydrophobicContact CG-CE1 3.84Å
498	V	98.3	Very high	93.4	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.2	168.9	-176.9	0	0	0	0	109.3	V487 L490 V500 D592 V593 I594	V487-V498 HydrophobicContact CG1-CB 4.32Å; V487-V498 HydrophobicContact CG1-CG1 4.16Å; V487-V498 HydrophobicContact CG2-CG1 4.33Å; L490-V498 HydrophobicContact CB-CG2 3.91Å; V498-V500 HydrophobicContact CG1-CG2 4.21Å; V498-D592 PolarHBondContact N-O 3Å; V498-V593 WeakPolarHBondContact O-CA 3.5Å; V498-I594 PolarHBondContact O-N 2.98Å
499	L	98.6	Very high	93.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	172.8	-173.2	65.4	0	0	0	110.4	I594 A601 F611 S613 I614 L615 P630 L633	L499-I594 HydrophobicContact CD1-CB 4.37Å; L499-I594 HydrophobicContact CD1-CG2 4.4Å; L499-A601 HydrophobicContact CD2-CB 4.34Å; L499-F611 HydrophobicContact CB-CB 3.75Å; L499-F611 HydrophobicContact CB-CD1 3.75Å; L499-F611 HydrophobicContact CB-CD2 4.26Å; L499-F611 HydrophobicContact CB-CE1 4.44Å; L499-F611 HydrophobicContact CB-CG 3.65Å; L499-F611 HydrophobicContact CD1-CE2 4.49Å; L499-F611 HydrophobicContact CD2-CB 4.34Å; L499-F611 HydrophobicContact CD2-CD2 3.91Å; L499-F611 HydrophobicContact CD2-CE2 4.48Å; L499-F611 HydrophobicContact CD2-CG 4.12Å; L499-F611 HydrophobicContact CG-CD2 4.48Å; L499-F611 HydrophobicContact CG-CG 4.34Å; L499-S613 PolarHBondContact N-O 3.07Å; L499-S613 VanDerWaalsContact N-O 3.17Å; L499-I614 HydrophobicContact CB-CG1 4.27Å; L499-I614 HydrophobicContact CB-CG2 4.32Å; L499-I614 HydrophobicContact CD2-CD1 4.25Å; L499-I614 HydrophobicContact CD2-CG2 4.26Å; L499-I614 HydrophobicContact CG-CG2 4.44Å; L499-I614 WeakPolarHBondContact O-CA 3.26Å; L499-L615 PolarHBondContact O-N 3.43Å; L499-P630 HydrophobicContact CD2-CB 3.78Å; L499-L633 HydrophobicContact CD2-CD1 3.98Å
500	V	98.6	Very high	92.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.4	-178.5	176.8	0	0	0	0	109.7	V487 V498 L511 I515 V593 I594 C595 C596 L615	V487-V500 HydrophobicContact CB-CG2 4.46Å; V487-V500 HydrophobicContact CG1-CG2 4.02Å; V487-V500 HydrophobicContact CG2-CG2 3.54Å; V498-V500 HydrophobicContact CG1-CG2 4.21Å; V500-L511 HydrophobicContact CG1-CD2 3.34Å; V500-L511 HydrophobicContact CG1-CG 3.77Å; V500-I515 HydrophobicContact CG1-CD1 4.06Å; V500-I515 HydrophobicContact CG2-CD1 4.15Å; V500-V593 HydrophobicContact CB-CG1 4.22Å; V500-V593 HydrophobicContact CG2-CG1 3.52Å; V500-I594 PolarHBondContact N-O 2.93Å; V500-C595 WeakPolarHBondContact O-CA 3.17Å; V500-C596 PolarHBondContact O-N 3.01Å; V500-L615 WeakPolarHBondContact CA-O 3.34Å
501	C	98.3	Very high	92.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.1	-175.5	-63.3	0	0	0	0	113.1	C596 L615 I616 D617 P630	C501-C596 WeakPolarHBondContact CA-O 3.46Å; C501-L615 PolarHBondContact N-O 2.67Å; C501-I616 HydrophobicContact CB-CG1 4.32Å; C501-I616 HydrophobicContact CB-CG2 4.34Å; C501-I616 CarbonylContact O-C 3.54Å; C501-I616 WeakPolarHBondContact O-CA 3.29Å; C501-D617 PolarHBondContact O-N 3.21Å; C501-P630 HydrophobicContact CB-CG 4.35Å
502	A	96	Very high	92.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	156.8	161.2	0	0	0	0	0	108.4	A507 V508 T597 C598 D617	A502-A507 HydrophobicContact CB-CB 3.65Å; A502-V508 HydrophobicContact CB-CG2 3.83Å; A502-T597 CarbonylContact O-C 3.37Å; A502-T597 WeakPolarHBondContact O-CA 3.23Å; A502-T597 WeakPolarHBondContact O-CB 3.13Å; A502-C598 PolarHBondContact O-N 2.91Å; A502-D617 WeakPolarHBondContact CA-O 3.38Å; A502-D617 WeakPolarHBondContact CB-O 3.3Å
503	P	92.8	Very high	92.8	Very high	21 Å²	21	28.4 Å²	28.4	14%	0.136	18%	0.178	C	C	.	.	S	Bend	trans	-66.4	-45.2	179.4	20.2	-28.3	0	0	0	112.2	Q621 A622	P503-Q621 HydrophobicContact CG-CB 3.65Å; P503-A622 HydrophobicContact CB-CB 4Å; P503-A622 HydrophobicContact CG-CB 4.01Å
504	S	88.5	Confident	93.1	Very high	37 Å²	37	28.1 Å²	28.1	26%	0.259	18%	0.175	S	C	.	.	S	Bend	trans	-91.2	136.7	-178.4	66.8	0	0	0	0	113	I506 A507 V508	S504-I506 PolarHBondContact O-N 3.38Å; S504-I506 VanDerWaalsContact O-N 3.16Å; S504-A507 PolarHBondContact O-N 3.06Å; S504-A507 VanDerWaalsContact O-N 3.07Å; S504-V508 PolarHBondContact O-N 3.18Å
505	N	87.6	Confident	93.8	Very high	36 Å²	36	24.9 Å²	24.9	19%	0.193	14%	0.143	C	C	.	.	H	α-helix	trans	-56	-33.6	178.7	-78.4	-80.6	0	0	0	112.9	V508 D509 R524 T597	N505-V508 PolarHBondContact O-N 3.24Å; N505-D509 WeakPolarHBondContact O-CB 3.44Å; N505-D509 PolarHBondContact O-N 2.85Å; N505-R524 PolarHBondContact OD1-NH2 2.89Å; N505-T597 HydrophobicContact CB-CG2 4.46Å
506	I	86.3	Confident	94.2	Very high	65 Å²	65	23.3 Å²	23.3	33%	0.333	13%	0.134	S	C	.	.	H	α-helix	trans	-64.6	-41.2	179	-60.3	153.3	0	0	0	110.9	S504 D509 Q510 R813	S504-I506 PolarHBondContact O-N 3.38Å; S504-I506 VanDerWaalsContact O-N 3.16Å; I506-D509 PolarHBondContact O-N 3.03Å; I506-Q510 WeakPolarHBondContact O-CB 3.26Å; I506-Q510 WeakPolarHBondContact O-CG 3.34Å; I506-Q510 PolarHBondContact O-N 2.98Å; I506-R813 VanDerWaalsContact CD1-NH2 3.31Å
507	A	89.1	Confident	94.4	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-39.6	176.7	0	0	0	0	0	111.7	A502 S504 L511 E618	A502-A507 HydrophobicContact CB-CB 3.65Å; S504-A507 PolarHBondContact O-N 3.06Å; S504-A507 VanDerWaalsContact O-N 3.07Å; A507-L511 WeakPolarHBondContact O-CB 3.35Å; A507-L511 PolarHBondContact O-N 3.29Å; A507-L511 VanDerWaalsContact O-N 3.09Å; A507-E618 HydrophobicContact CB-CG 4.38Å
508	V	93.9	Very high	94.4	Very high	2 Å²	2	26 Å²	26	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-46.4	172.4	-175	0	0	0	0	110.7	A502 S504 N505 L511 T512 C595 C596 T597	A502-V508 HydrophobicContact CB-CG2 3.83Å; S504-V508 PolarHBondContact O-N 3.18Å; N505-V508 PolarHBondContact O-N 3.24Å; V508-L511 PolarHBondContact O-N 3.29Å; V508-T512 WeakPolarHBondContact O-CB 3.43Å; V508-T512 PolarHBondContact O-N 3.38Å; V508-T512 PolarHBondContact O-OG1 3Å; V508-C595 HydrophobicContact CG1-CB 3.98Å; V508-C596 WeakPolarHBondContact CG2-O 3.35Å; V508-T597 HydrophobicContact CG2-CG2 3.85Å
509	D	92.3	Very high	94.3	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.139	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-43.8	-176.6	-68.2	-1.5	0	0	0	111.6	N505 I506 L511 T512 E513 R524 S535 V537	N505-D509 WeakPolarHBondContact O-CB 3.44Å; N505-D509 PolarHBondContact O-N 2.85Å; I506-D509 PolarHBondContact O-N 3.03Å; D509-L511 VanDerWaalsContact C-N 3.28Å; D509-L511 PolarHBondContact O-N 2.81Å; D509-T512 WeakPolarHBondContact O-CB 3.42Å; D509-T512 PolarHBondContact O-N 3.48Å; D509-E513 WeakPolarHBondContact O-CB 3.34Å; D509-E513 PolarHBondContact O-N 2.73Å; D509-R524 IonicContact OD1-CZ 3.31Å; D509-R524 IonicContact OD1-NE 3.22Å; D509-R524 PolarHBondContact OD1-NE 3.39Å; D509-R524 IonicContact OD1-NH2 3.73Å; D509-R524 PolarHBondContact OD1-NH2 3.45Å; D509-S535 VanDerWaalsContact CG-OG 3.32Å; D509-S535 PolarHBondContact OD2-OG 2.94Å; D509-V537 HydrophobicContact CB-CG2 3.76Å
510	Q	90.9	Very high	94.2	Very high	57 Å²	57	30.2 Å²	30.2	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-60.2	-33.9	173.5	-76.5	-177.5	-6.3	0	0	113.6	I506 K514 G812	I506-Q510 WeakPolarHBondContact O-CB 3.26Å; I506-Q510 WeakPolarHBondContact O-CG 3.34Å; I506-Q510 PolarHBondContact O-N 2.98Å; Q510-K514 WeakPolarHBondContact O-CG 3.28Å; Q510-G812 PolarHBondContact NE2-O 2.81Å; Q510-G812 PolarHBondContact OE1-O 2.84Å
511	L	94.4	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-79.8	-39.7	178.3	-176.7	49.9	0	0	0	111.1	T480 A484 V500 A507 V508 D509 E513 K514 I515 L615 D617	T480-L511 HydrophobicContact CG2-CB 3.77Å; T480-L511 HydrophobicContact CG2-CD1 3.68Å; T480-L511 HydrophobicContact CG2-CG 4.23Å; A484-L511 HydrophobicContact CB-CD1 4.13Å; V500-L511 HydrophobicContact CG1-CD2 3.34Å; V500-L511 HydrophobicContact CG1-CG 3.77Å; A507-L511 WeakPolarHBondContact O-CB 3.35Å; A507-L511 PolarHBondContact O-N 3.29Å; A507-L511 VanDerWaalsContact O-N 3.09Å; V508-L511 PolarHBondContact O-N 3.29Å; D509-L511 VanDerWaalsContact C-N 3.28Å; D509-L511 PolarHBondContact O-N 2.81Å; L511-E513 PolarHBondContact O-N 3.29Å; L511-K514 PolarHBondContact O-N 3.05Å; L511-K514 VanDerWaalsContact O-N 3.16Å; L511-I515 HydrophobicContact CD1-CD1 3.83Å; L511-I515 HydrophobicContact CD1-CG1 4.18Å; L511-I515 HydrophobicContact CG-CD1 3.8Å; L511-I515 WeakPolarHBondContact O-CD1 3.3Å; L511-I515 VanDerWaalsContact O-CG1 3.27Å; L511-I515 WeakPolarHBondContact O-CG1 3.46Å; L511-I515 PolarHBondContact O-N 3.32Å; L511-L615 HydrophobicContact CD2-CD2 4.08Å; L511-D617 HydrophobicContact CD2-CB 3.76Å
512	T	97	Very high	94.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-54.3	-50.6	171.8	-56.1	0	0	0	0	110.4	V508 D509 K514 I515 D516 V522 R524 V537 L540 C595	V508-T512 WeakPolarHBondContact O-CB 3.43Å; V508-T512 PolarHBondContact O-N 3.38Å; V508-T512 PolarHBondContact O-OG1 3Å; D509-T512 WeakPolarHBondContact O-CB 3.42Å; D509-T512 PolarHBondContact O-N 3.48Å; T512-K514 VanDerWaalsContact C-N 3.26Å; T512-K514 PolarHBondContact O-N 2.93Å; T512-I515 PolarHBondContact O-N 3.3Å; T512-I515 VanDerWaalsContact O-N 3.15Å; T512-D516 WeakPolarHBondContact O-CB 3.33Å; T512-D516 PolarHBondContact O-N 3.09Å; T512-V522 HydrophobicContact CG2-CG1 3.8Å; T512-R524 HydrophobicContact CG2-CB 4.23Å; T512-V537 HydrophobicContact CG2-CB 3.95Å; T512-V537 HydrophobicContact CG2-CG1 3.99Å; T512-V537 HydrophobicContact CG2-CG2 4.15Å; T512-L540 HydrophobicContact CG2-CB 4.44Å; T512-L540 HydrophobicContact CG2-CD1 3.69Å; T512-C595 HydrophobicContact CG2-CB 4.45Å; T512-C595 VanDerWaalsContact OG1-CB 3.23Å; T512-C595 WeakPolarHBondContact OG1-CB 3.42Å
513	E	95.8	Very high	94.3	Very high	63 Å²	63	37 Å²	37	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-58.6	-32.8	178.8	-168.5	-140.5	127.3	0	0	113.2	D509 L511 K517 V537	D509-E513 WeakPolarHBondContact O-CB 3.34Å; D509-E513 PolarHBondContact O-N 2.73Å; L511-E513 PolarHBondContact O-N 3.29Å; E513-K517 WeakPolarHBondContact O-CD 3.33Å; E513-K517 VanDerWaalsContact O-CG 3.31Å; E513-K517 WeakPolarHBondContact O-CG 3.23Å; E513-K517 IonicContact OE1-NZ 3.6Å; E513-K517 PolarHBondContact OE1-NZ 3.12Å; E513-V537 HydrophobicContact CB-CG1 3.9Å
514	K	95.3	Very high	94.5	Very high	56 Å²	56	36.3 Å²	36.3	24%	0.243	20%	0.196	C	C	.	.	H	α-helix	trans	-82.4	-29.7	178.2	-69.6	-175.4	-163.2	-49.1	0	113.3	L449 T480 V481 A484 Q510 L511 T512	L449-K514 HydrophobicContact CD2-CB 4.21Å; T480-K514 HydrophobicContact CG2-CD 3.94Å; V481-K514 HydrophobicContact CG2-CD 4.03Å; A484-K514 HydrophobicContact CB-CB 3.78Å; Q510-K514 WeakPolarHBondContact O-CG 3.28Å; L511-K514 PolarHBondContact O-N 3.05Å; L511-K514 VanDerWaalsContact O-N 3.16Å; T512-K514 VanDerWaalsContact C-N 3.26Å; T512-K514 PolarHBondContact O-N 2.93Å
515	I	97.5	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-76.2	-42.3	177.3	-64.8	161.5	0	0	0	109.7	A484 V487 V500 L511 T512 K517 T518 L520 V522 V593	A484-I515 HydrophobicContact CB-CG1 3.72Å; V487-I515 HydrophobicContact CB-CD1 4.34Å; V487-I515 HydrophobicContact CB-CG1 4.47Å; V487-I515 HydrophobicContact CG1-CD1 4.06Å; V487-I515 HydrophobicContact CG1-CG1 4.31Å; V487-I515 HydrophobicContact CG1-CG2 4.15Å; V487-I515 HydrophobicContact CG2-CD1 4.3Å; V500-I515 HydrophobicContact CG1-CD1 4.06Å; V500-I515 HydrophobicContact CG2-CD1 4.15Å; L511-I515 HydrophobicContact CD1-CD1 3.83Å; L511-I515 HydrophobicContact CD1-CG1 4.18Å; L511-I515 HydrophobicContact CG-CD1 3.8Å; L511-I515 WeakPolarHBondContact O-CD1 3.3Å; L511-I515 VanDerWaalsContact O-CG1 3.27Å; L511-I515 WeakPolarHBondContact O-CG1 3.46Å; L511-I515 PolarHBondContact O-N 3.32Å; T512-I515 PolarHBondContact O-N 3.3Å; T512-I515 VanDerWaalsContact O-N 3.15Å; I515-K517 VanDerWaalsContact C-N 3.28Å; I515-K517 PolarHBondContact O-N 3.13Å; I515-T518 WeakPolarHBondContact O-CB 3.18Å; I515-T518 PolarHBondContact O-N 2.96Å; I515-T518 PolarHBondContact O-OG1 3.34Å; I515-L520 HydrophobicContact CG2-CD1 4.1Å; I515-V522 HydrophobicContact CB-CG2 4.16Å; I515-V522 HydrophobicContact CG2-CG2 3.56Å; I515-V593 HydrophobicContact CD1-CG1 4.31Å; I515-V593 HydrophobicContact CG2-CB 4.2Å; I515-V593 HydrophobicContact CG2-CG1 4.23Å; I515-V593 HydrophobicContact CG2-CG2 3.82Å
516	D	97.4	Very high	95.1	Very high	51 Å²	51	34 Å²	34	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-52.9	-45.1	174.4	177.3	66.9	0	0	0	112.1	T512 T518 G519 V522 L540	T512-D516 WeakPolarHBondContact O-CB 3.33Å; T512-D516 PolarHBondContact O-N 3.09Å; D516-T518 PolarHBondContact O-N 3.29Å; D516-G519 PolarHBondContact O-N 3.31Å; D516-V522 HydrophobicContact CB-CG2 4.4Å; D516-L540 HydrophobicContact CB-CD1 3.74Å
517	K	96.8	Very high	95.3	Very high	110 Å²	110	33.2 Å²	33.2	48%	0.478	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.7	175.7	-74.3	171.4	-177.4	179.5	0	115.2	G448 E513 I515	G448-K517 WeakPolarHBondContact CA-O 3.4Å; E513-K517 WeakPolarHBondContact O-CD 3.33Å; E513-K517 VanDerWaalsContact O-CG 3.31Å; E513-K517 WeakPolarHBondContact O-CG 3.23Å; E513-K517 IonicContact OE1-NZ 3.6Å; E513-K517 PolarHBondContact OE1-NZ 3.12Å; I515-K517 VanDerWaalsContact C-N 3.28Å; I515-K517 PolarHBondContact O-N 3.13Å
518	T	97	Very high	95	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.7	172.8	71.7	0	0	0	0	114.2	A446 P447 L449 Y488 I515 D516 L520	A446-T518 HydrophobicContact CB-CG2 3.98Å; P447-T518 WeakPolarHBondContact O-CA 3.39Å; L449-T518 HydrophobicContact CD1-CG2 3.66Å; L449-T518 HydrophobicContact CG-CG2 3.9Å; Y488-T518 HydrophobicContact CD2-CG2 4.22Å; Y488-T518 WeakPolarHBondContact CD2-OG1 3.37Å; I515-T518 WeakPolarHBondContact O-CB 3.18Å; I515-T518 PolarHBondContact O-N 2.96Å; I515-T518 PolarHBondContact O-OG1 3.34Å; D516-T518 PolarHBondContact O-N 3.29Å; T518-L520 WeakPolarHBondContact OG1-CD1 3.31Å; T518-L520 WeakPolarHBondContact OG1-CG 3.45Å
519	G	96.4	Very high	94.3	Very high	71 Å²	71	40.4 Å²	40.4	73%	0.732	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	22.9	179.4	0	0	0	0	0	114.6	D516	D516-G519 PolarHBondContact O-N 3.31Å
520	L	97.1	Very high	93.8	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.105	22%	0.22	C	C	.	.			trans	-90.5	153.7	176.2	-66.1	176	0	0	0	111.6	Y488 I515 T518 V522 D592 V593	Y488-L520 HydrophobicContact CD2-CD1 3.93Å; Y488-L520 HydrophobicContact CD2-CD2 4.27Å; Y488-L520 HydrophobicContact CD2-CG 4.07Å; Y488-L520 HydrophobicContact CE2-CD2 4.45Å; I515-L520 HydrophobicContact CG2-CD1 4.1Å; T518-L520 WeakPolarHBondContact OG1-CD1 3.31Å; T518-L520 WeakPolarHBondContact OG1-CG 3.45Å; L520-V522 HydrophobicContact CB-CG2 4.44Å; L520-V522 PolarHBondContact O-N 3.26Å; L520-D592 HydrophobicContact CB-CB 3.97Å; L520-D592 HydrophobicContact CD2-CB 4.09Å; L520-D592 HydrophobicContact CG-CB 4.47Å; L520-V593 HydrophobicContact CD1-CG2 3.91Å
521	K	97.1	Very high	93.4	Very high	138 Å²	138	41.3 Å²	41.3	60%	0.6	22%	0.219	S	C	*	.			trans	-74.8	93.1	171.2	-62.6	175.6	-176.7	177.5	0	110.4	D592 V593	K521-D592 HydrophobicContact CB-CB 4.28Å; K521-D592 WeakPolarHBondContact CB-OD2 3.23Å; K521-D592 PolarHBondContact N-OD2 2.67Å; K521-D592 PolarHBondContact O-N 3.03Å; K521-V593 PolarHBondContact O-N 3.19Å
522	V	98.1	Very high	92.3	Very high	3 Å²	3	44 Å²	44	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.9	178.5	-169.2	0	0	0	0	111	T512 I515 D516 L520 L540 Q545 V593	T512-V522 HydrophobicContact CG2-CG1 3.8Å; I515-V522 HydrophobicContact CB-CG2 4.16Å; I515-V522 HydrophobicContact CG2-CG2 3.56Å; D516-V522 HydrophobicContact CB-CG2 4.4Å; L520-V522 HydrophobicContact CB-CG2 4.44Å; L520-V522 PolarHBondContact O-N 3.26Å; V522-L540 HydrophobicContact CB-CD1 4.5Å; V522-Q545 PolarHBondContact O-NE2 3.23Å; V522-Q545 VanDerWaalsContact O-NE2 3.09Å; V522-V593 WeakPolarHBondContact CA-O 3.4Å
523	V	98.3	Very high	91.2	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.6	171.7	179.9	0	0	0	0	109.4	L542 L588 A591 V593 I594 C595	V523-L542 HydrophobicContact CG1-CB 3.9Å; V523-L542 HydrophobicContact CG1-CD1 3.88Å; V523-L542 HydrophobicContact CG1-CG 4.37Å; V523-L588 HydrophobicContact CG1-CD2 3.83Å; V523-A591 HydrophobicContact CB-CB 4.35Å; V523-A591 HydrophobicContact CG2-CB 3.64Å; V523-V593 PolarHBondContact N-O 2.76Å; V523-I594 WeakPolarHBondContact O-CA 3.32Å; V523-C595 PolarHBondContact O-N 3.07Å
524	R	97.8	Very high	90.1	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.019	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	106.7	174.4	176.3	57.2	168.1	107.9	0.6	109.7	N505 D509 T512 V537 L540 A541 L542 C595	N505-R524 PolarHBondContact OD1-NH2 2.89Å; D509-R524 IonicContact OD1-CZ 3.31Å; D509-R524 IonicContact OD1-NE 3.22Å; D509-R524 PolarHBondContact OD1-NE 3.39Å; D509-R524 IonicContact OD1-NH2 3.73Å; D509-R524 PolarHBondContact OD1-NH2 3.45Å; T512-R524 HydrophobicContact CG2-CB 4.23Å; R524-V537 HydrophobicContact CG-CG2 4.35Å; R524-L540 HydrophobicContact CB-CB 4.3Å; R524-L540 WeakPolarHBondContact CB-O 3.29Å; R524-L540 PolarHBondContact N-O 3.08Å; R524-A541 VanDerWaalsContact O-CA 3.27Å; R524-A541 WeakPolarHBondContact O-CA 3.5Å; R524-L542 PolarHBondContact O-N 3.43Å; R524-C595 CarbonylContact C-O 3.55Å; R524-C595 WeakPolarHBondContact CA-O 3.48Å; R524-C595 WeakPolarHBondContact CD-O 3.49Å
525	L	96.9	Very high	89.5	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	27%	0.272	C	S	.	.			trans	-86.1	117.4	175.6	-172	71.3	0	0	0	110.1	L542 C595 C596 D603 L606	L525-L542 HydrophobicContact CD1-CB 4.37Å; L525-L542 HydrophobicContact CD1-CD2 3.54Å; L525-C595 PolarHBondContact N-O 2.81Å; L525-C596 HydrophobicContact CB-CB 4.08Å; L525-D603 HydrophobicContact CD2-CB 3.97Å; L525-L606 HydrophobicContact CD2-CD1 3.47Å; L525-L606 VanDerWaalsContact CD2-CD1 3.47Å; L525-L606 HydrophobicContact CD2-CD2 4.08Å; L525-L606 HydrophobicContact CD2-CG 3.59Å
526	C	92.8	Very high	88.9	Confident	19 Å²	19	54.8 Å²	54.8	13%	0.128	31%	0.306	C	S	.	.			trans	-105.3	152.7	174.3	-68.3	0	0	0	0	111.5	R605	C526-R605 PolarHBondContact O-NH2 3.41Å
527	A	88.6	Confident	88.7	Confident	49 Å²	49	52.5 Å²	52.5	41%	0.405	29%	0.294	S	S	.	.			trans	-67.2	147.2	166.3	0	0	0	0	0	110.3	S529 R530	A527-S529 VanDerWaalsContact C-N 3.32Å; A527-S529 PolarHBondContact O-N 3.41Å; A527-R530 WeakPolarHBondContact O-CA 3.24Å; A527-R530 WeakPolarHBondContact O-CB 3.4Å; A527-R530 PolarHBondContact O-N 3.24Å
528	K	84.2	Confident	88.4	Confident	138 Å²	138	48.5 Å²	48.5	60%	0.6	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.3	-36	-171.7	-66.1	-165.7	171	-172.3	0	114.7	R530 E531	K528-R530 PolarHBondContact O-N 2.88Å; K528-E531 PolarHBondContact O-N 2.99Å
529	S	79.1	Confident	88.2	Confident	23 Å²	23	53.8 Å²	53.8	16%	0.161	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-72.3	-2.6	175.5	62.7	0	0	0	0	114	G340 A527	G340-S529 WeakPolarHBondContact CA-O 3.24Å; G340-S529 WeakPolarHBondContact O-CB 3.39Å; G340-S529 PolarHBondContact O-OG 3.27Å; A527-S529 VanDerWaalsContact C-N 3.32Å; A527-S529 PolarHBondContact O-N 3.41Å
530	R	81.1	Confident	88.2	Confident	51 Å²	51	50.9 Å²	50.9	19%	0.192	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-109.9	7.8	173.1	-62.9	-163.6	61.7	109.7	-2.2	113.7	Q339 A527 K528 A532 I533	Q339-R530 PolarHBondContact O-NH1 3.38Å; A527-R530 WeakPolarHBondContact O-CA 3.24Å; A527-R530 WeakPolarHBondContact O-CB 3.4Å; A527-R530 PolarHBondContact O-N 3.24Å; K528-R530 PolarHBondContact O-N 2.88Å; R530-A532 PolarHBondContact O-N 3.36Å; R530-I533 HydrophobicContact CB-CD1 3.73Å; R530-I533 HydrophobicContact CB-CG1 4.5Å; R530-I533 HydrophobicContact CG-CD1 3.6Å; R530-I533 PolarHBondContact O-N 3.32Å
531	E	82.9	Confident	88.2	Confident	51 Å²	51	50 Å²	50	24%	0.238	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.6	177.1	-64.6	-178	-179.7	0	0	112.6	K528 H543 R605	K528-E531 PolarHBondContact O-N 2.99Å; E531-H543 HydrophobicContact CG-CB 4.28Å; E531-H543 PolarHBondContact O-NE2 3.4Å; E531-R605 IonicContact OE1-NH1 2.67Å
532	A	70.6	Confident	88.1	Confident	56 Å²	56	43.5 Å²	43.5	46%	0.463	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	13.9	174.8	0	0	0	0	0	114.3	R530	R530-A532 PolarHBondContact O-N 3.36Å
533	I	74.1	Confident	87.8	Confident	20 Å²	20	44.1 Å²	44.1	10%	0.103	24%	0.24	C	C	.	.			trans	-108.7	126.9	-174.9	-58.9	170.9	0	0	0	110.5	Q339 R530 S538	Q339-I533 VanDerWaalsContact C-CD1 3.48Å; Q339-I533 HydrophobicContact CB-CD1 3.58Å; Q339-I533 HydrophobicContact CB-CG1 4.25Å; Q339-I533 WeakPolarHBondContact O-CD1 3.5Å; R530-I533 HydrophobicContact CB-CD1 3.73Å; R530-I533 HydrophobicContact CB-CG1 4.5Å; R530-I533 HydrophobicContact CG-CD1 3.6Å; R530-I533 PolarHBondContact O-N 3.32Å; I533-S538 PolarHBondContact O-OG 3.19Å
534	E	73.1	Confident	87.5	Confident	189 Å²	189	46.3 Å²	46.3	88%	0.883	25%	0.251	S	S	*	.			trans	-73.6	140.3	172.2	-64.4	-172.3	171.5	0	0	112.1
535	S	82.6	Confident	87.3	Confident	30 Å²	30	48.1 Å²	48.1	21%	0.21	26%	0.26	C	S	.	.			trans	-149.8	152.1	176.8	170.5	0	0	0	0	108	D509 V537 S538	D509-S535 VanDerWaalsContact CG-OG 3.32Å; D509-S535 PolarHBondContact OD2-OG 2.94Å; S535-V537 PolarHBondContact O-N 3.11Å; S535-S538 PolarHBondContact N-OG 3.07Å; S535-S538 WeakPolarHBondContact O-CB 3.21Å; S535-S538 PolarHBondContact O-N 3.15Å; S535-S538 PolarHBondContact O-OG 3.31Å
536	P	85.6	Confident	87	Confident	108 Å²	108	48.2 Å²	48.2	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-19	173.6	-28.2	36.3	0	0	0	114.9	F539	P536-F539 WeakPolarHBondContact O-CE1 3.33Å
537	V	92.5	Very high	86.6	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	15.2	177.4	-60.2	0	0	0	0	114.1	D509 T512 E513 R524 S535 F539 L540	D509-V537 HydrophobicContact CB-CG2 3.76Å; T512-V537 HydrophobicContact CG2-CB 3.95Å; T512-V537 HydrophobicContact CG2-CG1 3.99Å; T512-V537 HydrophobicContact CG2-CG2 4.15Å; E513-V537 HydrophobicContact CB-CG1 3.9Å; R524-V537 HydrophobicContact CG-CG2 4.35Å; S535-V537 PolarHBondContact O-N 3.11Å; V537-F539 PolarHBondContact O-N 3.5Å; V537-F539 VanDerWaalsContact O-N 3.15Å; V537-L540 HydrophobicContact CB-CD1 4.33Å; V537-L540 HydrophobicContact CG1-CD1 4.45Å; V537-L540 WeakPolarHBondContact O-CB 3.34Å; V537-L540 PolarHBondContact O-N 3.34Å
538	S	90.8	Very high	86.4	Confident	26 Å²	26	53 Å²	53	18%	0.182	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61	-24.6	-179.8	-72.8	0	0	0	0	113.5	I533 S535 L540 A541 N544	I533-S538 PolarHBondContact O-OG 3.19Å; S535-S538 PolarHBondContact N-OG 3.07Å; S535-S538 WeakPolarHBondContact O-CB 3.21Å; S535-S538 PolarHBondContact O-N 3.15Å; S535-S538 PolarHBondContact O-OG 3.31Å; S538-L540 PolarHBondContact O-N 2.9Å; S538-A541 VanDerWaalsContact O-CB 3.23Å; S538-A541 WeakPolarHBondContact O-CB 3.4Å; S538-A541 PolarHBondContact O-N 3.47Å; S538-A541 VanDerWaalsContact O-N 3.08Å; S538-N544 PolarHBondContact O-ND2 3.48Å
539	F	93.7	Very high	86.3	Confident	119 Å²	119	47.3 Å²	47.3	52%	0.522	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.9	-22.1	173	72.2	-85.3	0	0	0	113.5	P536 V537	P536-F539 WeakPolarHBondContact O-CE1 3.33Å; V537-F539 PolarHBondContact O-N 3.5Å; V537-F539 VanDerWaalsContact O-N 3.15Å
540	L	96.1	Very high	86.4	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-90.3	-2.6	173.4	-60.3	171.6	0	0	0	112.6	T512 D516 V522 R524 V537 S538 Q545	T512-L540 HydrophobicContact CG2-CB 4.44Å; T512-L540 HydrophobicContact CG2-CD1 3.69Å; D516-L540 HydrophobicContact CB-CD1 3.74Å; V522-L540 HydrophobicContact CB-CD1 4.5Å; R524-L540 HydrophobicContact CB-CB 4.3Å; R524-L540 WeakPolarHBondContact CB-O 3.29Å; R524-L540 PolarHBondContact N-O 3.08Å; V537-L540 HydrophobicContact CB-CD1 4.33Å; V537-L540 HydrophobicContact CG1-CD1 4.45Å; V537-L540 WeakPolarHBondContact O-CB 3.34Å; V537-L540 PolarHBondContact O-N 3.34Å; S538-L540 PolarHBondContact O-N 2.9Å; L540-Q545 PolarHBondContact O-NE2 2.82Å
541	A	96	Very high	86.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-72.4	134	-176.9	0	0	0	0	0	111.2	R524 S538 H543 N544 Q545	R524-A541 VanDerWaalsContact O-CA 3.27Å; R524-A541 WeakPolarHBondContact O-CA 3.5Å; S538-A541 VanDerWaalsContact O-CB 3.23Å; S538-A541 WeakPolarHBondContact O-CB 3.4Å; S538-A541 PolarHBondContact O-N 3.47Å; S538-A541 VanDerWaalsContact O-N 3.08Å; A541-H543 WeakPolarHBondContact CB-CE1 3.22Å; A541-H543 PolarHBondContact O-N 2.94Å; A541-N544 PolarHBondContact O-N 3.49Å; A541-Q545 PolarHBondContact O-N 3.12Å
542	L	95.6	Very high	86.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-51.6	-39.6	-173.1	178.6	61.9	0	0	0	113	V523 R524 L525 N544 I546 E584 L587 L588	V523-L542 HydrophobicContact CG1-CB 3.9Å; V523-L542 HydrophobicContact CG1-CD1 3.88Å; V523-L542 HydrophobicContact CG1-CG 4.37Å; R524-L542 PolarHBondContact O-N 3.43Å; L525-L542 HydrophobicContact CD1-CB 4.37Å; L525-L542 HydrophobicContact CD1-CD2 3.54Å; L542-N544 PolarHBondContact O-N 2.85Å; L542-I546 HydrophobicContact CD1-CD1 3.99Å; L542-I546 HydrophobicContact CD1-CG1 4.28Å; L542-I546 HydrophobicContact CG-CD1 3.9Å; L542-I546 WeakPolarHBondContact O-CD1 3.39Å; L542-I546 WeakPolarHBondContact O-CG1 3.42Å; L542-I546 PolarHBondContact O-N 3.45Å; L542-E584 HydrophobicContact CD2-CB 4.37Å; L542-E584 HydrophobicContact CD2-CG 4.06Å; L542-L587 HydrophobicContact CD1-CB 3.8Å; L542-L587 HydrophobicContact CD1-CD1 3.83Å; L542-L587 HydrophobicContact CD1-CG 4.49Å; L542-L588 HydrophobicContact CD1-CG 4.38Å; L542-L588 HydrophobicContact CD2-CD1 3.91Å; L542-L588 HydrophobicContact CD2-CD2 4.14Å; L542-L588 HydrophobicContact CD2-CG 4.02Å
543	H	91.4	Very high	87.4	Confident	17 Å²	17	53.6 Å²	53.6	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-38.2	179.4	56.7	-87.6	0	0	0	112.7	E531 A541 I546 S547	E531-H543 HydrophobicContact CG-CB 4.28Å; E531-H543 PolarHBondContact O-NE2 3.4Å; A541-H543 WeakPolarHBondContact CB-CE1 3.22Å; A541-H543 PolarHBondContact O-N 2.94Å; H543-I546 PolarHBondContact O-N 3.16Å; H543-S547 PolarHBondContact O-N 3.27Å; H543-S547 VanDerWaalsContact O-N 3.14Å; H543-S547 PolarHBondContact O-OG 2.87Å
544	N	91.6	Very high	88.1	Confident	51 Å²	51	56.6 Å²	56.6	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-76.4	-37.1	178.3	-66.7	-32.4	0	0	0	112	S538 A541 L542 I546 S547 N548	S538-N544 PolarHBondContact O-ND2 3.48Å; A541-N544 PolarHBondContact O-N 3.49Å; L542-N544 PolarHBondContact O-N 2.85Å; N544-I546 VanDerWaalsContact C-N 3.26Å; N544-I546 PolarHBondContact O-N 3.44Å; N544-S547 PolarHBondContact O-N 3.15Å; N544-N548 PolarHBondContact O-N 3.08Å; N544-N548 VanDerWaalsContact O-N 3.08Å; N544-N548 PolarHBondContact O-ND2 3.45Å
545	Q	93.2	Very high	88.9	Confident	42 Å²	42	48 Å²	48	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-37.1	171.7	-70.6	-178.5	-12.8	0	0	111.7	V522 L540 A541 N548 M549 L587	V522-Q545 PolarHBondContact O-NE2 3.23Å; V522-Q545 VanDerWaalsContact O-NE2 3.09Å; L540-Q545 PolarHBondContact O-NE2 2.82Å; A541-Q545 PolarHBondContact O-N 3.12Å; Q545-N548 PolarHBondContact O-N 2.69Å; Q545-M549 PolarHBondContact O-N 2.8Å; Q545-L587 HydrophobicContact CB-CD1 3.88Å
546	I	90.9	Very high	89.1	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-68.7	-42.1	174.8	-68	165	0	0	0	112.1	L542 H543 N544 N548 M549 L555 K580 A583 E584 L587	L542-I546 HydrophobicContact CD1-CD1 3.99Å; L542-I546 HydrophobicContact CD1-CG1 4.28Å; L542-I546 HydrophobicContact CG-CD1 3.9Å; L542-I546 WeakPolarHBondContact O-CD1 3.39Å; L542-I546 WeakPolarHBondContact O-CG1 3.42Å; L542-I546 PolarHBondContact O-N 3.45Å; H543-I546 PolarHBondContact O-N 3.16Å; N544-I546 VanDerWaalsContact C-N 3.26Å; N544-I546 PolarHBondContact O-N 3.44Å; I546-N548 PolarHBondContact O-N 3.15Å; I546-M549 WeakPolarHBondContact O-CB 3.48Å; I546-M549 PolarHBondContact O-N 3.31Å; I546-L555 HydrophobicContact CG2-CD2 3.6Å; I546-K580 HydrophobicContact CD1-CG 4.48Å; I546-A583 HydrophobicContact CD1-CB 4.47Å; I546-A583 HydrophobicContact CG1-CB 4.04Å; I546-A583 HydrophobicContact CG2-CB 4.01Å; I546-E584 HydrophobicContact CD1-CB 4.26Å; I546-E584 HydrophobicContact CD1-CG 3.4Å; I546-L587 HydrophobicContact CG1-CD1 3.57Å
547	S	85.4	Confident	89.3	Confident	49 Å²	49	51.6 Å²	51.6	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-36.6	176.6	-61	0	0	0	0	111.9	H543 N544 M549	H543-S547 PolarHBondContact O-N 3.27Å; H543-S547 VanDerWaalsContact O-N 3.14Å; H543-S547 PolarHBondContact O-OG 2.87Å; N544-S547 PolarHBondContact O-N 3.15Å; S547-M549 VanDerWaalsContact C-N 3.28Å; S547-M549 PolarHBondContact O-N 2.99Å
548	N	84.5	Confident	89.1	Confident	120 Å²	120	52.1 Å²	52.1	64%	0.642	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	18.5	179.6	-59.9	-14.2	0	0	0	113.3	N544 Q545 I546 D550	N544-N548 PolarHBondContact O-N 3.08Å; N544-N548 VanDerWaalsContact O-N 3.08Å; N544-N548 PolarHBondContact O-ND2 3.45Å; Q545-N548 PolarHBondContact O-N 2.69Å; I546-N548 PolarHBondContact O-N 3.15Å; N548-D550 PolarHBondContact O-N 3.29Å
549	M	82.3	Confident	88.9	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.089	27%	0.274	C	S	.	.			trans	-96.2	84.6	-171.9	-165.8	167	-174.7	0	0	112.6	Q545 I546 S547 S551 M552 A583 E586 L587	Q545-M549 PolarHBondContact O-N 2.8Å; I546-M549 WeakPolarHBondContact O-CB 3.48Å; I546-M549 PolarHBondContact O-N 3.31Å; S547-M549 VanDerWaalsContact C-N 3.28Å; S547-M549 PolarHBondContact O-N 2.99Å; M549-S551 WeakPolarHBondContact CE-OG 3.25Å; M549-S551 WeakPolarHBondContact CG-OG 3.48Å; M549-S551 PolarHBondContact O-N 3.28Å; M549-M552 HydrophobicContact CE-CE 4.29Å; M549-M552 PolarHBondContact O-N 3.36Å; M549-A583 HydrophobicContact SD-CB 3.86Å; M549-E586 HydrophobicContact CE-CB 4.37Å; M549-E586 VanDerWaalsContact CE-CD 3.41Å; M549-E586 HydrophobicContact CE-CG 4.14Å; M549-E586 VanDerWaalsContact CE-OE1 3.26Å; M549-E586 WeakPolarHBondContact CE-OE1 3.23Å; M549-L587 HydrophobicContact CE-CD2 4.24Å; M549-L587 HydrophobicContact CE-CG 4.26Å; M549-L587 HydrophobicContact SD-CD1 3.99Å; M549-L587 HydrophobicContact SD-CD2 4.27Å; M549-L587 HydrophobicContact SD-CG 4.04Å
550	D	81.3	Confident	88.5	Confident	131 Å²	131	52.3 Å²	52.3	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.3	-177.4	-64.5	-28.7	0	0	0	115	N548 M552 Q556	N548-D550 PolarHBondContact O-N 3.29Å; D550-M552 PolarHBondContact O-N 3.36Å; D550-Q556 PolarHBondContact OD1-NE2 3.38Å
551	S	81.9	Confident	88	Confident	80 Å²	80	55 Å²	55	56%	0.559	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.7	173.3	58.7	0	0	0	0	114	M549	M549-S551 WeakPolarHBondContact CE-OG 3.25Å; M549-S551 WeakPolarHBondContact CG-OG 3.48Å; M549-S551 PolarHBondContact O-N 3.28Å
552	M	85.2	Confident	87.3	Confident	27 Å²	27	57.1 Å²	57.1	13%	0.133	30%	0.297	C	S	.	.			trans	-127	68	178.5	-60.4	-157.7	-167.1	0	0	113.2	M549 D550 E554 L555 Q556 T582 A583 E586	M549-M552 HydrophobicContact CE-CE 4.29Å; M549-M552 PolarHBondContact O-N 3.36Å; D550-M552 PolarHBondContact O-N 3.36Å; M552-E554 PolarHBondContact O-N 3.18Å; M552-E554 VanDerWaalsContact O-N 3.14Å; M552-L555 HydrophobicContact CB-CB 3.96Å; M552-L555 WeakPolarHBondContact O-CB 3.48Å; M552-L555 PolarHBondContact O-N 3.33Å; M552-Q556 PolarHBondContact O-N 2.59Å; M552-Q556 VanDerWaalsContact O-N 3.16Å; M552-T582 HydrophobicContact CE-CG2 4.02Å; M552-A583 HydrophobicContact CE-CB 4.13Å; M552-A583 HydrophobicContact SD-CB 3.9Å; M552-E586 WeakPolarHBondContact CE-OE2 3.44Å
553	P	87.7	Confident	86.5	Confident	75 Å²	75	62.2 Å²	62.2	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-21.6	-177.1	26	-35.7	0	0	0	114.3	K557	P553-K557 WeakPolarHBondContact O-CG 3.48Å; P553-K557 PolarHBondContact O-N 2.81Å; P553-K557 VanDerWaalsContact O-N 3.11Å
554	E	89.6	Confident	85.9	Confident	84 Å²	84	67.1 Å²	67.1	39%	0.393	35%	0.348	S	S	.	.	H	α-helix	trans	-69	-36.8	171.2	-165.7	-171.1	163.6	0	0	111.8	M552 L558 R575 L579	M552-E554 PolarHBondContact O-N 3.18Å; M552-E554 VanDerWaalsContact O-N 3.14Å; E554-L558 HydrophobicContact CG-CD1 4.5Å; E554-L558 WeakPolarHBondContact O-CG 3.33Å; E554-L558 PolarHBondContact O-N 2.89Å; E554-L558 VanDerWaalsContact O-N 3.12Å; E554-R575 WeakPolarHBondContact OE1-CG 3.29Å; E554-R575 IonicContact OE1-CZ 3.09Å; E554-R575 IonicContact OE1-NE 3.34Å; E554-R575 PolarHBondContact OE1-NE 2.85Å; E554-R575 IonicContact OE1-NH2 3.57Å; E554-R575 PolarHBondContact OE1-NH2 2.99Å; E554-R575 IonicContact OE2-CZ 3.61Å; E554-R575 IonicContact OE2-NE 3.1Å; E554-R575 IonicContact OE2-NH2 3.86Å; E554-R575 PolarHBondContact OE2-NH2 2.91Å; E554-L579 HydrophobicContact CB-CD1 4.03Å; E554-L579 HydrophobicContact CG-CD1 3.81Å
555	L	89.9	Confident	85.1	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-70.9	-40.3	176.3	-179.3	57	0	0	0	111	I546 M552 L558 Q559 Y576 L579 K580 A583	I546-L555 HydrophobicContact CG2-CD2 3.6Å; M552-L555 HydrophobicContact CB-CB 3.96Å; M552-L555 WeakPolarHBondContact O-CB 3.48Å; M552-L555 PolarHBondContact O-N 3.33Å; L555-L558 PolarHBondContact O-N 2.88Å; L555-Q559 VanDerWaalsContact O-CB 3.31Å; L555-Q559 WeakPolarHBondContact O-CB 3.4Å; L555-Q559 PolarHBondContact O-N 2.85Å; L555-Y576 HydrophobicContact CD1-CD2 3.66Å; L555-Y576 HydrophobicContact CD1-CE2 3.82Å; L555-Y576 HydrophobicContact CD1-CG 4.5Å; L555-L579 HydrophobicContact CB-CB 4.17Å; L555-L579 HydrophobicContact CB-CD1 4.42Å; L555-L579 HydrophobicContact CD1-CB 4.02Å; L555-L579 HydrophobicContact CD2-CB 4.46Å; L555-L579 HydrophobicContact CG-CB 4.45Å; L555-K580 HydrophobicContact CD1-CB 4.13Å; L555-K580 HydrophobicContact CD2-CB 4.48Å; L555-A583 HydrophobicContact CD2-CB 3.9Å
556	Q	86.9	Confident	83.9	Confident	61 Å²	61	69.3 Å²	69.3	29%	0.285	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-46.9	173.3	-71	176.5	-32.6	0	0	111.5	D550 M552 L558 Q559 Q560	D550-Q556 PolarHBondContact OD1-NE2 3.38Å; M552-Q556 PolarHBondContact O-N 2.59Å; M552-Q556 VanDerWaalsContact O-N 3.16Å; Q556-L558 PolarHBondContact O-N 3Å; Q556-Q559 PolarHBondContact O-N 3.31Å; Q556-Q560 WeakPolarHBondContact O-CB 3.37Å; Q556-Q560 PolarHBondContact O-N 3.41Å
557	K	88.9	Confident	83.1	Confident	153 Å²	153	75.9 Å²	75.9	67%	0.665	41%	0.407	S	S	*	.	H	α-helix	trans	-61	-43.1	176.6	-74.6	174.3	177.7	-177.8	0	113.2	P553 Q559 L561	P553-K557 WeakPolarHBondContact O-CG 3.48Å; P553-K557 PolarHBondContact O-N 2.81Å; P553-K557 VanDerWaalsContact O-N 3.11Å; K557-Q559 VanDerWaalsContact C-N 3.35Å; K557-L561 WeakPolarHBondContact O-CB 3.47Å; K557-L561 PolarHBondContact O-N 2.69Å
558	L	87.9	Confident	82.9	Confident	14 Å²	14	74.7 Å²	74.7	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-70.9	-30.3	177.5	-71.7	171	0	0	0	112.6	E554 L555 Q556 K562 D572 R575 Y576 L579	E554-L558 HydrophobicContact CG-CD1 4.5Å; E554-L558 WeakPolarHBondContact O-CG 3.33Å; E554-L558 PolarHBondContact O-N 2.89Å; E554-L558 VanDerWaalsContact O-N 3.12Å; L555-L558 PolarHBondContact O-N 2.88Å; Q556-L558 PolarHBondContact O-N 3Å; L558-K562 VanDerWaalsContact O-CB 3.3Å; L558-K562 WeakPolarHBondContact O-CB 3.45Å; L558-K562 PolarHBondContact O-N 2.76Å; L558-D572 HydrophobicContact CD2-CB 3.9Å; L558-R575 HydrophobicContact CD1-CB 4.21Å; L558-R575 HydrophobicContact CD1-CG 3.9Å; L558-Y576 HydrophobicContact CB-CD2 4.01Å; L558-L579 HydrophobicContact CD1-CD1 3.97Å
559	Q	86.3	Confident	82.9	Confident	35 Å²	35	71.7 Å²	71.7	16%	0.164	39%	0.386	C	S	.	.	H	α-helix	trans	-69.2	-50.1	172.2	-176.4	59.4	61.1	0	0	110.7	L555 Q556 K557 L561 K562 D563 Y576	L555-Q559 VanDerWaalsContact O-CB 3.31Å; L555-Q559 WeakPolarHBondContact O-CB 3.4Å; L555-Q559 PolarHBondContact O-N 2.85Å; Q556-Q559 PolarHBondContact O-N 3.31Å; K557-Q559 VanDerWaalsContact C-N 3.35Å; Q559-L561 PolarHBondContact O-N 2.95Å; Q559-K562 WeakPolarHBondContact O-CB 3.4Å; Q559-K562 PolarHBondContact O-N 3.09Å; Q559-K562 VanDerWaalsContact O-N 3.12Å; Q559-D563 PolarHBondContact NE2-OD1 3.22Å; Q559-D563 PolarHBondContact NE2-OD2 2.91Å; Q559-D563 PolarHBondContact O-N 3.36Å; Q559-Y576 HydrophobicContact CB-CE2 4.23Å; Q559-Y576 VanDerWaalsContact OE1-CE2 3.24Å; Q559-Y576 PolarHBondContact OE1-OH 2.97Å
560	Q	85.6	Confident	82.9	Confident	114 Å²	114	76.2 Å²	76.2	53%	0.533	42%	0.419	S	S	.	.	H	α-helix	trans	-56.7	-49.4	176.3	179.7	-179.3	-5.4	0	0	111.7	Q556 K562 D563 E564	Q556-Q560 WeakPolarHBondContact O-CB 3.37Å; Q556-Q560 PolarHBondContact O-N 3.41Å; Q560-K562 VanDerWaalsContact C-N 3.25Å; Q560-K562 PolarHBondContact O-N 3.31Å; Q560-D563 PolarHBondContact O-N 2.94Å; Q560-D563 VanDerWaalsContact O-N 3.1Å; Q560-E564 HydrophobicContact CG-CG 4.45Å; Q560-E564 VanDerWaalsContact CG-OE1 3.31Å; Q560-E564 WeakPolarHBondContact CG-OE1 3.34Å; Q560-E564 PolarHBondContact NE2-OE1 3.37Å; Q560-E564 WeakPolarHBondContact O-CG 3.47Å; Q560-E564 PolarHBondContact O-N 2.84Å
561	L	85.2	Confident	83.2	Confident	69 Å²	69	73 Å²	73	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-55.5	-44.2	177.1	-179.9	62.5	0	0	0	110.9	K557 Q559 D563 E564 T565 L568	K557-L561 WeakPolarHBondContact O-CB 3.47Å; K557-L561 PolarHBondContact O-N 2.69Å; Q559-L561 PolarHBondContact O-N 2.95Å; L561-D563 PolarHBondContact O-N 3.33Å; L561-E564 PolarHBondContact O-N 3.13Å; L561-T565 HydrophobicContact CD1-CG2 3.91Å; L561-T565 PolarHBondContact O-N 2.89Å; L561-T565 PolarHBondContact O-OG1 3.15Å; L561-L568 HydrophobicContact CB-CD2 4.08Å; L561-L568 HydrophobicContact CD2-CD2 3.75Å; L561-L568 HydrophobicContact CG-CD2 3.77Å
562	K	80.9	Confident	83.6	Confident	44 Å²	44	72 Å²	72	19%	0.191	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-35.4	177.9	-170.5	168.8	-170.7	158.5	0	113.7	L558 Q559 Q560 E564 G566 L568 E573 Y576	L558-K562 VanDerWaalsContact O-CB 3.3Å; L558-K562 WeakPolarHBondContact O-CB 3.45Å; L558-K562 PolarHBondContact O-N 2.76Å; Q559-K562 WeakPolarHBondContact O-CB 3.4Å; Q559-K562 PolarHBondContact O-N 3.09Å; Q559-K562 VanDerWaalsContact O-N 3.12Å; Q560-K562 VanDerWaalsContact C-N 3.25Å; Q560-K562 PolarHBondContact O-N 3.31Å; K562-E564 VanDerWaalsContact C-N 3.34Å; K562-G566 CarbonylContact O-C 3.43Å; K562-G566 WeakPolarHBondContact O-CA 3.31Å; K562-G566 PolarHBondContact O-N 3.13Å; K562-L568 HydrophobicContact CB-CD1 4.09Å; K562-L568 HydrophobicContact CB-CD2 3.98Å; K562-L568 HydrophobicContact CB-CG 3.79Å; K562-L568 HydrophobicContact CD-CD1 3.98Å; K562-L568 HydrophobicContact CD-CG 4.1Å; K562-L568 HydrophobicContact CG-CD1 4.38Å; K562-L568 HydrophobicContact CG-CG 4.02Å; K562-E573 VanDerWaalsContact NZ-CD 3.31Å; K562-E573 IonicContact NZ-OE1 2.81Å; K562-E573 PolarHBondContact NZ-OE1 3.23Å; K562-E573 IonicContact NZ-OE2 2.65Å; K562-E573 PolarHBondContact NZ-OE2 3.02Å; K562-Y576 HydrophobicContact CD-CE1 4.46Å
563	D	79.6	Confident	83.5	Confident	108 Å²	108	72.3 Å²	72.3	58%	0.578	40%	0.4	S	S	*	.	H	α-helix	trans	-78.9	-20.7	177.7	-62	-36.3	0	0	0	112.1	Q559 Q560 L561	Q559-D563 PolarHBondContact NE2-OD1 3.22Å; Q559-D563 PolarHBondContact NE2-OD2 2.91Å; Q559-D563 PolarHBondContact O-N 3.36Å; Q560-D563 PolarHBondContact O-N 2.94Å; Q560-D563 VanDerWaalsContact O-N 3.1Å; L561-D563 PolarHBondContact O-N 3.33Å
564	E	79.7	Confident	83.6	Confident	120 Å²	120	76.5 Å²	76.5	56%	0.561	41%	0.41	S	S	*	.	H	α-helix	trans	-83.9	-42.4	172.7	-72.8	175.3	-170.7	0	0	113.1	Q560 L561 K562	Q560-E564 HydrophobicContact CG-CG 4.45Å; Q560-E564 VanDerWaalsContact CG-OE1 3.31Å; Q560-E564 WeakPolarHBondContact CG-OE1 3.34Å; Q560-E564 PolarHBondContact NE2-OE1 3.37Å; Q560-E564 WeakPolarHBondContact O-CG 3.47Å; Q560-E564 PolarHBondContact O-N 2.84Å; L561-E564 PolarHBondContact O-N 3.13Å; K562-E564 VanDerWaalsContact C-N 3.34Å
565	T	75	Confident	83.7	Confident	85 Å²	85	78.2 Å²	78.2	52%	0.521	41%	0.413	S	S	.	.	H	α-helix	trans	-99	-11.3	-177.2	61.1	0	0	0	0	114.6	L561 E567	L561-T565 HydrophobicContact CD1-CG2 3.91Å; L561-T565 PolarHBondContact O-N 2.89Å; L561-T565 PolarHBondContact O-OG1 3.15Å; T565-E567 PolarHBondContact O-N 2.97Å; T565-E567 PolarHBondContact OG1-O 3.35Å
566	G	67.6	Low	83.7	Confident	54 Å²	54	78.6 Å²	78.6	56%	0.557	41%	0.414	S	S	*	.	S	Bend	trans	76.1	-39.6	-173.9	0	0	0	0	0	114.3	K562	K562-G566 CarbonylContact O-C 3.43Å; K562-G566 WeakPolarHBondContact O-CA 3.31Å; K562-G566 PolarHBondContact O-N 3.13Å
567	E	74.6	Confident	83.8	Confident	145 Å²	145	82.4 Å²	82.4	68%	0.678	43%	0.426	S	S	*	.	S	Bend	trans	-128.2	148.4	178.5	-63	-169.2	177.6	0	0	112	T565	T565-E567 PolarHBondContact O-N 2.97Å; T565-E567 PolarHBondContact OG1-O 3.35Å
568	L	80.3	Confident	83.9	Confident	24 Å²	24	77.4 Å²	77.4	13%	0.126	41%	0.413	C	S	.	.			trans	-103.4	157.5	176.3	-72.9	-179.3	0	0	0	110.9	L561 K562 D572 E573 Y576	L561-L568 HydrophobicContact CB-CD2 4.08Å; L561-L568 HydrophobicContact CD2-CD2 3.75Å; L561-L568 HydrophobicContact CG-CD2 3.77Å; K562-L568 HydrophobicContact CB-CD1 4.09Å; K562-L568 HydrophobicContact CB-CD2 3.98Å; K562-L568 HydrophobicContact CB-CG 3.79Å; K562-L568 HydrophobicContact CD-CD1 3.98Å; K562-L568 HydrophobicContact CD-CG 4.1Å; K562-L568 HydrophobicContact CG-CD1 4.38Å; K562-L568 HydrophobicContact CG-CG 4.02Å; L568-D572 HydrophobicContact CB-CB 4.04Å; L568-D572 HydrophobicContact CD1-CB 4.38Å; L568-D572 HydrophobicContact CD2-CB 4.34Å; L568-D572 HydrophobicContact CG-CB 4.49Å; L568-E573 HydrophobicContact CB-CB 4.04Å; L568-Y576 HydrophobicContact CD1-CD2 4.37Å; L568-Y576 HydrophobicContact CD1-CG 4.03Å
569	S	84.6	Confident	84.2	Confident	58 Å²	58	77.9 Å²	77.9	41%	0.406	42%	0.416	S	S	.	.			trans	-59.7	159.8	170.6	90.6	0	0	0	0	111.5	A571 D572 E573	S569-A571 PolarHBondContact O-N 2.91Å; S569-A571 PolarHBondContact OG-N 3.44Å; S569-D572 VanDerWaalsContact CB-OD2 3.28Å; S569-D572 WeakPolarHBondContact CB-OD2 3.37Å; S569-D572 PolarHBondContact O-N 3.45Å; S569-D572 VanDerWaalsContact O-N 3.13Å; S569-D572 WeakPolarHBondContact OG-CB 3.36Å; S569-D572 VanDerWaalsContact OG-CG 3.22Å; S569-D572 PolarHBondContact OG-N 3.35Å; S569-D572 VanDerWaalsContact OG-N 3.11Å; S569-D572 PolarHBondContact OG-OD2 3.04Å; S569-E573 WeakPolarHBondContact O-CB 3.42Å; S569-E573 PolarHBondContact O-N 2.84Å
570	S	82.4	Confident	84.4	Confident	113 Å²	113	77.6 Å²	77.6	79%	0.79	41%	0.414	S	S	*	.	H	α-helix	trans	-62.9	-26	179.7	60.3	0	0	0	0	113.6	K574	S570-K574 WeakPolarHBondContact O-CB 3.31Å
571	A	88.2	Confident	84.7	Confident	63 Å²	63	80 Å²	80	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-76.9	-45.6	172.1	0	0	0	0	0	111.4	S569 K574 R575	S569-A571 PolarHBondContact O-N 2.91Å; S569-A571 PolarHBondContact OG-N 3.44Å; A571-K574 WeakPolarHBondContact O-CB 3.47Å; A571-K574 PolarHBondContact O-N 3.28Å; A571-R575 PolarHBondContact O-N 3.17Å
572	D	88.8	Confident	85.1	Confident	59 Å²	59	80.3 Å²	80.3	32%	0.316	42%	0.423	S	S	.	.	H	α-helix	trans	-68.8	-42.8	-177.8	-65.4	-49.1	0	0	0	111.9	L558 L568 S569 K574 R575 Y576	L558-D572 HydrophobicContact CD2-CB 3.9Å; L568-D572 HydrophobicContact CB-CB 4.04Å; L568-D572 HydrophobicContact CD1-CB 4.38Å; L568-D572 HydrophobicContact CD2-CB 4.34Å; L568-D572 HydrophobicContact CG-CB 4.49Å; S569-D572 VanDerWaalsContact CB-OD2 3.28Å; S569-D572 WeakPolarHBondContact CB-OD2 3.37Å; S569-D572 PolarHBondContact O-N 3.45Å; S569-D572 VanDerWaalsContact O-N 3.13Å; S569-D572 WeakPolarHBondContact OG-CB 3.36Å; S569-D572 VanDerWaalsContact OG-CG 3.22Å; S569-D572 PolarHBondContact OG-N 3.35Å; S569-D572 VanDerWaalsContact OG-N 3.11Å; S569-D572 PolarHBondContact OG-OD2 3.04Å; D572-K574 VanDerWaalsContact C-N 3.25Å; D572-K574 PolarHBondContact O-N 3.17Å; D572-R575 PolarHBondContact O-N 3.14Å; D572-R575 VanDerWaalsContact O-N 3.14Å; D572-Y576 WeakPolarHBondContact O-CB 3.44Å; D572-Y576 PolarHBondContact O-N 3.49Å
573	E	84.4	Confident	85.7	Confident	33 Å²	33	78.2 Å²	78.2	15%	0.154	41%	0.414	C	S	.	.	H	α-helix	trans	-62.6	-34.1	174.1	-178.9	63.4	-175.3	0	0	111.3	K562 L568 S569 R577	K562-E573 VanDerWaalsContact NZ-CD 3.31Å; K562-E573 IonicContact NZ-OE1 2.81Å; K562-E573 PolarHBondContact NZ-OE1 3.23Å; K562-E573 IonicContact NZ-OE2 2.65Å; K562-E573 PolarHBondContact NZ-OE2 3.02Å; L568-E573 HydrophobicContact CB-CB 4.04Å; S569-E573 WeakPolarHBondContact O-CB 3.42Å; S569-E573 PolarHBondContact O-N 2.84Å; E573-R577 VanDerWaalsContact O-CB 3.26Å; E573-R577 WeakPolarHBondContact O-CB 3.2Å; E573-R577 WeakPolarHBondContact O-CD 3.31Å; E573-R577 WeakPolarHBondContact O-CG 3.2Å; E573-R577 PolarHBondContact O-N 3.1Å; E573-R577 IonicContact OE1-CZ 3.07Å; E573-R577 IonicContact OE1-NE 2.67Å; E573-R577 PolarHBondContact OE1-NE 3.29Å; E573-R577 IonicContact OE1-NH2 3.18Å; E573-R577 PolarHBondContact OE1-NH2 2.97Å
574	K	88.7	Confident	86.4	Confident	164 Å²	164	73.8 Å²	73.8	71%	0.713	39%	0.39	S	S	*	.	H	α-helix	trans	-69.1	-41	173.7	-176.9	-178.7	178.1	-176.8	0	111.4	S570 A571 D572 A578	S570-K574 WeakPolarHBondContact O-CB 3.31Å; A571-K574 WeakPolarHBondContact O-CB 3.47Å; A571-K574 PolarHBondContact O-N 3.28Å; D572-K574 VanDerWaalsContact C-N 3.25Å; D572-K574 PolarHBondContact O-N 3.17Å; K574-A578 PolarHBondContact O-N 2.97Å; K574-A578 VanDerWaalsContact O-N 3.13Å
575	R	91.4	Very high	87.1	Confident	119 Å²	119	75.7 Å²	75.7	45%	0.449	39%	0.392	S	S	.	.	H	α-helix	trans	-69.2	-48.4	177.1	-175.2	61.5	177.5	177.4	3.3	111.7	E554 L558 A571 D572 R577 A578 L579	E554-R575 WeakPolarHBondContact OE1-CG 3.29Å; E554-R575 IonicContact OE1-CZ 3.09Å; E554-R575 IonicContact OE1-NE 3.34Å; E554-R575 PolarHBondContact OE1-NE 2.85Å; E554-R575 IonicContact OE1-NH2 3.57Å; E554-R575 PolarHBondContact OE1-NH2 2.99Å; E554-R575 IonicContact OE2-CZ 3.61Å; E554-R575 IonicContact OE2-NE 3.1Å; E554-R575 IonicContact OE2-NH2 3.86Å; E554-R575 PolarHBondContact OE2-NH2 2.91Å; L558-R575 HydrophobicContact CD1-CB 4.21Å; L558-R575 HydrophobicContact CD1-CG 3.9Å; A571-R575 PolarHBondContact O-N 3.17Å; D572-R575 PolarHBondContact O-N 3.14Å; D572-R575 VanDerWaalsContact O-N 3.14Å; R575-R577 PolarHBondContact O-N 2.89Å; R575-A578 WeakPolarHBondContact O-CA 3.37Å; R575-A578 WeakPolarHBondContact O-CB 3.27Å; R575-A578 PolarHBondContact O-N 2.86Å; R575-L579 HydrophobicContact CG-CD1 4.08Å; R575-L579 WeakPolarHBondContact O-CG 3.46Å; R575-L579 PolarHBondContact O-N 2.86Å
576	Y	89.7	Confident	88	Confident	16 Å²	16	75.1 Å²	75.1	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-52.3	-50	172.2	171.9	-95	0	0	0	111.4	L555 L558 Q559 K562 L568 D572 A578 L579 K580	L555-Y576 HydrophobicContact CD1-CD2 3.66Å; L555-Y576 HydrophobicContact CD1-CE2 3.82Å; L555-Y576 HydrophobicContact CD1-CG 4.5Å; L558-Y576 HydrophobicContact CB-CD2 4.01Å; Q559-Y576 HydrophobicContact CB-CE2 4.23Å; Q559-Y576 VanDerWaalsContact OE1-CE2 3.24Å; Q559-Y576 PolarHBondContact OE1-OH 2.97Å; K562-Y576 HydrophobicContact CD-CE1 4.46Å; L568-Y576 HydrophobicContact CD1-CD2 4.37Å; L568-Y576 HydrophobicContact CD1-CG 4.03Å; D572-Y576 WeakPolarHBondContact O-CB 3.44Å; D572-Y576 PolarHBondContact O-N 3.49Å; Y576-A578 VanDerWaalsContact C-N 3.29Å; Y576-A578 PolarHBondContact O-N 2.88Å; Y576-L579 PolarHBondContact O-N 3.42Å; Y576-K580 HydrophobicContact CE1-CD 4.04Å; Y576-K580 VanDerWaalsContact O-CB 3.26Å; Y576-K580 WeakPolarHBondContact O-CB 3.34Å; Y576-K580 PolarHBondContact O-N 3.02Å; Y576-K580 WeakPolarHBondContact OH-CD 3.37Å; Y576-K580 PolarHBondContact OH-NZ 3.44Å
577	R	89.5	Confident	89.3	Confident	141 Å²	141	74.4 Å²	74.4	53%	0.532	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-31.1	176.5	-75.3	173.6	-172.4	-171.2	9.4	113.3	E573 R575 R581	E573-R577 VanDerWaalsContact O-CB 3.26Å; E573-R577 WeakPolarHBondContact O-CB 3.2Å; E573-R577 WeakPolarHBondContact O-CD 3.31Å; E573-R577 WeakPolarHBondContact O-CG 3.2Å; E573-R577 PolarHBondContact O-N 3.1Å; E573-R577 IonicContact OE1-CZ 3.07Å; E573-R577 IonicContact OE1-NE 2.67Å; E573-R577 PolarHBondContact OE1-NE 3.29Å; E573-R577 IonicContact OE1-NH2 3.18Å; E573-R577 PolarHBondContact OE1-NH2 2.97Å; R575-R577 PolarHBondContact O-N 2.89Å; R577-R581 WeakPolarHBondContact O-CB 3.46Å; R577-R581 VanDerWaalsContact O-CD 3.29Å; R577-R581 WeakPolarHBondContact O-CD 3.4Å; R577-R581 WeakPolarHBondContact O-CG 3.24Å; R577-R581 PolarHBondContact O-N 3.22Å
578	A	92.4	Very high	90.3	Very high	48 Å²	48	67.5 Å²	67.5	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-71.7	-50.4	175.1	0	0	0	0	0	111.2	K574 R575 Y576 R581 T582	K574-A578 PolarHBondContact O-N 2.97Å; K574-A578 VanDerWaalsContact O-N 3.13Å; R575-A578 WeakPolarHBondContact O-CA 3.37Å; R575-A578 WeakPolarHBondContact O-CB 3.27Å; R575-A578 PolarHBondContact O-N 2.86Å; Y576-A578 VanDerWaalsContact C-N 3.29Å; Y576-A578 PolarHBondContact O-N 2.88Å; A578-R581 PolarHBondContact O-N 3.48Å; A578-T582 PolarHBondContact O-N 3.06Å; A578-T582 PolarHBondContact O-OG1 3.08Å
579	L	92.9	Very high	91	Very high	24 Å²	24	71.4 Å²	71.4	13%	0.126	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-46.5	178.6	-68	169.8	0	0	0	112	E554 L555 L558 R575 Y576 R581 T582 A583	E554-L579 HydrophobicContact CB-CD1 4.03Å; E554-L579 HydrophobicContact CG-CD1 3.81Å; L555-L579 HydrophobicContact CB-CB 4.17Å; L555-L579 HydrophobicContact CB-CD1 4.42Å; L555-L579 HydrophobicContact CD1-CB 4.02Å; L555-L579 HydrophobicContact CD2-CB 4.46Å; L555-L579 HydrophobicContact CG-CB 4.45Å; L558-L579 HydrophobicContact CD1-CD1 3.97Å; R575-L579 HydrophobicContact CG-CD1 4.08Å; R575-L579 WeakPolarHBondContact O-CG 3.46Å; R575-L579 PolarHBondContact O-N 2.86Å; Y576-L579 PolarHBondContact O-N 3.42Å; L579-R581 VanDerWaalsContact C-N 3.28Å; L579-R581 PolarHBondContact O-N 3.21Å; L579-T582 WeakPolarHBondContact O-CA 3.44Å; L579-T582 WeakPolarHBondContact O-CB 3.43Å; L579-T582 PolarHBondContact O-N 2.94Å; L579-A583 PolarHBondContact O-N 2.78Å
580	K	91.6	Very high	91.5	Very high	28 Å²	28	73.4 Å²	73.4	12%	0.122	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-38.4	176.7	-174.1	158.6	-178.1	163.9	0	111.9	I546 L555 Y576 T582 A583 E584	I546-K580 HydrophobicContact CD1-CG 4.48Å; L555-K580 HydrophobicContact CD1-CB 4.13Å; L555-K580 HydrophobicContact CD2-CB 4.48Å; Y576-K580 HydrophobicContact CE1-CD 4.04Å; Y576-K580 VanDerWaalsContact O-CB 3.26Å; Y576-K580 WeakPolarHBondContact O-CB 3.34Å; Y576-K580 PolarHBondContact O-N 3.02Å; Y576-K580 WeakPolarHBondContact OH-CD 3.37Å; Y576-K580 PolarHBondContact OH-NZ 3.44Å; K580-T582 VanDerWaalsContact C-N 3.31Å; K580-T582 PolarHBondContact O-N 3.15Å; K580-A583 PolarHBondContact O-N 2.74Å; K580-E584 HydrophobicContact CG-CG 4.29Å; K580-E584 VanDerWaalsContact O-CB 3.29Å; K580-E584 WeakPolarHBondContact O-CB 3.38Å; K580-E584 VanDerWaalsContact O-CG 3.22Å; K580-E584 WeakPolarHBondContact O-CG 3.39Å; K580-E584 PolarHBondContact O-N 3.48Å
581	R	91.9	Very high	92.2	Very high	166 Å²	166	68.3 Å²	68.3	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-27.7	173.7	-76.7	170.1	177.3	173.5	-2.7	113.8	R577 A578 L579 R585	R577-R581 WeakPolarHBondContact O-CB 3.46Å; R577-R581 VanDerWaalsContact O-CD 3.29Å; R577-R581 WeakPolarHBondContact O-CD 3.4Å; R577-R581 WeakPolarHBondContact O-CG 3.24Å; R577-R581 PolarHBondContact O-N 3.22Å; A578-R581 PolarHBondContact O-N 3.48Å; L579-R581 VanDerWaalsContact C-N 3.28Å; L579-R581 PolarHBondContact O-N 3.21Å; R581-R585 WeakPolarHBondContact O-CB 3.49Å; R581-R585 PolarHBondContact O-N 3.33Å
582	T	92.7	Very high	92.7	Very high	74 Å²	74	67.8 Å²	67.8	45%	0.454	31%	0.313	S	S	.	.	H	α-helix	trans	-72.7	-49.4	173.3	-53.5	0	0	0	0	110	M552 A578 L579 K580 R585 E586	M552-T582 HydrophobicContact CE-CG2 4.02Å; A578-T582 PolarHBondContact O-N 3.06Å; A578-T582 PolarHBondContact O-OG1 3.08Å; L579-T582 WeakPolarHBondContact O-CA 3.44Å; L579-T582 WeakPolarHBondContact O-CB 3.43Å; L579-T582 PolarHBondContact O-N 2.94Å; K580-T582 VanDerWaalsContact C-N 3.31Å; K580-T582 PolarHBondContact O-N 3.15Å; T582-R585 PolarHBondContact O-N 3.16Å; T582-R585 VanDerWaalsContact O-N 3.17Å; T582-E586 WeakPolarHBondContact O-CB 3.44Å; T582-E586 PolarHBondContact O-N 3.38Å
583	A	93.4	Very high	93.1	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-44.7	175.6	0	0	0	0	0	112.7	I546 M549 M552 L555 L579 K580 R585 E586 L587	I546-A583 HydrophobicContact CD1-CB 4.47Å; I546-A583 HydrophobicContact CG1-CB 4.04Å; I546-A583 HydrophobicContact CG2-CB 4.01Å; M549-A583 HydrophobicContact SD-CB 3.86Å; M552-A583 HydrophobicContact CE-CB 4.13Å; M552-A583 HydrophobicContact SD-CB 3.9Å; L555-A583 HydrophobicContact CD2-CB 3.9Å; L579-A583 PolarHBondContact O-N 2.78Å; K580-A583 PolarHBondContact O-N 2.74Å; A583-R585 VanDerWaalsContact C-N 3.29Å; A583-R585 PolarHBondContact O-N 2.94Å; A583-E586 PolarHBondContact O-N 3.12Å; A583-L587 WeakPolarHBondContact O-CG 3.43Å; A583-L587 PolarHBondContact O-N 2.88Å
584	E	94.3	Very high	93.8	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-54	-45.9	172.7	-78	179.6	150.2	0	0	110.7	L542 I546 K580 L588 R605	L542-E584 HydrophobicContact CD2-CB 4.37Å; L542-E584 HydrophobicContact CD2-CG 4.06Å; I546-E584 HydrophobicContact CD1-CB 4.26Å; I546-E584 HydrophobicContact CD1-CG 3.4Å; K580-E584 HydrophobicContact CG-CG 4.29Å; K580-E584 VanDerWaalsContact O-CB 3.29Å; K580-E584 WeakPolarHBondContact O-CB 3.38Å; K580-E584 VanDerWaalsContact O-CG 3.22Å; K580-E584 WeakPolarHBondContact O-CG 3.39Å; K580-E584 PolarHBondContact O-N 3.48Å; E584-L588 VanDerWaalsContact O-CB 3.3Å; E584-L588 WeakPolarHBondContact O-CB 3.33Å; E584-L588 VanDerWaalsContact O-CD1 3.27Å; E584-L588 WeakPolarHBondContact O-CD1 3.32Å; E584-L588 WeakPolarHBondContact O-CG 3.34Å; E584-L588 PolarHBondContact O-N 3.2Å; E584-L588 VanDerWaalsContact O-N 3.14Å; E584-R605 WeakPolarHBondContact OE1-CD 3.45Å; E584-R605 IonicContact OE1-NE 2.69Å; E584-R605 IonicContact OE1-NH1 3.37Å; E584-R605 PolarHBondContact OE1-NH1 3.16Å; E584-R605 WeakPolarHBondContact OE2-CD 3.22Å
585	R	93.8	Very high	94.3	Very high	159 Å²	159	55.6 Å²	55.6	60%	0.6	26%	0.256	S	S	*	.	H	α-helix	trans	-68.9	-44.2	179.3	-173.1	-172.8	-53.4	167.3	8.1	112.6	R581 T582 A583 L588 M589	R581-R585 WeakPolarHBondContact O-CB 3.49Å; R581-R585 PolarHBondContact O-N 3.33Å; T582-R585 PolarHBondContact O-N 3.16Å; T582-R585 VanDerWaalsContact O-N 3.17Å; A583-R585 VanDerWaalsContact C-N 3.29Å; A583-R585 PolarHBondContact O-N 2.94Å; R585-L588 PolarHBondContact O-N 3.09Å; R585-M589 HydrophobicContact CG-CE 3.88Å; R585-M589 HydrophobicContact CG-CG 4.13Å; R585-M589 HydrophobicContact CG-SD 3.59Å; R585-M589 VanDerWaalsContact CG-SD 3.59Å; R585-M589 VanDerWaalsContact O-CB 3.3Å; R585-M589 WeakPolarHBondContact O-CB 3.48Å; R585-M589 WeakPolarHBondContact O-CG 3.4Å; R585-M589 PolarHBondContact O-N 3.34Å
586	E	93.9	Very high	94.6	Very high	74 Å²	74	50 Å²	50	35%	0.346	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-49.1	-177.9	-172.8	-179.1	147.3	0	0	111	M549 M552 T582 A583 N590	M549-E586 HydrophobicContact CE-CB 4.37Å; M549-E586 VanDerWaalsContact CE-CD 3.41Å; M549-E586 HydrophobicContact CE-CG 4.14Å; M549-E586 VanDerWaalsContact CE-OE1 3.26Å; M549-E586 WeakPolarHBondContact CE-OE1 3.23Å; M552-E586 WeakPolarHBondContact CE-OE2 3.44Å; T582-E586 WeakPolarHBondContact O-CB 3.44Å; T582-E586 PolarHBondContact O-N 3.38Å; A583-E586 PolarHBondContact O-N 3.12Å; E586-N590 WeakPolarHBondContact CG-ND2 3.37Å; E586-N590 WeakPolarHBondContact O-CB 3.34Å; E586-N590 VanDerWaalsContact O-CG 3.25Å; E586-N590 PolarHBondContact O-N 3.44Å; E586-N590 PolarHBondContact O-ND2 2.86Å; E586-N590 VanDerWaalsContact O-ND2 3.13Å
587	L	95.3	Very high	94.9	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.199	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-43.3	178	-67.4	171.3	0	0	0	112.2	L542 Q545 I546 M549 A583 N590 A591	L542-L587 HydrophobicContact CD1-CB 3.8Å; L542-L587 HydrophobicContact CD1-CD1 3.83Å; L542-L587 HydrophobicContact CD1-CG 4.49Å; Q545-L587 HydrophobicContact CB-CD1 3.88Å; I546-L587 HydrophobicContact CG1-CD1 3.57Å; M549-L587 HydrophobicContact CE-CD2 4.24Å; M549-L587 HydrophobicContact CE-CG 4.26Å; M549-L587 HydrophobicContact SD-CD1 3.99Å; M549-L587 HydrophobicContact SD-CD2 4.27Å; M549-L587 HydrophobicContact SD-CG 4.04Å; A583-L587 WeakPolarHBondContact O-CG 3.43Å; A583-L587 PolarHBondContact O-N 2.88Å; L587-N590 PolarHBondContact O-N 2.63Å; L587-A591 WeakPolarHBondContact O-CB 3.48Å; L587-A591 PolarHBondContact O-N 3.29Å; L587-A591 VanDerWaalsContact O-N 3.14Å
588	L	96.3	Very high	95.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-37.7	179.2	-69.6	168.5	0	0	0	112.5	V523 L542 E584 R585 I594 R605 L606 M609	V523-L588 HydrophobicContact CG1-CD2 3.83Å; L542-L588 HydrophobicContact CD1-CG 4.38Å; L542-L588 HydrophobicContact CD2-CD1 3.91Å; L542-L588 HydrophobicContact CD2-CD2 4.14Å; L542-L588 HydrophobicContact CD2-CG 4.02Å; E584-L588 VanDerWaalsContact O-CB 3.3Å; E584-L588 WeakPolarHBondContact O-CB 3.33Å; E584-L588 VanDerWaalsContact O-CD1 3.27Å; E584-L588 WeakPolarHBondContact O-CD1 3.32Å; E584-L588 WeakPolarHBondContact O-CG 3.34Å; E584-L588 PolarHBondContact O-N 3.2Å; E584-L588 VanDerWaalsContact O-N 3.14Å; R585-L588 PolarHBondContact O-N 3.09Å; L588-I594 HydrophobicContact CB-CD1 4.29Å; L588-I594 HydrophobicContact CD2-CD1 3.85Å; L588-I594 HydrophobicContact CD2-CG1 4.32Å; L588-I594 HydrophobicContact CD2-CG2 4.12Å; L588-R605 HydrophobicContact CD1-CB 4.15Å; L588-L606 HydrophobicContact CD1-CD2 4.2Å; L588-L606 HydrophobicContact CD2-CD2 4.06Å; L588-M609 HydrophobicContact CB-CE 4.27Å; L588-M609 HydrophobicContact CB-SD 3.94Å; L588-M609 WeakPolarHBondContact O-CE 3.49Å
589	M	94.6	Very high	95.5	Very high	105 Å²	105	42.7 Å²	42.7	52%	0.517	20%	0.203	S	C	.	.	H	α-helix	trans	-76.1	-30.2	178.1	-73.1	-176.3	166.4	0	0	113.4	R585 M609	R585-M589 HydrophobicContact CG-CE 3.88Å; R585-M589 HydrophobicContact CG-CG 4.13Å; R585-M589 HydrophobicContact CG-SD 3.59Å; R585-M589 VanDerWaalsContact CG-SD 3.59Å; R585-M589 VanDerWaalsContact O-CB 3.3Å; R585-M589 WeakPolarHBondContact O-CB 3.48Å; R585-M589 WeakPolarHBondContact O-CG 3.4Å; R585-M589 PolarHBondContact O-N 3.34Å; M589-M609 HydrophobicContact CG-CE 4.43Å
590	N	95	Very high	95.7	Very high	100 Å²	100	42.1 Å²	42.1	54%	0.535	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.9	179.3	-65.4	-31.9	0	0	0	113.7	E586 L587	E586-N590 WeakPolarHBondContact CG-ND2 3.37Å; E586-N590 WeakPolarHBondContact O-CB 3.34Å; E586-N590 VanDerWaalsContact O-CG 3.25Å; E586-N590 PolarHBondContact O-N 3.44Å; E586-N590 PolarHBondContact O-ND2 2.86Å; E586-N590 VanDerWaalsContact O-ND2 3.13Å; L587-N590 PolarHBondContact O-N 2.63Å
591	A	97.3	Very high	96	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	20%	0.197	C	C	.	.			trans	-75.4	145	175.6	0	0	0	0	0	111.9	P497 V523 L587 I594	P497-A591 WeakPolarHBondContact CB-O 3.45Å; V523-A591 HydrophobicContact CB-CB 4.35Å; V523-A591 HydrophobicContact CG2-CB 3.64Å; L587-A591 WeakPolarHBondContact O-CB 3.48Å; L587-A591 PolarHBondContact O-N 3.29Å; L587-A591 VanDerWaalsContact O-N 3.14Å; A591-I594 HydrophobicContact CB-CG1 4.03Å
592	D	97.9	Very high	96.2	Very high	52 Å²	52	34.1 Å²	34.1	28%	0.278	18%	0.18	S	C	.	.	S	Bend	trans	-78.4	-34.4	166.5	-70.7	-48.6	0	0	0	110.6	V498 L520 K521	V498-D592 PolarHBondContact N-O 3Å; L520-D592 HydrophobicContact CB-CB 3.97Å; L520-D592 HydrophobicContact CD2-CB 4.09Å; L520-D592 HydrophobicContact CG-CB 4.47Å; K521-D592 HydrophobicContact CB-CB 4.28Å; K521-D592 WeakPolarHBondContact CB-OD2 3.23Å; K521-D592 PolarHBondContact N-OD2 2.67Å; K521-D592 PolarHBondContact O-N 3.03Å
593	V	98.4	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	136.2	-175	-171.9	0	0	0	0	110.7	V487 V498 V500 I515 L520 K521 V522 V523	V487-V593 HydrophobicContact CG1-CB 4.33Å; V487-V593 HydrophobicContact CG1-CG1 3.79Å; V487-V593 HydrophobicContact CG1-CG2 3.5Å; V487-V593 VanDerWaalsContact CG1-CG2 3.5Å; V498-V593 WeakPolarHBondContact O-CA 3.5Å; V500-V593 HydrophobicContact CB-CG1 4.22Å; V500-V593 HydrophobicContact CG2-CG1 3.52Å; I515-V593 HydrophobicContact CD1-CG1 4.31Å; I515-V593 HydrophobicContact CG2-CB 4.2Å; I515-V593 HydrophobicContact CG2-CG1 4.23Å; I515-V593 HydrophobicContact CG2-CG2 3.82Å; L520-V593 HydrophobicContact CD1-CG2 3.91Å; K521-V593 PolarHBondContact O-N 3.19Å; V522-V593 WeakPolarHBondContact CA-O 3.4Å; V523-V593 PolarHBondContact N-O 2.76Å
594	I	98.6	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.6	173.1	-55.4	177.6	0	0	0	108.9	P497 V498 L499 V500 V523 L588 A591 L606 M609 F611	P497-I594 HydrophobicContact CB-CD1 4.1Å; P497-I594 HydrophobicContact CB-CG1 4.12Å; P497-I594 HydrophobicContact CG-CD1 4.3Å; V498-I594 PolarHBondContact O-N 2.98Å; L499-I594 HydrophobicContact CD1-CB 4.37Å; L499-I594 HydrophobicContact CD1-CG2 4.4Å; V500-I594 PolarHBondContact N-O 2.93Å; V523-I594 WeakPolarHBondContact O-CA 3.32Å; L588-I594 HydrophobicContact CB-CD1 4.29Å; L588-I594 HydrophobicContact CD2-CD1 3.85Å; L588-I594 HydrophobicContact CD2-CG1 4.32Å; L588-I594 HydrophobicContact CD2-CG2 4.12Å; A591-I594 HydrophobicContact CB-CG1 4.03Å; I594-L606 HydrophobicContact CD1-CD2 4.23Å; I594-L606 HydrophobicContact CG2-CD2 4.27Å; I594-M609 HydrophobicContact CD1-CE 3.83Å; I594-M609 HydrophobicContact CD1-SD 4.4Å; I594-F611 HydrophobicContact CD1-CE1 3.7Å; I594-F611 HydrophobicContact CD1-CZ 3.87Å
595	C	98.5	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.1	179.8	-65.5	0	0	0	0	110.7	V500 V508 T512 V523 R524 L525	V500-C595 WeakPolarHBondContact O-CA 3.17Å; V508-C595 HydrophobicContact CG1-CB 3.98Å; T512-C595 HydrophobicContact CG2-CB 4.45Å; T512-C595 VanDerWaalsContact OG1-CB 3.23Å; T512-C595 WeakPolarHBondContact OG1-CB 3.42Å; V523-C595 PolarHBondContact O-N 3.07Å; R524-C595 CarbonylContact C-O 3.55Å; R524-C595 WeakPolarHBondContact CA-O 3.48Å; R524-C595 WeakPolarHBondContact CD-O 3.49Å; L525-C595 PolarHBondContact N-O 2.81Å
596	C	97.9	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	173	178.4	66.7	0	0	0	0	111.2	V500 C501 V508 L525	V500-C596 PolarHBondContact O-N 3.01Å; C501-C596 WeakPolarHBondContact CA-O 3.46Å; V508-C596 WeakPolarHBondContact CG2-O 3.35Å; L525-C596 HydrophobicContact CB-CB 4.08Å
597	T	97.1	Very high	96.4	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.135	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	162.4	167.8	54.2	0	0	0	0	110.9	A502 N505 V508 V599 G600 A601	A502-T597 CarbonylContact O-C 3.37Å; A502-T597 WeakPolarHBondContact O-CA 3.23Å; A502-T597 WeakPolarHBondContact O-CB 3.13Å; N505-T597 HydrophobicContact CB-CG2 4.46Å; V508-T597 HydrophobicContact CG2-CG2 3.85Å; T597-V599 PolarHBondContact O-N 3.22Å; T597-G600 CarbonylContact O-C 3.57Å; T597-G600 WeakPolarHBondContact O-CA 3.39Å; T597-G600 PolarHBondContact O-N 2.94Å; T597-G600 WeakPolarHBondContact OG1-CA 3.48Å; T597-G600 PolarHBondContact OG1-N 3.18Å; T597-G600 VanDerWaalsContact OG1-N 3.12Å; T597-A601 PolarHBondContact O-N 3.39Å
598	C	97.6	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-53.8	-55.8	176.7	-63.4	0	0	0	0	111.9	A502 G600 A601 E626 V629	A502-C598 PolarHBondContact O-N 2.91Å; C598-G600 PolarHBondContact O-N 3.42Å; C598-A601 WeakPolarHBondContact O-CB 3.25Å; C598-A601 PolarHBondContact O-N 3.06Å; C598-A601 VanDerWaalsContact O-N 3.11Å; C598-E626 HydrophobicContact CB-CG 3.58Å; C598-V629 WeakPolarHBondContact O-CG1 3.44Å
599	V	96.6	Very high	96.1	Very high	31 Å²	31	38.5 Å²	38.5	19%	0.188	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-34.7	169.4	178.1	0	0	0	0	111.9	R403 T597 A601 G602 E626	R403-V599 WeakPolarHBondContact CD-O 3.49Å; R403-V599 PolarHBondContact NH1-O 2.9Å; T597-V599 PolarHBondContact O-N 3.22Å; V599-A601 VanDerWaalsContact C-N 3.26Å; V599-A601 PolarHBondContact O-N 2.67Å; V599-G602 PolarHBondContact O-N 3.33Å; V599-E626 HydrophobicContact CG2-CG 4.01Å
600	G	96.1	Very high	96.1	Very high	12 Å²	12	38.9 Å²	38.9	12%	0.124	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-25.9	177.3	0	0	0	0	0	114.7	T597 C598 G602 D603	T597-G600 CarbonylContact O-C 3.57Å; T597-G600 WeakPolarHBondContact O-CA 3.39Å; T597-G600 PolarHBondContact O-N 2.94Å; T597-G600 WeakPolarHBondContact OG1-CA 3.48Å; T597-G600 PolarHBondContact OG1-N 3.18Å; T597-G600 VanDerWaalsContact OG1-N 3.12Å; C598-G600 PolarHBondContact O-N 3.42Å; G600-G602 VanDerWaalsContact C-N 3.3Å; G600-G602 PolarHBondContact O-N 3.39Å; G600-D603 WeakPolarHBondContact O-CB 3.42Å; G600-D603 PolarHBondContact O-N 3.01Å
601	A	97.8	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-34	177.3	0	0	0	0	0	112.6	L499 T597 C598 V599 D603 V629 P630 L633	L499-A601 HydrophobicContact CD2-CB 4.34Å; T597-A601 PolarHBondContact O-N 3.39Å; C598-A601 WeakPolarHBondContact O-CB 3.25Å; C598-A601 PolarHBondContact O-N 3.06Å; C598-A601 VanDerWaalsContact O-N 3.11Å; V599-A601 VanDerWaalsContact C-N 3.26Å; V599-A601 PolarHBondContact O-N 2.67Å; A601-D603 PolarHBondContact O-N 3.24Å; A601-V629 HydrophobicContact CB-CG1 4.43Å; A601-P630 HydrophobicContact CB-CB 3.66Å; A601-P630 HydrophobicContact CB-CG 4.48Å; A601-L633 HydrophobicContact CB-CD1 4Å
602	G	96.6	Very high	96.2	Very high	26 Å²	26	38 Å²	38	27%	0.268	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	25.9	173.9	0	0	0	0	0	114.7	R403 V599 G600	R403-G602 WeakPolarHBondContact CD-O 3.39Å; R403-G602 VanDerWaalsContact CZ-C 3.48Å; R403-G602 PolarHBondContact NE-O 3.46Å; R403-G602 VanDerWaalsContact NE-O 3.11Å; R403-G602 VanDerWaalsContact NH1-C 3.33Å; R403-G602 PolarHBondContact NH1-O 2.98Å; V599-G602 PolarHBondContact O-N 3.33Å; G600-G602 VanDerWaalsContact C-N 3.3Å; G600-G602 PolarHBondContact O-N 3.39Å
603	D	96.6	Very high	96.2	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.07	19%	0.194	C	C	.	.			trans	-76.5	136.2	175.6	-169.5	-69.6	0	0	0	110.6	R403 L525 G600 A601 R605 L606 A607	R403-D603 IonicContact NH2-OD2 3.22Å; L525-D603 HydrophobicContact CD2-CB 3.97Å; G600-D603 WeakPolarHBondContact O-CB 3.42Å; G600-D603 PolarHBondContact O-N 3.01Å; A601-D603 PolarHBondContact O-N 3.24Å; D603-R605 PolarHBondContact O-N 2.81Å; D603-R605 VanDerWaalsContact OD1-CB 3.29Å; D603-R605 WeakPolarHBondContact OD1-CB 3.32Å; D603-R605 WeakPolarHBondContact OD1-CG 3.46Å; D603-R605 IonicContact OD1-CZ 3.95Å; D603-R605 PolarHBondContact OD1-N 3.4Å; D603-R605 IonicContact OD1-NE 2.81Å; D603-R605 PolarHBondContact OD1-NE 3.23Å; D603-R605 IonicContact OD1-NH2 2.88Å; D603-R605 IonicContact OD2-CZ 2.75Å; D603-R605 IonicContact OD2-NE 3.18Å; D603-R605 IonicContact OD2-NH2 3.43Å; D603-R605 PolarHBondContact OD2-NH2 3.27Å; D603-L606 PolarHBondContact O-N 3.03Å; D603-A607 PolarHBondContact O-N 3.45Å
604	P	94.7	Very high	96.2	Very high	107 Å²	107	35.8 Å²	35.8	70%	0.695	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.1	178.3	-28.8	36.3	0	0	0	115.5
605	R	95	Very high	96.2	Very high	40 Å²	40	35.8 Å²	35.8	15%	0.151	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.8	172.8	-66.2	170.2	-71.8	-177.6	4.2	113	C526 E531 E584 L588 D603	C526-R605 PolarHBondContact O-NH2 3.41Å; E531-R605 IonicContact OE1-NH1 2.67Å; E584-R605 WeakPolarHBondContact OE1-CD 3.45Å; E584-R605 IonicContact OE1-NE 2.69Å; E584-R605 IonicContact OE1-NH1 3.37Å; E584-R605 PolarHBondContact OE1-NH1 3.16Å; E584-R605 WeakPolarHBondContact OE2-CD 3.22Å; L588-R605 HydrophobicContact CD1-CB 4.15Å; D603-R605 PolarHBondContact O-N 2.81Å; D603-R605 VanDerWaalsContact OD1-CB 3.29Å; D603-R605 WeakPolarHBondContact OD1-CB 3.32Å; D603-R605 WeakPolarHBondContact OD1-CG 3.46Å; D603-R605 IonicContact OD1-CZ 3.95Å; D603-R605 PolarHBondContact OD1-N 3.4Å; D603-R605 IonicContact OD1-NE 2.81Å; D603-R605 PolarHBondContact OD1-NE 3.23Å; D603-R605 IonicContact OD1-NH2 2.88Å; D603-R605 IonicContact OD2-CZ 2.75Å; D603-R605 IonicContact OD2-NE 3.18Å; D603-R605 IonicContact OD2-NH2 3.43Å; D603-R605 PolarHBondContact OD2-NH2 3.27Å
606	L	96.3	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-19.3	177.5	-60.1	-178.3	0	0	0	113.5	L525 L588 I594 D603 K608 M609 F611	L525-L606 HydrophobicContact CD2-CD1 3.47Å; L525-L606 VanDerWaalsContact CD2-CD1 3.47Å; L525-L606 HydrophobicContact CD2-CD2 4.08Å; L525-L606 HydrophobicContact CD2-CG 3.59Å; L588-L606 HydrophobicContact CD1-CD2 4.2Å; L588-L606 HydrophobicContact CD2-CD2 4.06Å; I594-L606 HydrophobicContact CD1-CD2 4.23Å; I594-L606 HydrophobicContact CG2-CD2 4.27Å; D603-L606 PolarHBondContact O-N 3.03Å; L606-K608 PolarHBondContact O-N 2.89Å; L606-M609 HydrophobicContact CD2-SD 3.97Å; L606-M609 WeakPolarHBondContact O-CB 3.46Å; L606-M609 PolarHBondContact O-N 3.4Å; L606-F611 HydrophobicContact CB-CE2 4.5Å; L606-F611 HydrophobicContact CD2-CZ 4.14Å
607	A	89.8	Confident	96.1	Very high	66 Å²	66	36 Å²	36	55%	0.545	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	1.2	-171.6	0	0	0	0	0	116.9	D603	D603-A607 PolarHBondContact O-N 3.45Å
608	K	90.4	Very high	96	Very high	204 Å²	204	35.7 Å²	35.7	89%	0.887	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.5	12.7	170.8	-64	-163.4	175.2	-163.2	0	113.4	L606	L606-K608 PolarHBondContact O-N 2.89Å
609	M	94.8	Very high	95.9	Very high	23 Å²	23	35.7 Å²	35.7	11%	0.113	19%	0.193	C	C	.	.			trans	-101.6	164.3	174.1	-59	-175.5	65.3	0	0	109.7	P497 L588 M589 I594 L606 F611	P497-M609 HydrophobicContact CG-CE 3.99Å; L588-M609 HydrophobicContact CB-CE 4.27Å; L588-M609 HydrophobicContact CB-SD 3.94Å; L588-M609 WeakPolarHBondContact O-CE 3.49Å; M589-M609 HydrophobicContact CG-CE 4.43Å; I594-M609 HydrophobicContact CD1-CE 3.83Å; I594-M609 HydrophobicContact CD1-SD 4.4Å; L606-M609 HydrophobicContact CD2-SD 3.97Å; L606-M609 WeakPolarHBondContact O-CB 3.46Å; L606-M609 PolarHBondContact O-N 3.4Å; M609-F611 HydrophobicContact CB-CE1 4.48Å; M609-F611 HydrophobicContact CB-CE2 3.66Å; M609-F611 HydrophobicContact CB-CZ 3.6Å; M609-F611 HydrophobicContact CE-CE1 4.07Å; M609-F611 HydrophobicContact CE-CZ 3.85Å; M609-F611 HydrophobicContact CG-CZ 4.41Å; M609-F611 HydrophobicContact SD-CZ 4.06Å
610	Q	95.1	Very high	95.8	Very high	113 Å²	113	34.2 Å²	34.2	53%	0.528	18%	0.184	S	C	.	.			trans	-136	128.2	179.7	-72.9	-72.3	-75.1	0	0	108.5	L633 G634	Q610-L633 CarbonylContact C-O 3.47Å; Q610-L633 WeakPolarHBondContact CA-O 3.35Å; Q610-G634 VanDerWaalsContact OE1-CA 3.28Å
611	F	97.6	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.			trans	-117.4	92.3	-171.4	-62	-74.3	0	0	0	109.4	P497 L499 I594 L606 M609 S613 I614 L633	P497-F611 HydrophobicContact CB-CE1 4.21Å; P497-F611 HydrophobicContact CG-CD1 4.31Å; P497-F611 HydrophobicContact CG-CE1 3.84Å; L499-F611 HydrophobicContact CB-CB 3.75Å; L499-F611 HydrophobicContact CB-CD1 3.75Å; L499-F611 HydrophobicContact CB-CD2 4.26Å; L499-F611 HydrophobicContact CB-CE1 4.44Å; L499-F611 HydrophobicContact CB-CG 3.65Å; L499-F611 HydrophobicContact CD1-CE2 4.49Å; L499-F611 HydrophobicContact CD2-CB 4.34Å; L499-F611 HydrophobicContact CD2-CD2 3.91Å; L499-F611 HydrophobicContact CD2-CE2 4.48Å; L499-F611 HydrophobicContact CD2-CG 4.12Å; L499-F611 HydrophobicContact CG-CD2 4.48Å; L499-F611 HydrophobicContact CG-CG 4.34Å; I594-F611 HydrophobicContact CD1-CE1 3.7Å; I594-F611 HydrophobicContact CD1-CZ 3.87Å; L606-F611 HydrophobicContact CB-CE2 4.5Å; L606-F611 HydrophobicContact CD2-CZ 4.14Å; M609-F611 HydrophobicContact CB-CE1 4.48Å; M609-F611 HydrophobicContact CB-CE2 3.66Å; M609-F611 HydrophobicContact CB-CZ 3.6Å; M609-F611 HydrophobicContact CE-CE1 4.07Å; M609-F611 HydrophobicContact CE-CZ 3.85Å; M609-F611 HydrophobicContact CG-CZ 4.41Å; M609-F611 HydrophobicContact SD-CZ 4.06Å; F611-S613 PolarHBondContact O-N 3Å; F611-I614 HydrophobicContact CB-CD1 4.1Å; F611-I614 HydrophobicContact CB-CG1 3.99Å; F611-I614 WeakPolarHBondContact O-CG1 3.44Å; F611-L633 HydrophobicContact CD2-CB 3.87Å; F611-L633 HydrophobicContact CD2-CD1 4.1Å; F611-L633 HydrophobicContact CE2-CD1 4.26Å; F611-L633 PolarHBondContact N-O 2.99Å
612	R	96.6	Very high	95.5	Very high	88 Å²	88	35.2 Å²	35.2	33%	0.332	19%	0.185	S	C	.	.	S	Bend	trans	-53.3	-43.2	179.1	-177.5	-164.7	165.2	80.4	12.1	111.5	K636 Q637	R612-K636 HydrophobicContact CG-CB 4.01Å; R612-K636 HydrophobicContact CG-CG 4.37Å; R612-K636 CarbonylContact O-C 3.53Å; R612-K636 WeakPolarHBondContact O-CA 3.24Å; R612-K636 PolarHBondContact O-N 3.2Å; R612-Q637 PolarHBondContact O-N 2.96Å
613	S	98.1	Very high	95.5	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.4	-174.7	-61.4	0	0	0	0	109.9	L499 F611 Q637	L499-S613 PolarHBondContact N-O 3.07Å; L499-S613 VanDerWaalsContact N-O 3.17Å; F611-S613 PolarHBondContact O-N 3Å; S613-Q637 WeakPolarHBondContact CA-O 3.28Å
614	I	98.6	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.1	-175	-50	-170.8	0	0	0	109.3	L499 F611 I616 P630 A635 Q637 L638 I639	L499-I614 HydrophobicContact CB-CG1 4.27Å; L499-I614 HydrophobicContact CB-CG2 4.32Å; L499-I614 HydrophobicContact CD2-CD1 4.25Å; L499-I614 HydrophobicContact CD2-CG2 4.26Å; L499-I614 HydrophobicContact CG-CG2 4.44Å; L499-I614 WeakPolarHBondContact O-CA 3.26Å; F611-I614 HydrophobicContact CB-CD1 4.1Å; F611-I614 HydrophobicContact CB-CG1 3.99Å; F611-I614 WeakPolarHBondContact O-CG1 3.44Å; I614-I616 HydrophobicContact CG2-CG1 4.27Å; I614-P630 WeakPolarHBondContact CD1-O 3.33Å; I614-P630 HydrophobicContact CG2-CB 4.32Å; I614-A635 HydrophobicContact CD1-CB 3.84Å; I614-A635 HydrophobicContact CG1-CB 4.39Å; I614-Q637 PolarHBondContact N-O 2.82Å; I614-L638 HydrophobicContact CB-CD1 4.1Å; I614-L638 HydrophobicContact CG2-CD1 4.21Å; I614-L638 WeakPolarHBondContact O-CA 3.48Å; I614-I639 VanDerWaalsContact O-CD1 3.26Å; I614-I639 WeakPolarHBondContact O-CD1 3.35Å; I614-I639 PolarHBondContact O-N 2.86Å
615	L	98.7	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.9	171.3	-174.2	147.4	0	0	0	110.3	I486 V487 L499 V500 C501 L511 D617 I639 V641	I486-L615 HydrophobicContact CB-CD1 4.23Å; I486-L615 HydrophobicContact CG2-CD1 3.98Å; V487-L615 HydrophobicContact CG2-CB 4.33Å; V487-L615 HydrophobicContact CG2-CD1 4.27Å; L499-L615 PolarHBondContact O-N 3.43Å; V500-L615 WeakPolarHBondContact CA-O 3.34Å; C501-L615 PolarHBondContact N-O 2.67Å; L511-L615 HydrophobicContact CD2-CD2 4.08Å; L615-D617 HydrophobicContact CD2-CB 4.12Å; L615-I639 CarbonylContact C-O 3.35Å; L615-I639 WeakPolarHBondContact CA-O 3.47Å; L615-I639 HydrophobicContact CB-CB 4.23Å; L615-I639 HydrophobicContact CD1-CB 4.05Å; L615-I639 HydrophobicContact CD1-CG2 3.94Å; L615-I639 HydrophobicContact CG-CB 4.03Å; L615-I639 HydrophobicContact CG-CG2 4.24Å; L615-V641 HydrophobicContact CD1-CG2 4.23Å; L615-V641 HydrophobicContact CD2-CG2 4.36Å; L615-V641 HydrophobicContact CG-CG2 4.24Å
616	I	98.4	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.6	175.1	-46.6	-175.7	0	0	0	108.5	C501 I614 P630 V631 L638 I639 L640 V641	C501-I616 HydrophobicContact CB-CG1 4.32Å; C501-I616 HydrophobicContact CB-CG2 4.34Å; C501-I616 CarbonylContact O-C 3.54Å; C501-I616 WeakPolarHBondContact O-CA 3.29Å; I614-I616 HydrophobicContact CG2-CG1 4.27Å; I616-P630 HydrophobicContact CD1-CG 3.67Å; I616-P630 HydrophobicContact CG1-CG 4.39Å; I616-V631 HydrophobicContact CD1-CG2 4.12Å; I616-L638 HydrophobicContact CD1-CD1 4.35Å; I616-L638 HydrophobicContact CG1-CD1 4.41Å; I616-I639 PolarHBondContact N-O 3.14Å; I616-L640 HydrophobicContact CB-CD2 3.93Å; I616-L640 HydrophobicContact CD1-CD2 3.76Å; I616-L640 HydrophobicContact CG1-CD2 3.96Å; I616-V641 PolarHBondContact O-N 3.42Å
617	D	95.9	Very high	96	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	153.7	176	-150	-25.5	0	0	0	111.4	S483 C501 A502 L511 L615 S619 V641	S483-D617 WeakPolarHBondContact CB-OD2 3.28Å; S483-D617 PolarHBondContact OG-OD2 3.39Å; C501-D617 PolarHBondContact O-N 3.21Å; A502-D617 WeakPolarHBondContact CA-O 3.38Å; A502-D617 WeakPolarHBondContact CB-O 3.3Å; L511-D617 HydrophobicContact CD2-CB 3.76Å; L615-D617 HydrophobicContact CD2-CB 4.12Å; D617-S619 PolarHBondContact O-N 2.93Å; D617-S619 VanDerWaalsContact O-N 3.14Å; D617-V641 CarbonylContact C-O 3.6Å; D617-V641 HydrophobicContact CB-CB 4.44Å; D617-V641 WeakPolarHBondContact OD1-CG1 3.48Å
618	E	94.3	Very high	96.4	Very high	17 Å²	17	25.5 Å²	25.5	8%	0.079	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	34.5	-164.7	-66.1	-74	143.9	0	0	113.5	K479 A507 T620 Q621 V641 Q811	K479-E618 WeakPolarHBondContact CE-OE1 3.27Å; K479-E618 IonicContact NZ-OE1 3.29Å; K479-E618 PolarHBondContact NZ-OE1 2.78Å; K479-E618 IonicContact NZ-OE2 3.57Å; A507-E618 HydrophobicContact CB-CG 4.38Å; E618-T620 PolarHBondContact O-N 3.22Å; E618-Q621 HydrophobicContact CB-CG 4.29Å; E618-Q621 VanDerWaalsContact CB-NE2 3.34Å; E618-Q621 WeakPolarHBondContact O-CB 3.46Å; E618-Q621 PolarHBondContact O-N 2.75Å; E618-Q621 PolarHBondContact OE2-NE2 3.33Å; E618-V641 PolarHBondContact N-O 2.82Å; E618-Q811 PolarHBondContact OE2-NE2 3.18Å
619	S	96	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-57.5	-19.4	-177.9	56.7	0	0	0	0	114.8	D617 Q621 A622 V641	D617-S619 PolarHBondContact O-N 2.93Å; D617-S619 VanDerWaalsContact O-N 3.14Å; S619-Q621 VanDerWaalsContact C-N 3.31Å; S619-A622 PolarHBondContact O-N 3.32Å; S619-V641 PolarHBondContact N-O 2.97Å; S619-V641 PolarHBondContact OG-N 2.85Å; S619-V641 PolarHBondContact OG-O 2.88Å
620	T	94.1	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-72.5	-18.7	172.8	47.1	0	0	0	0	113.7	E618 A622 D643 H644 G648 P649 F666	E618-T620 PolarHBondContact O-N 3.22Å; T620-A622 VanDerWaalsContact C-N 3.32Å; T620-D643 PolarHBondContact OG1-N 3.2Å; T620-D643 PolarHBondContact OG1-O 3.4Å; T620-H644 HydrophobicContact CG2-CB 4.39Å; T620-G648 VanDerWaalsContact O-CA 3.29Å; T620-G648 WeakPolarHBondContact O-CA 3.43Å; T620-P649 WeakPolarHBondContact O-CD 3.34Å; T620-F666 HydrophobicContact CG2-CB 3.7Å; T620-F666 HydrophobicContact CG2-CD1 3.51Å; T620-F666 HydrophobicContact CG2-CD2 4.33Å; T620-F666 HydrophobicContact CG2-CE1 4.19Å; T620-F666 HydrophobicContact CG2-CG 3.6Å
621	Q	92.4	Very high	97.1	Very high	33 Å²	33	9.5 Å²	9.5	15%	0.154	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-79.6	-11.5	173	-66.4	177.4	35.1	0	0	113.3	P503 E618 S619 P649 Q811	P503-Q621 HydrophobicContact CG-CB 3.65Å; E618-Q621 HydrophobicContact CB-CG 4.29Å; E618-Q621 VanDerWaalsContact CB-NE2 3.34Å; E618-Q621 WeakPolarHBondContact O-CB 3.46Å; E618-Q621 PolarHBondContact O-N 2.75Å; E618-Q621 PolarHBondContact OE2-NE2 3.33Å; S619-Q621 VanDerWaalsContact C-N 3.31Å; Q621-P649 VanDerWaalsContact O-CA 3.25Å; Q621-P649 WeakPolarHBondContact O-CA 3.43Å; Q621-P649 WeakPolarHBondContact O-CB 3.37Å; Q621-Q811 VanDerWaalsContact CD-CD 3.4Å; Q621-Q811 VanDerWaalsContact NE2-NE2 3.11Å
622	A	95.1	Very high	97.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-97	148.6	-175.1	0	0	0	0	0	111.1	P503 S619 T620 E626 C627 S664	P503-A622 HydrophobicContact CB-CB 4Å; P503-A622 HydrophobicContact CG-CB 4.01Å; S619-A622 PolarHBondContact O-N 3.32Å; T620-A622 VanDerWaalsContact C-N 3.32Å; A622-E626 WeakPolarHBondContact CA-OE2 3.33Å; A622-E626 HydrophobicContact CB-CB 4.36Å; A622-E626 HydrophobicContact CB-CG 4.16Å; A622-C627 WeakPolarHBondContact CB-SG 3.24Å; A622-S664 WeakPolarHBondContact O-CB 3.06Å
623	T	97.3	Very high	97.2	Very high	16 Å²	16	6.9 Å²	6.9	10%	0.098	4%	0.036	C	C	.	.			trans	-68.2	157.5	165.9	65.8	0	0	0	0	109.4	E626 C627 P649 V651 L661	T623-E626 WeakPolarHBondContact O-CB 3.18Å; T623-E626 PolarHBondContact O-N 3Å; T623-E626 WeakPolarHBondContact OG1-CB 3.42Å; T623-E626 PolarHBondContact OG1-N 3.48Å; T623-C627 PolarHBondContact O-N 2.83Å; T623-C627 PolarHBondContact O-SG 2.81Å; T623-P649 HydrophobicContact CG2-CB 3.74Å; T623-P649 HydrophobicContact CG2-CG 4.24Å; T623-V651 HydrophobicContact CG2-CG2 4.15Å; T623-L661 HydrophobicContact CG2-CD1 4.45Å; T623-L661 HydrophobicContact CG2-CG 4.36Å
624	E	97.9	Very high	97.1	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-59.4	-45.4	176.3	171.6	154.3	-177.8	0	0	113.3	Y283 F287 E626 C627 M628 L665 R668	Y283-E624 VanDerWaalsContact CE2-OE1 3.23Å; Y283-E624 WeakPolarHBondContact CE2-OE1 3.23Å; Y283-E624 WeakPolarHBondContact OH-CG 3.44Å; Y283-E624 PolarHBondContact OH-OE1 3.35Å; F287-E624 HydrophobicContact CE1-CB 4.1Å; F287-E624 HydrophobicContact CE1-CG 4.33Å; F287-E624 HydrophobicContact CE2-CG 4.14Å; F287-E624 HydrophobicContact CZ-CB 3.97Å; F287-E624 HydrophobicContact CZ-CG 3.81Å; E624-E626 VanDerWaalsContact C-N 3.29Å; E624-E626 PolarHBondContact O-N 2.88Å; E624-C627 WeakPolarHBondContact O-CB 3.33Å; E624-C627 PolarHBondContact O-N 3Å; E624-C627 VanDerWaalsContact O-N 3.12Å; E624-M628 WeakPolarHBondContact O-CG 3.43Å; E624-M628 PolarHBondContact O-N 2.85Å; E624-L665 HydrophobicContact CB-CB 4.13Å; E624-L665 HydrophobicContact CG-CB 3.99Å; E624-L665 HydrophobicContact CG-CD1 4.2Å; E624-L665 WeakPolarHBondContact OE1-CD1 3.3Å; E624-R668 IonicContact OE1-CZ 3.9Å; E624-R668 VanDerWaalsContact OE1-CZ 3.31Å; E624-R668 IonicContact OE1-NE 3.69Å; E624-R668 PolarHBondContact OE1-NE 3.18Å; E624-R668 IonicContact OE1-NH2 3.6Å; E624-R668 PolarHBondContact OE1-NH2 3.3Å; E624-R668 IonicContact OE2-CZ 2.73Å; E624-R668 IonicContact OE2-NE 3.5Å; E624-R668 PolarHBondContact OE2-NE 3.05Å; E624-R668 IonicContact OE2-NH2 2.83Å
625	P	98.3	Very high	97	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61	-31.5	172.5	-27.3	38	0	0	0	114.4	F287 V291 M404 L408 M628 L661	F287-P625 HydrophobicContact CB-CG 3.98Å; F287-P625 HydrophobicContact CD1-CG 3.52Å; F287-P625 HydrophobicContact CE1-CG 4.22Å; F287-P625 HydrophobicContact CG-CG 3.92Å; V291-P625 HydrophobicContact CG2-CB 3.64Å; V291-P625 HydrophobicContact CG2-CG 3.61Å; M404-P625 HydrophobicContact CB-CB 4.06Å; M404-P625 HydrophobicContact CG-CB 4.26Å; M404-P625 HydrophobicContact SD-CB 4.11Å; L408-P625 HydrophobicContact CD1-CB 4.36Å; L408-P625 HydrophobicContact CD2-CB 4.32Å; L408-P625 HydrophobicContact CD2-CG 4.45Å; L408-P625 HydrophobicContact CG-CB 4.44Å; P625-M628 PolarHBondContact O-N 2.81Å; P625-L661 HydrophobicContact CG-CD1 4.04Å
626	E	98.4	Very high	96.9	Very high	31 Å²	31	11.3 Å²	11.3	15%	0.145	6%	0.055	C	C	.	.	H	α-helix	trans	-67.9	-41.9	172.5	176.5	177.4	-163.6	0	0	111.7	M404 C598 V599 A622 T623 E624 M628 V629	M404-E626 HydrophobicContact SD-CB 3.85Å; C598-E626 HydrophobicContact CB-CG 3.58Å; V599-E626 HydrophobicContact CG2-CG 4.01Å; A622-E626 WeakPolarHBondContact CA-OE2 3.33Å; A622-E626 HydrophobicContact CB-CB 4.36Å; A622-E626 HydrophobicContact CB-CG 4.16Å; T623-E626 WeakPolarHBondContact O-CB 3.18Å; T623-E626 PolarHBondContact O-N 3Å; T623-E626 WeakPolarHBondContact OG1-CB 3.42Å; T623-E626 PolarHBondContact OG1-N 3.48Å; E624-E626 VanDerWaalsContact C-N 3.29Å; E624-E626 PolarHBondContact O-N 2.88Å; E626-M628 PolarHBondContact O-N 3.35Å; E626-V629 PolarHBondContact O-N 2.91Å
627	C	98.2	Very high	96.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.9	-32.5	174.1	-71.4	0	0	0	0	112.2	A622 T623 E624 V629 P630 V631 L665	A622-C627 WeakPolarHBondContact CB-SG 3.24Å; T623-C627 PolarHBondContact O-N 2.83Å; T623-C627 PolarHBondContact O-SG 2.81Å; E624-C627 WeakPolarHBondContact O-CB 3.33Å; E624-C627 PolarHBondContact O-N 3Å; E624-C627 VanDerWaalsContact O-N 3.12Å; C627-V629 VanDerWaalsContact C-N 3.32Å; C627-V629 PolarHBondContact O-N 2.82Å; C627-P630 VanDerWaalsContact O-CD 3.26Å; C627-P630 WeakPolarHBondContact O-CD 3.48Å; C627-P630 WeakPolarHBondContact O-CG 3.29Å; C627-V631 VanDerWaalsContact O-CG2 3.25Å; C627-V631 WeakPolarHBondContact O-CG2 3.29Å; C627-L665 HydrophobicContact CB-CB 4.06Å; C627-L665 HydrophobicContact CB-CD2 3.88Å
628	M	98.4	Very high	97	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-70.5	-23.9	-179.4	-70.5	-59	-72.6	0	0	113.7	Y283 A407 F411 L426 E624 P625 E626 V631 V632 L665	Y283-M628 HydrophobicContact CE1-CG 4.45Å; Y283-M628 WeakPolarHBondContact OH-CG 3.23Å; A407-M628 HydrophobicContact CB-CB 4.48Å; F411-M628 HydrophobicContact CB-CE 4.05Å; F411-M628 HydrophobicContact CD1-CE 3.91Å; F411-M628 HydrophobicContact CD2-CE 3.46Å; F411-M628 VanDerWaalsContact CD2-CE 3.46Å; F411-M628 HydrophobicContact CE1-CE 4.2Å; F411-M628 HydrophobicContact CE2-CE 3.78Å; F411-M628 HydrophobicContact CG-CE 3.53Å; F411-M628 HydrophobicContact CZ-CE 4.14Å; L426-M628 HydrophobicContact CD1-CE 4Å; L426-M628 HydrophobicContact CD1-SD 4.08Å; E624-M628 WeakPolarHBondContact O-CG 3.43Å; E624-M628 PolarHBondContact O-N 2.85Å; P625-M628 PolarHBondContact O-N 2.81Å; E626-M628 PolarHBondContact O-N 3.35Å; M628-V631 HydrophobicContact CE-CG1 4.24Å; M628-V631 PolarHBondContact O-N 2.86Å; M628-V631 HydrophobicContact SD-CB 4.17Å; M628-V631 HydrophobicContact SD-CG1 4.08Å; M628-V632 HydrophobicContact CE-CG1 4.16Å; M628-V632 PolarHBondContact O-N 3.36Å; M628-V632 VanDerWaalsContact O-N 3.14Å; M628-L665 HydrophobicContact SD-CD2 4.47Å
629	V	98.5	Very high	97.2	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.024	5%	0.05	C	C	.	.	H	α-helix	trans	-54.9	-48.2	-179	-177.3	0	0	0	0	113.7	R403 M404 A407 C598 A601 E626 C627	R403-V629 HydrophobicContact CB-CG1 4.31Å; R403-V629 HydrophobicContact CB-CG2 4.48Å; M404-V629 HydrophobicContact CG-CG2 3.97Å; A407-V629 HydrophobicContact CB-CB 4.4Å; A407-V629 HydrophobicContact CB-CG2 4.02Å; C598-V629 WeakPolarHBondContact O-CG1 3.44Å; A601-V629 HydrophobicContact CB-CG1 4.43Å; E626-V629 PolarHBondContact O-N 2.91Å; C627-V629 VanDerWaalsContact C-N 3.32Å; C627-V629 PolarHBondContact O-N 2.82Å
630	P	98.4	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-74.8	-33.4	170.1	26.9	-35	0	0	0	113.9	L499 C501 A601 I614 I616 C627 V632 L633	L499-P630 HydrophobicContact CD2-CB 3.78Å; C501-P630 HydrophobicContact CB-CG 4.35Å; A601-P630 HydrophobicContact CB-CB 3.66Å; A601-P630 HydrophobicContact CB-CG 4.48Å; I614-P630 WeakPolarHBondContact CD1-O 3.33Å; I614-P630 HydrophobicContact CG2-CB 4.32Å; I616-P630 HydrophobicContact CD1-CG 3.67Å; I616-P630 HydrophobicContact CG1-CG 4.39Å; C627-P630 VanDerWaalsContact O-CD 3.26Å; C627-P630 WeakPolarHBondContact O-CD 3.48Å; C627-P630 WeakPolarHBondContact O-CG 3.29Å; P630-V632 VanDerWaalsContact C-N 3.33Å; P630-V632 PolarHBondContact O-N 3.27Å; P630-L633 WeakPolarHBondContact O-CB 3.46Å; P630-L633 WeakPolarHBondContact O-CG 3.42Å; P630-L633 PolarHBondContact O-N 2.79Å
631	V	98.4	Very high	97.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.5	-38	-172.1	171.4	0	0	0	0	112.4	V418 L426 I616 C627 M628 L633 A635 L638	V418-V631 HydrophobicContact CG1-CG1 3.75Å; L426-V631 HydrophobicContact CD1-CG1 4.16Å; I616-V631 HydrophobicContact CD1-CG2 4.12Å; C627-V631 VanDerWaalsContact O-CG2 3.25Å; C627-V631 WeakPolarHBondContact O-CG2 3.29Å; M628-V631 HydrophobicContact CE-CG1 4.24Å; M628-V631 PolarHBondContact O-N 2.86Å; M628-V631 HydrophobicContact SD-CB 4.17Å; M628-V631 HydrophobicContact SD-CG1 4.08Å; V631-L633 PolarHBondContact O-N 2.8Å; V631-L633 VanDerWaalsContact O-N 3.09Å; V631-A635 HydrophobicContact CG1-CB 4.28Å; V631-A635 WeakPolarHBondContact O-CB 3.15Å; V631-A635 PolarHBondContact O-N 3.46Å; V631-L638 HydrophobicContact CG1-CD2 4.16Å; V631-L638 HydrophobicContact CG2-CD1 3.88Å; V631-L638 HydrophobicContact CG2-CD2 3.73Å; V631-L638 HydrophobicContact CG2-CG 4.48Å
632	V	97.9	Very high	97.6	Very high	11 Å²	11	8.9 Å²	8.9	7%	0.067	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	4.2	179.7	-60.4	0	0	0	0	114.7	A407 T410 F411 S417 M628 P630 G634	A407-V632 HydrophobicContact CB-CG2 3.96Å; T410-V632 HydrophobicContact CG2-CB 3.9Å; T410-V632 HydrophobicContact CG2-CG2 4.18Å; F411-V632 HydrophobicContact CB-CG1 3.86Å; S417-V632 WeakPolarHBondContact CA-O 3.3Å; S417-V632 VanDerWaalsContact CB-O 3.31Å; S417-V632 WeakPolarHBondContact CB-O 3.38Å; S417-V632 CarbonylContact O-C 3.59Å; S417-V632 VanDerWaalsContact O-C 3.28Å; S417-V632 WeakPolarHBondContact O-CA 3.37Å; M628-V632 HydrophobicContact CE-CG1 4.16Å; M628-V632 PolarHBondContact O-N 3.36Å; M628-V632 VanDerWaalsContact O-N 3.14Å; P630-V632 VanDerWaalsContact C-N 3.33Å; P630-V632 PolarHBondContact O-N 3.27Å; V632-G634 PolarHBondContact O-N 3.19Å
633	L	97.6	Very high	97.4	Very high	21 Å²	21	8.9 Å²	8.9	11%	0.11	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	33.6	177.7	-54.6	177.7	0	0	0	112.7	L499 A601 Q610 F611 P630 V631	L499-L633 HydrophobicContact CD2-CD1 3.98Å; A601-L633 HydrophobicContact CB-CD1 4Å; Q610-L633 CarbonylContact C-O 3.47Å; Q610-L633 WeakPolarHBondContact CA-O 3.35Å; F611-L633 HydrophobicContact CD2-CB 3.87Å; F611-L633 HydrophobicContact CD2-CD1 4.1Å; F611-L633 HydrophobicContact CE2-CD1 4.26Å; F611-L633 PolarHBondContact N-O 2.99Å; P630-L633 WeakPolarHBondContact O-CB 3.46Å; P630-L633 WeakPolarHBondContact O-CG 3.42Å; P630-L633 PolarHBondContact O-N 2.79Å; V631-L633 PolarHBondContact O-N 2.8Å; V631-L633 VanDerWaalsContact O-N 3.09Å
634	G	95.9	Very high	97	Very high	2 Å²	2	8.4 Å²	8.4	2%	0.021	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	27.6	174.1	0	0	0	0	0	115.3	S417 Q610 V632 K636	S417-G634 CarbonylContact O-C 3.56Å; S417-G634 WeakPolarHBondContact O-CA 3.39Å; S417-G634 PolarHBondContact O-N 2.9Å; Q610-G634 VanDerWaalsContact OE1-CA 3.28Å; V632-G634 PolarHBondContact O-N 3.19Å; G634-K636 WeakPolarHBondContact O-CG 3.32Å; G634-K636 PolarHBondContact O-N 2.92Å
635	A	97.5	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-61.4	124.8	-171.3	0	0	0	0	0	113.5	S417 V418 S419 I422 I614 V631	S417-A635 PolarHBondContact O-N 2.68Å; V418-A635 CarbonylContact C-O 3.6Å; V418-A635 HydrophobicContact CG1-CB 4.44Å; S419-A635 PolarHBondContact N-O 3.15Å; S419-A635 PolarHBondContact OG-O 3.02Å; I422-A635 HydrophobicContact CD1-CB 4.26Å; I614-A635 HydrophobicContact CD1-CB 3.84Å; I614-A635 HydrophobicContact CG1-CB 4.39Å; V631-A635 HydrophobicContact CG1-CB 4.28Å; V631-A635 WeakPolarHBondContact O-CB 3.15Å; V631-A635 PolarHBondContact O-N 3.46Å
636	K	96.8	Very high	96	Very high	98 Å²	98	8.7 Å²	8.7	43%	0.426	4%	0.041	S	C	.	.	S	Bend	trans	-124.9	-9.8	173.1	-42.8	-165.4	179.4	-175.9	0	112.9	R612 G634	R612-K636 HydrophobicContact CG-CB 4.01Å; R612-K636 HydrophobicContact CG-CG 4.37Å; R612-K636 CarbonylContact O-C 3.53Å; R612-K636 WeakPolarHBondContact O-CA 3.24Å; R612-K636 PolarHBondContact O-N 3.2Å; G634-K636 WeakPolarHBondContact O-CG 3.32Å; G634-K636 PolarHBondContact O-N 2.92Å
637	Q	97.7	Very high	95.3	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	108.9	167.6	-172.9	164.2	22.8	0	0	109	I436 V463 L464 R466 P467 R612 S613 I614 I639	I436-Q637 HydrophobicContact CD1-CB 4.21Å; I436-Q637 HydrophobicContact CD1-CG 4.07Å; V463-Q637 PolarHBondContact O-NE2 2.7Å; L464-Q637 PolarHBondContact O-NE2 2.72Å; R466-Q637 WeakPolarHBondContact O-CG 3.44Å; R466-Q637 PolarHBondContact O-NE2 2.94Å; R466-Q637 VanDerWaalsContact O-NE2 3.15Å; P467-Q637 CarbonylContact O-C 3.18Å; P467-Q637 VanDerWaalsContact O-CA 3.31Å; P467-Q637 WeakPolarHBondContact O-CA 3.38Å; R612-Q637 PolarHBondContact O-N 2.96Å; S613-Q637 WeakPolarHBondContact CA-O 3.28Å; I614-Q637 PolarHBondContact N-O 2.82Å; Q637-I639 HydrophobicContact CG-CD1 4.18Å
638	L	98.5	Very high	94.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.5	-176.3	179.7	60.3	0	0	0	111	I422 P467 L468 S469 I614 I616 V631 L640	I422-L638 HydrophobicContact CD1-CB 4Å; P467-L638 PolarHBondContact O-N 3.09Å; L468-L638 WeakPolarHBondContact CA-O 3.3Å; L468-L638 HydrophobicContact CD1-CB 4.04Å; L468-L638 HydrophobicContact CD1-CD2 4Å; L468-L638 HydrophobicContact CD1-CG 4.07Å; S469-L638 PolarHBondContact N-O 3.43Å; I614-L638 HydrophobicContact CB-CD1 4.1Å; I614-L638 HydrophobicContact CG2-CD1 4.21Å; I614-L638 WeakPolarHBondContact O-CA 3.48Å; I616-L638 HydrophobicContact CD1-CD1 4.35Å; I616-L638 HydrophobicContact CG1-CD1 4.41Å; V631-L638 HydrophobicContact CG1-CD2 4.16Å; V631-L638 HydrophobicContact CG2-CD1 3.88Å; V631-L638 HydrophobicContact CG2-CD2 3.73Å; V631-L638 HydrophobicContact CG2-CG 4.48Å; L638-L640 HydrophobicContact CD1-CD2 3.88Å; L638-L640 HydrophobicContact CD2-CD2 4.26Å; L638-L640 HydrophobicContact CD2-CG 4.48Å; L638-L640 HydrophobicContact CG-CD2 4.03Å; L638-L640 HydrophobicContact CG-CG 4.27Å
639	I	98.6	Very high	94.3	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.6	177.8	-49.7	82.2	0	0	0	108.1	V463 I471 I486 L490 I614 L615 I616 Q637 V641	V463-I639 HydrophobicContact CG1-CB 4.4Å; V463-I639 HydrophobicContact CG1-CD1 4.4Å; V463-I639 HydrophobicContact CG1-CG1 3.41Å; V463-I639 VanDerWaalsContact CG1-CG1 3.41Å; V463-I639 HydrophobicContact CG1-CG2 4.03Å; I471-I639 HydrophobicContact CD1-CG2 4.29Å; I486-I639 HydrophobicContact CG2-CG1 4.37Å; L490-I639 HydrophobicContact CD1-CD1 3.88Å; I614-I639 VanDerWaalsContact O-CD1 3.26Å; I614-I639 WeakPolarHBondContact O-CD1 3.35Å; I614-I639 PolarHBondContact O-N 2.86Å; L615-I639 CarbonylContact C-O 3.35Å; L615-I639 WeakPolarHBondContact CA-O 3.47Å; L615-I639 HydrophobicContact CB-CB 4.23Å; L615-I639 HydrophobicContact CD1-CB 4.05Å; L615-I639 HydrophobicContact CD1-CG2 3.94Å; L615-I639 HydrophobicContact CG-CB 4.03Å; L615-I639 HydrophobicContact CG-CG2 4.24Å; I616-I639 PolarHBondContact N-O 3.14Å; Q637-I639 HydrophobicContact CG-CD1 4.18Å; I639-V641 HydrophobicContact CG2-CG2 3.85Å
640	L	98.5	Very high	93.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.9	173	-54.4	-178.5	0	0	0	108.7	S469 L470 I471 I616 L638 L665 F666 L669	S469-L640 PolarHBondContact O-N 2.95Å; L470-L640 CarbonylContact C-O 3.53Å; L470-L640 WeakPolarHBondContact CA-O 3.34Å; L470-L640 HydrophobicContact CD2-CB 3.77Å; L470-L640 HydrophobicContact CD2-CD1 3.84Å; L470-L640 HydrophobicContact CD2-CG 4.15Å; I471-L640 PolarHBondContact N-O 3.44Å; I616-L640 HydrophobicContact CB-CD2 3.93Å; I616-L640 HydrophobicContact CD1-CD2 3.76Å; I616-L640 HydrophobicContact CG1-CD2 3.96Å; L638-L640 HydrophobicContact CD1-CD2 3.88Å; L638-L640 HydrophobicContact CD2-CD2 4.26Å; L638-L640 HydrophobicContact CD2-CG 4.48Å; L638-L640 HydrophobicContact CG-CD2 4.03Å; L638-L640 HydrophobicContact CG-CG 4.27Å; L640-L665 HydrophobicContact CD1-CD2 3.86Å; L640-L665 HydrophobicContact CD1-CG 3.93Å; L640-F666 HydrophobicContact CB-CD2 3.96Å; L640-L669 HydrophobicContact CD1-CD1 3.88Å
641	V	97.5	Very high	93	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.9	-178.4	-175.9	0	0	0	0	107.7	I471 K479 L615 I616 D617 E618 S619 I639	I471-V641 HydrophobicContact CB-CB 4.46Å; I471-V641 HydrophobicContact CB-CG1 4.19Å; I471-V641 HydrophobicContact CB-CG2 4.14Å; I471-V641 HydrophobicContact CD1-CG2 3.95Å; I471-V641 HydrophobicContact CG1-CG2 4.24Å; I471-V641 HydrophobicContact CG2-CG1 4.43Å; K479-V641 HydrophobicContact CB-CG1 4.17Å; K479-V641 HydrophobicContact CD-CG1 3.91Å; K479-V641 HydrophobicContact CG-CG1 4.2Å; L615-V641 HydrophobicContact CD1-CG2 4.23Å; L615-V641 HydrophobicContact CD2-CG2 4.36Å; L615-V641 HydrophobicContact CG-CG2 4.24Å; I616-V641 PolarHBondContact O-N 3.42Å; D617-V641 CarbonylContact C-O 3.6Å; D617-V641 HydrophobicContact CB-CB 4.44Å; D617-V641 WeakPolarHBondContact OD1-CG1 3.48Å; E618-V641 PolarHBondContact N-O 2.82Å; S619-V641 PolarHBondContact N-O 2.97Å; S619-V641 PolarHBondContact OG-N 2.85Å; S619-V641 PolarHBondContact OG-O 2.88Å; I639-V641 HydrophobicContact CG2-CG2 3.85Å
642	G	94.3	Very high	92.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	-169.9	-169.3	0	0	0	0	0	113.2	I471 Q472 G473	I471-G642 PolarHBondContact O-N 3.16Å; Q472-G642 WeakPolarHBondContact CA-O 3.28Å; G473-G642 PolarHBondContact N-O 3.48Å
643	D	91.8	Very high	91.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.			trans	-161.8	106	169.2	-175.5	22.1	0	0	0	110.1	Q472 T620 C645 Q646 Y698	Q472-D643 PolarHBondContact NE2-OD1 3.09Å; T620-D643 PolarHBondContact OG1-N 3.2Å; T620-D643 PolarHBondContact OG1-O 3.4Å; D643-C645 PolarHBondContact O-N 3.3Å; D643-C645 PolarHBondContact OD1-N 3.5Å; D643-Q646 HydrophobicContact CB-CB 4.44Å; D643-Q646 PolarHBondContact O-N 2.99Å; D643-Q646 PolarHBondContact OD2-NE2 3.38Å; D643-Y698 PolarHBondContact OD2-OH 3.35Å
644	H	87.1	Confident	91.1	Very high	6 Å²	6	23 Å²	23	3%	0.028	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.2	-179.2	57.2	-72.3	0	0	0	113.4	Q472 T620 Q646 F666 E667 R838 I904 N905	Q472-H644 PolarHBondContact NE2-CE1 3.27Å; Q472-H644 VanDerWaalsContact NE2-CE1 3.33Å; T620-H644 HydrophobicContact CG2-CB 4.39Å; H644-Q646 VanDerWaalsContact C-N 3.3Å; H644-F666 AromaticContact ND1-CE1 3.88Å; H644-E667 HydrophobicContact CB-CG 3.61Å; H644-R838 WeakPolarHBondContact O-CD 3.46Å; H644-I904 PolarHBondContact CD2-O 2.97Å; H644-N905 PolarHBondContact NE2-OD1 3.38Å
645	C	87.4	Confident	90.6	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.02	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.9	168.8	-56.3	0	0	0	0	113	D643 F697 Y698 R838 N841	D643-C645 PolarHBondContact O-N 3.3Å; D643-C645 PolarHBondContact OD1-N 3.5Å; C645-F697 HydrophobicContact CB-CB 4.36Å; C645-Y698 HydrophobicContact CB-CE1 3.65Å; C645-R838 WeakPolarHBondContact O-CA 3.18Å; C645-N841 PolarHBondContact O-ND2 3.17Å
646	Q	88.2	Confident	90.3	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	13%	0.132	C	C	.	.	S	Bend	trans	-105.1	-174.3	169.1	-70.7	177	89.2	0	0	110	P475 D643 H644 G648 R838 V842	P475-Q646 HydrophobicContact CG-CG 4.4Å; D643-Q646 HydrophobicContact CB-CB 4.44Å; D643-Q646 PolarHBondContact O-N 2.99Å; D643-Q646 PolarHBondContact OD2-NE2 3.38Å; H644-Q646 VanDerWaalsContact C-N 3.3Å; Q646-G648 PolarHBondContact O-N 2.95Å; Q646-R838 WeakPolarHBondContact O-CB 3.44Å; Q646-R838 WeakPolarHBondContact O-CD 3.47Å; Q646-V842 HydrophobicContact CB-CG2 3.72Å; Q646-V842 HydrophobicContact CG-CG2 3.67Å
647	L	83.9	Confident	89.9	Confident	8 Å²	8	22.8 Å²	22.8	4%	0.042	12%	0.12	C	C	.	.			trans	-63.1	135.7	-166.9	-53.8	176.3	0	0	0	113	D808 R838 R839 V842	L647-D808 HydrophobicContact CD1-CB 4.09Å; L647-D808 WeakPolarHBondContact CD1-OD1 3.46Å; L647-R838 HydrophobicContact CD2-CB 4.41Å; L647-R839 HydrophobicContact CD2-CB 4.15Å; L647-R839 HydrophobicContact CD2-CG 3.34Å; L647-V842 HydrophobicContact CG-CG2 4.03Å
648	G	86.5	Confident	89.4	Confident	11 Å²	11	29.5 Å²	29.5	11%	0.113	15%	0.149	C	C	.	.			trans	-78.7	-179	165.4	0	0	0	0	0	112.8	T620 Q646	T620-G648 VanDerWaalsContact O-CA 3.29Å; T620-G648 WeakPolarHBondContact O-CA 3.43Å; Q646-G648 PolarHBondContact O-N 2.95Å
649	P	88.6	Confident	89.1	Confident	16 Å²	16	29.7 Å²	29.7	10%	0.104	15%	0.151	C	C	.	.			trans	-62.8	152.6	175.5	26.7	-35.5	0	0	0	113.7	T620 Q621 T623 S662	T620-P649 WeakPolarHBondContact O-CD 3.34Å; Q621-P649 VanDerWaalsContact O-CA 3.25Å; Q621-P649 WeakPolarHBondContact O-CA 3.43Å; Q621-P649 WeakPolarHBondContact O-CB 3.37Å; T623-P649 HydrophobicContact CG2-CB 3.74Å; T623-P649 HydrophobicContact CG2-CG 4.24Å; P649-S662 WeakPolarHBondContact CG-O 3.46Å
650	V	84.4	Confident	88.8	Confident	84 Å²	84	30.3 Å²	30.3	51%	0.509	16%	0.157	S	C	.	.			trans	-91.8	118.3	172.2	-178.1	0	0	0	0	108.5	M652	V650-M652 HydrophobicContact CG1-CE 3.73Å; V650-M652 HydrophobicContact CG1-SD 3.98Å
651	V	86.8	Confident	88.7	Confident	25 Å²	25	30.5 Å²	30.5	15%	0.152	16%	0.158	C	C	.	.			trans	-125	120.9	176.6	-178.3	0	0	0	0	107.4	E294 T623 A656 A657 L661	E294-V651 VanDerWaalsContact OE2-CG1 3.27Å; E294-V651 WeakPolarHBondContact OE2-CG1 3.44Å; T623-V651 HydrophobicContact CG2-CG2 4.15Å; V651-A656 HydrophobicContact CG1-CB 4.34Å; V651-A657 HydrophobicContact CB-CB 4.05Å; V651-A657 HydrophobicContact CG1-CB 3.85Å; V651-L661 HydrophobicContact CG1-CB 4.44Å; V651-L661 HydrophobicContact CG1-CD2 4.05Å; V651-L661 HydrophobicContact CG1-CG 4.42Å; V651-L661 HydrophobicContact CG2-CG 4.23Å
652	M	82.2	Confident	88.4	Confident	49 Å²	49	32.8 Å²	32.8	24%	0.241	18%	0.175	C	C	.	.			trans	-84.1	-39.1	-173.8	-56.8	-59.7	-171.4	0	0	111.7	E294 Y297 D334 V650 K654	E294-M652 WeakPolarHBondContact OE1-CB 3.3Å; E294-M652 PolarHBondContact OE1-N 3.11Å; E294-M652 PolarHBondContact OE2-N 3.36Å; Y297-M652 HydrophobicContact CD1-CB 3.77Å; Y297-M652 HydrophobicContact CE1-CB 3.84Å; D334-M652 HydrophobicContact CB-CE 4.12Å; D334-M652 HydrophobicContact CB-SD 3.84Å; D334-M652 VanDerWaalsContact O-CE 3.3Å; D334-M652 WeakPolarHBondContact O-CE 3.43Å; V650-M652 HydrophobicContact CG1-CE 3.73Å; V650-M652 HydrophobicContact CG1-SD 3.98Å; M652-K654 PolarHBondContact O-N 3.49Å; M652-K654 VanDerWaalsContact O-N 3.12Å
653	C	84.3	Confident	88.4	Confident	10 Å²	10	35.2 Å²	35.2	7%	0.068	19%	0.186	C	C	.	.			trans	-72.5	103.8	178	-174.9	0	0	0	0	110.3	E294 Y297 K655 A656 A657	E294-C653 WeakPolarHBondContact OE2-CA 3.08Å; E294-C653 WeakPolarHBondContact OE2-CB 3.5Å; E294-C653 PolarHBondContact OE2-N 2.89Å; Y297-C653 HydrophobicContact CD1-CB 4.34Å; Y297-C653 HydrophobicContact CD2-CB 4.31Å; Y297-C653 HydrophobicContact CG-CB 3.9Å; C653-K655 PolarHBondContact O-N 3.31Å; C653-A656 HydrophobicContact CB-CB 4.02Å; C653-A656 PolarHBondContact O-N 3.01Å; C653-A657 PolarHBondContact O-N 3.39Å
654	K	85.8	Confident	88.7	Confident	166 Å²	166	35.2 Å²	35.2	72%	0.722	19%	0.186	S	C	*	.	H	α-helix	trans	-61.4	-26.7	-177.6	-66.8	174.4	-175.1	166.9	0	113.7	M652 K658	M652-K654 PolarHBondContact O-N 3.49Å; M652-K654 VanDerWaalsContact O-N 3.12Å; K654-K658 WeakPolarHBondContact O-CB 3.39Å; K654-K658 WeakPolarHBondContact O-CG 3.3Å; K654-K658 PolarHBondContact O-N 2.85Å; K654-K658 VanDerWaalsContact O-N 3.14Å
655	K	86.6	Confident	89.2	Confident	72 Å²	72	34.9 Å²	34.9	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-66.6	-50.2	170.8	-74.5	-166.1	170.8	-168.1	0	110.7	D267 C653 A657 K658 A659	D267-K655 IonicContact OD1-NZ 3.11Å; D267-K655 PolarHBondContact OD1-NZ 3Å; C653-K655 PolarHBondContact O-N 3.31Å; K655-A657 PolarHBondContact O-N 2.93Å; K655-K658 PolarHBondContact O-N 2.59Å; K655-A659 PolarHBondContact O-N 2.88Å; K655-A659 VanDerWaalsContact O-N 3.14Å
656	A	90.5	Very high	89.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-38.8	178.6	0	0	0	0	0	113.1	L290 L293 V651 C653 A659 G660 L661	L290-A656 HydrophobicContact CD2-CB 4.38Å; L293-A656 HydrophobicContact CB-CB 4.18Å; V651-A656 HydrophobicContact CG1-CB 4.34Å; C653-A656 HydrophobicContact CB-CB 4.02Å; C653-A656 PolarHBondContact O-N 3.01Å; A656-A659 PolarHBondContact O-N 3.09Å; A656-G660 PolarHBondContact O-N 3.01Å; A656-L661 HydrophobicContact CB-CB 4.32Å; A656-L661 HydrophobicContact CB-CD2 3.92Å; A656-L661 VanDerWaalsContact O-CB 3.26Å; A656-L661 WeakPolarHBondContact O-CB 3.42Å; A656-L661 PolarHBondContact O-N 3.5Å
657	A	88.6	Confident	89.9	Confident	22 Å²	22	36 Å²	36	18%	0.182	19%	0.189	C	C	.	.	I	π-helix	trans	-61.1	-49.5	175.7	0	0	0	0	0	112	V651 C653 K655 A659 G660 S662	V651-A657 HydrophobicContact CB-CB 4.05Å; V651-A657 HydrophobicContact CG1-CB 3.85Å; C653-A657 PolarHBondContact O-N 3.39Å; K655-A657 PolarHBondContact O-N 2.93Å; A657-A659 VanDerWaalsContact C-N 3.35Å; A657-A659 PolarHBondContact O-N 3.09Å; A657-G660 PolarHBondContact O-N 2.7Å; A657-G660 VanDerWaalsContact O-N 3.15Å; A657-S662 PolarHBondContact O-OG 3.24Å
658	K	88.5	Confident	90.5	Very high	143 Å²	143	35.6 Å²	35.6	62%	0.622	19%	0.187	S	C	*	.	I	π-helix	trans	-54.7	-48.6	174.9	-83.8	178.7	168.5	-166.1	0	112.2	H272 K654 K655 G660	H272-K658 PolarHBondContact CE1-O 2.88Å; K654-K658 WeakPolarHBondContact O-CB 3.39Å; K654-K658 WeakPolarHBondContact O-CG 3.3Å; K654-K658 PolarHBondContact O-N 2.85Å; K654-K658 VanDerWaalsContact O-N 3.14Å; K655-K658 PolarHBondContact O-N 2.59Å; K658-G660 PolarHBondContact O-N 3.08Å; K658-G660 VanDerWaalsContact O-N 3.11Å
659	A	91.2	Very high	91	Very high	3 Å²	3	35 Å²	35	3%	0.025	18%	0.182	C	C	.	.	I	π-helix	trans	-66.1	-10.4	-177.3	0	0	0	0	0	113.7	P270 H272 V273 L290 K655 A656 A657	P270-A659 HydrophobicContact CG-CB 3.97Å; H272-A659 CarbonylContact C-O 3.23Å; H272-A659 WeakPolarHBondContact CA-O 3.07Å; H272-A659 PolarHBondContact ND1-O 3.37Å; V273-A659 WeakPolarHBondContact CG2-O 3.5Å; V273-A659 PolarHBondContact N-O 3.38Å; L290-A659 HydrophobicContact CD1-CB 4.46Å; L290-A659 HydrophobicContact CD2-CB 3.55Å; K655-A659 PolarHBondContact O-N 2.88Å; K655-A659 VanDerWaalsContact O-N 3.14Å; A656-A659 PolarHBondContact O-N 3.09Å; A657-A659 VanDerWaalsContact C-N 3.35Å; A657-A659 PolarHBondContact O-N 3.09Å
660	G	93.1	Very high	91.3	Very high	14 Å²	14	34.6 Å²	34.6	14%	0.144	18%	0.179	C	C	.	.	I	π-helix	trans	121.6	-0	168.6	0	0	0	0	0	115.3	A656 A657 K658 S662 Q663	A656-G660 PolarHBondContact O-N 3.01Å; A657-G660 PolarHBondContact O-N 2.7Å; A657-G660 VanDerWaalsContact O-N 3.15Å; K658-G660 PolarHBondContact O-N 3.08Å; K658-G660 VanDerWaalsContact O-N 3.11Å; G660-S662 PolarHBondContact O-N 3.46Å; G660-Q663 WeakPolarHBondContact O-CB 3.33Å; G660-Q663 PolarHBondContact O-N 2.92Å
661	L	95.3	Very high	91.7	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.171	C	C	.	.	I	π-helix	trans	-61	-20	178.7	-171.3	62	0	0	0	113	F287 L290 V291 E294 T623 P625 V651 A656 Q663	F287-L661 HydrophobicContact CD1-CD1 4.31Å; L290-L661 HydrophobicContact CB-CB 4.37Å; L290-L661 HydrophobicContact CB-CD1 4.37Å; L290-L661 HydrophobicContact CB-CD2 4.29Å; V291-L661 HydrophobicContact CG2-CD1 4.43Å; E294-L661 HydrophobicContact CB-CD2 3.96Å; T623-L661 HydrophobicContact CG2-CD1 4.45Å; T623-L661 HydrophobicContact CG2-CG 4.36Å; P625-L661 HydrophobicContact CG-CD1 4.04Å; V651-L661 HydrophobicContact CG1-CB 4.44Å; V651-L661 HydrophobicContact CG1-CD2 4.05Å; V651-L661 HydrophobicContact CG1-CG 4.42Å; V651-L661 HydrophobicContact CG2-CG 4.23Å; A656-L661 HydrophobicContact CB-CB 4.32Å; A656-L661 HydrophobicContact CB-CD2 3.92Å; A656-L661 VanDerWaalsContact O-CB 3.26Å; A656-L661 WeakPolarHBondContact O-CB 3.42Å; A656-L661 PolarHBondContact O-N 3.5Å; L661-Q663 VanDerWaalsContact C-N 3.29Å
662	S	92.6	Very high	91.9	Very high	49 Å²	49	34.3 Å²	34.3	34%	0.343	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1	173.9	61.3	0	0	0	0	114.9	P649 A657 G660	P649-S662 WeakPolarHBondContact CG-O 3.46Å; A657-S662 PolarHBondContact O-OG 3.24Å; G660-S662 PolarHBondContact O-N 3.46Å
663	Q	93.8	Very high	92.4	Very high	50 Å²	50	33.8 Å²	33.8	23%	0.234	18%	0.182	C	C	.	.	S	Bend	trans	-86.7	130.6	168.4	-171.9	174.9	40.1	0	0	109.3	G660 L661 E667 R668	G660-Q663 WeakPolarHBondContact O-CB 3.33Å; G660-Q663 PolarHBondContact O-N 2.92Å; L661-Q663 VanDerWaalsContact C-N 3.29Å; Q663-E667 HydrophobicContact CG-CB 3.93Å; Q663-R668 HydrophobicContact CG-CB 4.33Å
664	S	96.8	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.			trans	-80.7	154.1	172.2	65.7	0	0	0	0	111.7	A622 F666 E667 R668	A622-S664 WeakPolarHBondContact O-CB 3.06Å; S664-F666 PolarHBondContact O-N 2.83Å; S664-E667 WeakPolarHBondContact CB-OE2 3.2Å; S664-E667 PolarHBondContact N-OE2 3.15Å; S664-E667 PolarHBondContact O-N 2.8Å; S664-E667 VanDerWaalsContact OG-CD 3.29Å; S664-E667 WeakPolarHBondContact OG-CG 3.49Å; S664-E667 PolarHBondContact OG-N 2.61Å; S664-E667 PolarHBondContact OG-OE2 3.4Å; S664-R668 PolarHBondContact O-N 2.81Å
665	L	97.5	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.3	-36.8	174.3	174.8	61.2	0	0	0	111.8	L426 E624 C627 M628 L640 L669	L426-L665 HydrophobicContact CD2-CD1 3.68Å; L426-L665 HydrophobicContact CD2-CD2 4.02Å; L426-L665 HydrophobicContact CD2-CG 4.39Å; E624-L665 HydrophobicContact CB-CB 4.13Å; E624-L665 HydrophobicContact CG-CB 3.99Å; E624-L665 HydrophobicContact CG-CD1 4.2Å; E624-L665 WeakPolarHBondContact OE1-CD1 3.3Å; C627-L665 HydrophobicContact CB-CB 4.06Å; C627-L665 HydrophobicContact CB-CD2 3.88Å; M628-L665 HydrophobicContact SD-CD2 4.47Å; L640-L665 HydrophobicContact CD1-CD2 3.86Å; L640-L665 HydrophobicContact CD1-CG 3.93Å; L665-L669 HydrophobicContact CD1-CD1 3.85Å; L665-L669 HydrophobicContact CD1-CG 4Å; L665-L669 HydrophobicContact CG-CD1 3.92Å; L665-L669 HydrophobicContact CG-CG 4.47Å; L665-L669 WeakPolarHBondContact O-CB 3.48Å; L665-L669 VanDerWaalsContact O-CG 3.23Å; L665-L669 WeakPolarHBondContact O-CG 3.4Å; L665-L669 PolarHBondContact O-N 2.75Å
666	F	97.3	Very high	93.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-47	175.7	-173.6	-74.8	0	0	0	111.4	L470 I471 Q472 T620 L640 H644 S664 L669 V670 P676	L470-F666 HydrophobicContact CB-CD2 4.37Å; L470-F666 HydrophobicContact CB-CE2 3.83Å; L470-F666 HydrophobicContact CB-CZ 4.15Å; L470-F666 HydrophobicContact CD2-CD2 4.14Å; L470-F666 HydrophobicContact CD2-CE2 4.44Å; I471-F666 WeakPolarHBondContact O-CE2 3.12Å; Q472-F666 HydrophobicContact CB-CZ 4.36Å; T620-F666 HydrophobicContact CG2-CB 3.7Å; T620-F666 HydrophobicContact CG2-CD1 3.51Å; T620-F666 HydrophobicContact CG2-CD2 4.33Å; T620-F666 HydrophobicContact CG2-CE1 4.19Å; T620-F666 HydrophobicContact CG2-CG 3.6Å; L640-F666 HydrophobicContact CB-CD2 3.96Å; H644-F666 AromaticContact ND1-CE1 3.88Å; S664-F666 PolarHBondContact O-N 2.83Å; F666-L669 PolarHBondContact O-N 2.9Å; F666-V670 HydrophobicContact CD1-CG2 4.11Å; F666-V670 HydrophobicContact CE1-CG2 3.96Å; F666-V670 WeakPolarHBondContact O-CG2 3.32Å; F666-V670 PolarHBondContact O-N 2.91Å; F666-P676 HydrophobicContact CE1-CG 4.25Å; F666-P676 HydrophobicContact CZ-CB 4.2Å; F666-P676 HydrophobicContact CZ-CG 4.15Å
667	E	94.5	Very high	93.8	Very high	29 Å²	29	33.6 Å²	33.6	14%	0.136	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-43.4	178.6	-73.7	160.1	133.8	0	0	112	H644 Q663 S664 L669 V670 V671 R838	H644-E667 HydrophobicContact CB-CG 3.61Å; Q663-E667 HydrophobicContact CG-CB 3.93Å; S664-E667 WeakPolarHBondContact CB-OE2 3.2Å; S664-E667 PolarHBondContact N-OE2 3.15Å; S664-E667 PolarHBondContact O-N 2.8Å; S664-E667 VanDerWaalsContact OG-CD 3.29Å; S664-E667 WeakPolarHBondContact OG-CG 3.49Å; S664-E667 PolarHBondContact OG-N 2.61Å; S664-E667 PolarHBondContact OG-OE2 3.4Å; E667-L669 PolarHBondContact O-N 2.87Å; E667-V670 PolarHBondContact O-N 3.2Å; E667-V671 WeakPolarHBondContact O-CG2 3.49Å; E667-V671 PolarHBondContact O-N 3.48Å; E667-R838 IonicContact OE1-NH1 3.19Å
668	R	96.3	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-42.9	178.1	-167.6	177.8	61.5	81.6	4.1	111.9	L274 L275 L426 E624 Q663 S664 V670 V671 L672	L274-R668 WeakPolarHBondContact O-CD 3.32Å; L275-R668 HydrophobicContact CD2-CG 4.21Å; L275-R668 PolarHBondContact O-NH1 3.06Å; L426-R668 VanDerWaalsContact O-CZ 3.32Å; L426-R668 PolarHBondContact O-NH1 3.43Å; L426-R668 PolarHBondContact O-NH2 3.07Å; E624-R668 IonicContact OE1-CZ 3.9Å; E624-R668 VanDerWaalsContact OE1-CZ 3.31Å; E624-R668 IonicContact OE1-NE 3.69Å; E624-R668 PolarHBondContact OE1-NE 3.18Å; E624-R668 IonicContact OE1-NH2 3.6Å; E624-R668 PolarHBondContact OE1-NH2 3.3Å; E624-R668 IonicContact OE2-CZ 2.73Å; E624-R668 IonicContact OE2-NE 3.5Å; E624-R668 PolarHBondContact OE2-NE 3.05Å; E624-R668 IonicContact OE2-NH2 2.83Å; Q663-R668 HydrophobicContact CG-CB 4.33Å; S664-R668 PolarHBondContact O-N 2.81Å; R668-V670 VanDerWaalsContact C-N 3.32Å; R668-V670 PolarHBondContact O-N 3.19Å; R668-V671 PolarHBondContact O-N 3.46Å; R668-L672 PolarHBondContact O-N 2.91Å
669	L	96.1	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-31.6	176.1	-67.9	172	0	0	0	112.9	L426 L468 L470 L640 L665 F666 E667 L672 G673 I674	L426-L669 HydrophobicContact CD2-CD1 4.42Å; L468-L669 HydrophobicContact CD2-CD1 4.47Å; L470-L669 HydrophobicContact CD1-CB 3.95Å; L470-L669 HydrophobicContact CD2-CD1 4.13Å; L640-L669 HydrophobicContact CD1-CD1 3.88Å; L665-L669 HydrophobicContact CD1-CD1 3.85Å; L665-L669 HydrophobicContact CD1-CG 4Å; L665-L669 HydrophobicContact CG-CD1 3.92Å; L665-L669 HydrophobicContact CG-CG 4.47Å; L665-L669 WeakPolarHBondContact O-CB 3.48Å; L665-L669 VanDerWaalsContact O-CG 3.23Å; L665-L669 WeakPolarHBondContact O-CG 3.4Å; L665-L669 PolarHBondContact O-N 2.75Å; F666-L669 PolarHBondContact O-N 2.9Å; E667-L669 PolarHBondContact O-N 2.87Å; L669-L672 HydrophobicContact CD2-CD1 4.19Å; L669-G673 PolarHBondContact O-N 3.27Å; L669-I674 HydrophobicContact CB-CD1 4.27Å; L669-I674 HydrophobicContact CD2-CD1 3.96Å; L669-I674 VanDerWaalsContact O-CB 3.3Å; L669-I674 WeakPolarHBondContact O-CB 3.19Å; L669-I674 PolarHBondContact O-N 2.91Å
670	V	94.6	Very high	94.6	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-41.3	171.4	169.8	0	0	0	0	111.7	L470 F666 E667 R668 L672 G673 P676	L470-V670 HydrophobicContact CD1-CG2 3.75Å; F666-V670 HydrophobicContact CD1-CG2 4.11Å; F666-V670 HydrophobicContact CE1-CG2 3.96Å; F666-V670 WeakPolarHBondContact O-CG2 3.32Å; F666-V670 PolarHBondContact O-N 2.91Å; E667-V670 PolarHBondContact O-N 3.2Å; R668-V670 VanDerWaalsContact C-N 3.32Å; R668-V670 PolarHBondContact O-N 3.19Å; V670-L672 VanDerWaalsContact C-N 3.32Å; V670-G673 WeakPolarHBondContact O-CA 3.23Å; V670-G673 PolarHBondContact O-N 3.15Å; V670-P676 HydrophobicContact CG2-CG 3.45Å; V670-P676 VanDerWaalsContact CG2-CG 3.45Å
671	V	92.7	Very high	94.7	Very high	57 Å²	57	30.3 Å²	30.3	35%	0.345	16%	0.157	S	C	.	.	H	α-helix	trans	-68	-32.7	176.7	177.5	0	0	0	0	111.6	L275 E667 R668 G673 P906	L275-V671 HydrophobicContact CD1-CG1 3.85Å; L275-V671 HydrophobicContact CD2-CB 4.11Å; L275-V671 HydrophobicContact CD2-CG1 3.61Å; L275-V671 HydrophobicContact CG-CG1 4.41Å; E667-V671 WeakPolarHBondContact O-CG2 3.49Å; E667-V671 PolarHBondContact O-N 3.48Å; R668-V671 PolarHBondContact O-N 3.46Å; V671-G673 PolarHBondContact O-N 2.8Å; V671-G673 VanDerWaalsContact O-N 3.14Å; V671-P906 HydrophobicContact CG2-CG 4.14Å
672	L	92.4	Very high	94.8	Very high	46 Å²	46	30.1 Å²	30.1	24%	0.241	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	1.3	167.3	-77.3	168.6	0	0	0	114.4	L275 R276 R668 L669 V670	L275-L672 HydrophobicContact CB-CD2 4.14Å; L275-L672 WeakPolarHBondContact O-CD1 3.39Å; R276-L672 HydrophobicContact CG-CD2 3.99Å; R668-L672 PolarHBondContact O-N 2.91Å; L669-L672 HydrophobicContact CD2-CD1 4.19Å; V670-L672 VanDerWaalsContact C-N 3.32Å
673	G	91.6	Very high	94.9	Very high	37 Å²	37	32 Å²	32	38%	0.381	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	3.7	174.4	0	0	0	0	0	115.6	L669 V670 V671 R675	L669-G673 PolarHBondContact O-N 3.27Å; V670-G673 WeakPolarHBondContact O-CA 3.23Å; V670-G673 PolarHBondContact O-N 3.15Å; V671-G673 PolarHBondContact O-N 2.8Å; V671-G673 VanDerWaalsContact O-N 3.14Å; G673-R675 PolarHBondContact O-N 3.01Å
674	I	93	Very high	95	Very high	44 Å²	44	30.8 Å²	30.8	23%	0.226	15%	0.15	C	C	.	.			trans	-71.3	100.7	174.2	-54.5	-171.3	0	0	0	109	L468 L470 L669 P676	L468-I674 HydrophobicContact CD2-CD1 3.82Å; L470-I674 HydrophobicContact CD1-CB 4.05Å; L470-I674 HydrophobicContact CD1-CG2 3.87Å; L470-I674 HydrophobicContact CG-CG2 3.96Å; L669-I674 HydrophobicContact CB-CD1 4.27Å; L669-I674 HydrophobicContact CD2-CD1 3.96Å; L669-I674 VanDerWaalsContact O-CB 3.3Å; L669-I674 WeakPolarHBondContact O-CB 3.19Å; L669-I674 PolarHBondContact O-N 2.91Å; I674-P676 VanDerWaalsContact O-CD 3.26Å; I674-P676 WeakPolarHBondContact O-CD 3.35Å
675	R	92.9	Very high	95	Very high	170 Å²	170	30.8 Å²	30.8	64%	0.642	15%	0.15	S	C	*	.			trans	-67.5	118.4	-177.5	-62	-178.7	-179.1	-168.2	-4.6	111.4	G673 F910	G673-R675 PolarHBondContact O-N 3.01Å; R675-F910 PolarHBondContact NH2-O 3.41Å
676	P	95.4	Very high	95	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.104	15%	0.153	C	C	.	.			trans	-69.3	148.7	175.9	-20.7	34.3	0	0	0	112.9	L470 Q472 F666 V670 I674 R678	L470-P676 HydrophobicContact CB-CB 3.98Å; L470-P676 HydrophobicContact CB-CG 4.15Å; L470-P676 HydrophobicContact CD1-CG 4.3Å; L470-P676 WeakPolarHBondContact O-CA 3Å; Q472-P676 HydrophobicContact CB-CB 3.82Å; F666-P676 HydrophobicContact CE1-CG 4.25Å; F666-P676 HydrophobicContact CZ-CB 4.2Å; F666-P676 HydrophobicContact CZ-CG 4.15Å; V670-P676 HydrophobicContact CG2-CG 3.45Å; V670-P676 VanDerWaalsContact CG2-CG 3.45Å; I674-P676 VanDerWaalsContact O-CD 3.26Å; I674-P676 WeakPolarHBondContact O-CD 3.35Å; P676-R678 PolarHBondContact O-N 2.79Å
677	I	96.6	Very high	95	Very high	14 Å²	14	33 Å²	33	7%	0.072	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	108.2	167.5	-54.6	163.9	0	0	0	107.3	Y458 A459 T462 V463 L470 I471 Q472	Y458-I677 HydrophobicContact CD1-CG2 3.82Å; Y458-I677 HydrophobicContact CE1-CG2 3.95Å; A459-I677 HydrophobicContact CB-CG2 3.76Å; T462-I677 HydrophobicContact CG2-CD1 3.82Å; V463-I677 HydrophobicContact CG2-CD1 3.97Å; L470-I677 PolarHBondContact O-N 3.35Å; I471-I677 WeakPolarHBondContact CA-O 3.42Å; Q472-I677 PolarHBondContact N-O 3.42Å
678	R	95	Very high	95.2	Very high	26 Å²	26	32.4 Å²	32.4	10%	0.098	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122	-179.5	-168.4	-177.1	-74.7	175.8	0.8	110.8	Q472 P676 E699 S701 N905	Q472-R678 CarbonylContact O-C 3.55Å; Q472-R678 WeakPolarHBondContact O-CA 3.47Å; P676-R678 PolarHBondContact O-N 2.79Å; R678-E699 IonicContact CZ-OE2 2.76Å; R678-E699 IonicContact NH1-OE2 3.94Å; R678-E699 PolarHBondContact NH1-OE2 3.45Å; R678-E699 IonicContact NH2-OE2 3.72Å; R678-E699 PolarHBondContact NH2-OE2 3.25Å; R678-S701 PolarHBondContact NH1-OG 3.01Å; R678-N905 PolarHBondContact NH2-ND2 3.22Å
679	L	96.1	Very high	95.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.166	C	C	.	.			trans	-74.8	129.1	168	-57.6	-177.7	0	0	0	109.3	Q456 A459 I471 Q472 P474 T477 K479 T482	Q456-L679 HydrophobicContact CG-CD2 4.02Å; A459-L679 HydrophobicContact CB-CD2 3.98Å; I471-L679 HydrophobicContact CG2-CD1 4.22Å; I471-L679 HydrophobicContact CG2-CD2 4.32Å; I471-L679 HydrophobicContact CG2-CG 3.97Å; Q472-L679 PolarHBondContact O-N 3.24Å; P474-L679 WeakPolarHBondContact CD-O 3.39Å; T477-L679 HydrophobicContact CG2-CB 4.4Å; K479-L679 HydrophobicContact CG-CD1 4.31Å; T482-L679 HydrophobicContact CG2-CD2 4.48Å
680	Q	92.6	Very high	95.3	Very high	76 Å²	76	33 Å²	33	36%	0.355	17%	0.166	S	C	.	.			trans	-103.9	-20	-162.7	-63.5	-172.2	-2.9	0	0	115.8	S455 Q703	S455-Q680 PolarHBondContact OG-N 2.74Å; Q680-Q703 PolarHBondContact O-N 2.68Å
681	V	96.6	Very high	95.4	Very high	10 Å²	10	34 Å²	34	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.9	-169.5	-171.7	0	0	0	0	110.5	T477 Y683 Q703	T477-V681 WeakPolarHBondContact CA-O 3.22Å; V681-Y683 HydrophobicContact CB-CE2 4.06Å; V681-Y683 HydrophobicContact CG1-CE1 4.21Å; V681-Y683 HydrophobicContact CG1-CE2 3.92Å; V681-Y683 WeakPolarHBondContact O-CD2 3.42Å; V681-Y683 VanDerWaalsContact O-CE2 3.28Å; V681-Y683 WeakPolarHBondContact O-CE2 3.41Å; V681-Q703 WeakPolarHBondContact CA-O 3.26Å; V681-Q703 HydrophobicContact CG2-CB 4.26Å
682	Q	95.8	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.5	178.7	79.4	82.2	18.3	0	0	112.5	T477 M685 L702 Q703 N704 G705	T477-Q682 HydrophobicContact CG2-CB 4.31Å; Q682-M685 HydrophobicContact CG-CE 4.43Å; Q682-M685 PolarHBondContact NE2-O 3.1Å; Q682-L702 HydrophobicContact CB-CD1 4Å; Q682-L702 HydrophobicContact CB-CD2 4.2Å; Q682-L702 HydrophobicContact CB-CG 4.11Å; Q682-L702 HydrophobicContact CG-CD2 4.22Å; Q682-L702 HydrophobicContact CG-CG 4.17Å; Q682-Q703 PolarHBondContact N-O 3.11Å; Q682-N704 PolarHBondContact NE2-OD1 3.31Å; Q682-G705 WeakPolarHBondContact O-CA 3.35Å; Q682-G705 PolarHBondContact O-N 2.91Å
683	Y	95.7	Very high	95.7	Very high	89 Å²	89	29.7 Å²	29.7	35%	0.349	15%	0.151	S	C	.	.			trans	-121.2	9.5	-177.8	-59.7	-88.6	0	0	0	113.8	N453 G476 V681 G705 V706 R711	N453-Y683 WeakPolarHBondContact CB-OH 3.19Å; N453-Y683 WeakPolarHBondContact ND2-CE2 3.28Å; N453-Y683 PolarHBondContact ND2-OH 3.01Å; G476-Y683 PolarHBondContact O-N 3.34Å; V681-Y683 HydrophobicContact CB-CE2 4.06Å; V681-Y683 HydrophobicContact CG1-CE1 4.21Å; V681-Y683 HydrophobicContact CG1-CE2 3.92Å; V681-Y683 WeakPolarHBondContact O-CD2 3.42Å; V681-Y683 VanDerWaalsContact O-CE2 3.28Å; V681-Y683 WeakPolarHBondContact O-CE2 3.41Å; Y683-G705 WeakPolarHBondContact CD1-O 3.36Å; Y683-V706 HydrophobicContact CD1-CG1 4.29Å; Y683-R711 PolarHBondContact O-NH2 2.69Å
684	R	95	Very high	95.8	Very high	24 Å²	24	28.2 Å²	28.2	9%	0.091	14%	0.135	C	C	.	.	S	Bend	trans	-90.3	-56.4	-176.3	174.9	179.5	-72.2	-178.1	-8.2	112.2	R711 R813 E814 T845 A847 K848	R684-R711 PolarHBondContact O-NE 3.2Å; R684-R813 PolarHBondContact NH1-O 3.46Å; R684-R813 PolarHBondContact NH2-O 3.3Å; R684-E814 IonicContact CZ-OE2 3.62Å; R684-E814 IonicContact NE-OE2 3.21Å; R684-E814 PolarHBondContact NE-OE2 2.67Å; R684-E814 IonicContact NH2-OE2 3.17Å; R684-E814 PolarHBondContact NH2-OE2 3.4Å; R684-T845 VanDerWaalsContact CD-O 3.31Å; R684-T845 WeakPolarHBondContact CD-O 3.22Å; R684-T845 PolarHBondContact NH1-O 2.92Å; R684-A847 WeakPolarHBondContact CG-O 3.45Å; R684-K848 HydrophobicContact CG-CG 3.77Å; R684-K848 WeakPolarHBondContact O-CA 3.38Å; R684-K848 WeakPolarHBondContact O-CB 3.42Å
685	M	97.1	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.15	C	C	.	.	S	Bend	trans	-102	149.1	-156.4	-55.1	179.4	-83.9	0	0	112.6	P475 Q682 L689 V706 T845 A847	P475-M685 HydrophobicContact CB-CE 4.34Å; Q682-M685 HydrophobicContact CG-CE 4.43Å; Q682-M685 PolarHBondContact NE2-O 3.1Å; M685-L689 HydrophobicContact CB-CB 4.18Å; M685-L689 HydrophobicContact CB-CD1 4.48Å; M685-V706 WeakPolarHBondContact O-CG2 3.3Å; M685-T845 HydrophobicContact CE-CG2 4.05Å; M685-T845 HydrophobicContact SD-CG2 3.85Å; M685-A847 WeakPolarHBondContact CG-O 3.36Å
686	H	98.1	Very high	95.7	Very high	11 Å²	11	24.9 Å²	24.9	5%	0.051	13%	0.13	C	C	.	.			trans	-55.2	138.4	162.4	-175.2	-90.4	0	0	0	110.5	A688 L689 S690 A708 R711 D724 P726 K848	H686-A688 VanDerWaalsContact C-N 3.26Å; H686-A688 WeakPolarHBondContact ND1-CB 3.2Å; H686-A688 PolarHBondContact ND1-N 3.35Å; H686-A688 PolarHBondContact O-N 2.78Å; H686-A688 VanDerWaalsContact O-N 3.09Å; H686-L689 HydrophobicContact CB-CD1 3.94Å; H686-L689 HydrophobicContact CB-CG 4.07Å; H686-L689 WeakPolarHBondContact O-CB 3.17Å; H686-L689 PolarHBondContact O-N 2.77Å; H686-S690 PolarHBondContact O-N 3.34Å; H686-A708 WeakPolarHBondContact NE2-CA 3.25Å; H686-A708 WeakPolarHBondContact NE2-CB 3.32Å; H686-R711 HydrophobicContact CB-CB 3.71Å; H686-R711 HydrophobicContact CB-CG 4.37Å; H686-D724 PolarHBondContact CE1-O 3.21Å; H686-D724 VanDerWaalsContact CE1-O 3.27Å; H686-P726 HydrophobicContact CB-CG 4.08Å; H686-P726 WeakPolarHBondContact ND1-CD 3.43Å; H686-K848 PolarHBondContact N-O 2.94Å
687	P	97.8	Very high	95.5	Very high	34 Å²	34	24.7 Å²	24.7	22%	0.221	13%	0.127	C	C	.	.	H	α-helix	trans	-52.7	-34.1	-175	-32	37.6	0	0	0	116.1	L689 S690 A691 N704	P687-L689 PolarHBondContact O-N 3.08Å; P687-S690 PolarHBondContact O-N 3Å; P687-S690 PolarHBondContact O-OG 3.38Å; P687-S690 VanDerWaalsContact O-OG 3.06Å; P687-A691 PolarHBondContact O-N 3.31Å; P687-N704 HydrophobicContact CG-CB 4.38Å
688	A	97.7	Very high	95.2	Very high	18 Å²	18	24 Å²	24	15%	0.149	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-29.2	176.2	0	0	0	0	0	113.6	H686 K725 M727 Y872	H686-A688 VanDerWaalsContact C-N 3.26Å; H686-A688 WeakPolarHBondContact ND1-CB 3.2Å; H686-A688 PolarHBondContact ND1-N 3.35Å; H686-A688 PolarHBondContact O-N 2.78Å; H686-A688 VanDerWaalsContact O-N 3.09Å; A688-K725 HydrophobicContact CB-CB 4.42Å; A688-K725 HydrophobicContact CB-CG 4.25Å; A688-M727 HydrophobicContact CB-CE 4.27Å; A688-Y872 PolarHBondContact O-OH 3.48Å
689	L	97.7	Very high	94.9	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.052	14%	0.14	C	C	.	.	H	α-helix	trans	-80.7	-36.1	-179.1	-53.4	176.1	0	0	0	111.9	M685 H686 P687 P693 M727 A847 V851	M685-L689 HydrophobicContact CB-CB 4.18Å; M685-L689 HydrophobicContact CB-CD1 4.48Å; H686-L689 HydrophobicContact CB-CD1 3.94Å; H686-L689 HydrophobicContact CB-CG 4.07Å; H686-L689 WeakPolarHBondContact O-CB 3.17Å; H686-L689 PolarHBondContact O-N 2.77Å; P687-L689 PolarHBondContact O-N 3.08Å; L689-P693 WeakPolarHBondContact O-CD 3.49Å; L689-M727 HydrophobicContact CD2-CB 3.69Å; L689-M727 HydrophobicContact CD2-CG 4.23Å; L689-M727 HydrophobicContact CD2-SD 4.08Å; L689-A847 HydrophobicContact CD1-CB 4.44Å; L689-V851 HydrophobicContact CD1-CG2 4.28Å; L689-V851 HydrophobicContact CD2-CB 4.09Å; L689-V851 HydrophobicContact CD2-CG2 3.9Å
690	S	96.8	Very high	94.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-77.2	-22	-178.5	60.6	0	0	0	0	113.3	H686 P687 P693 S694 N704	H686-S690 PolarHBondContact O-N 3.34Å; P687-S690 PolarHBondContact O-N 3Å; P687-S690 PolarHBondContact O-OG 3.38Å; P687-S690 VanDerWaalsContact O-OG 3.06Å; S690-P693 WeakPolarHBondContact O-CD 3.43Å; S690-S694 WeakPolarHBondContact O-CB 3.23Å; S690-S694 PolarHBondContact O-N 3.25Å; S690-N704 PolarHBondContact OG-ND2 2.81Å; S690-N704 PolarHBondContact OG-OD1 3.3Å
691	A	96.7	Very high	94.5	Very high	30 Å²	30	27.2 Å²	27.2	25%	0.248	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-51.7	-174.8	0	0	0	0	0	114.1	P687 S694 N695 Y872	P687-A691 PolarHBondContact O-N 3.31Å; A691-S694 PolarHBondContact O-N 3.44Å; A691-N695 WeakPolarHBondContact O-CB 3.36Å; A691-N695 PolarHBondContact O-N 2.83Å; A691-N695 PolarHBondContact O-ND2 2.85Å; A691-N695 PolarHBondContact O-OD1 3.49Å; A691-Y872 WeakPolarHBondContact CB-OH 3.45Å
692	F	95.9	Very high	94.3	Very high	10 Å²	10	27.2 Å²	27.2	4%	0.044	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-49.2	179.2	178.2	-83.7	0	0	0	112.5	S694 N695 I696 L844 L865 L869 Y872	F692-S694 VanDerWaalsContact C-N 3.33Å; F692-S694 PolarHBondContact O-N 3.42Å; F692-N695 PolarHBondContact O-N 3.06Å; F692-I696 HydrophobicContact CD1-CG1 4.23Å; F692-I696 HydrophobicContact CD2-CG1 4Å; F692-I696 HydrophobicContact CE1-CB 4.4Å; F692-I696 HydrophobicContact CE1-CG1 3.96Å; F692-I696 HydrophobicContact CE2-CD1 4.25Å; F692-I696 HydrophobicContact CE2-CG1 3.71Å; F692-I696 HydrophobicContact CG-CG1 4.26Å; F692-I696 HydrophobicContact CZ-CD1 4.46Å; F692-I696 HydrophobicContact CZ-CG1 3.71Å; F692-I696 WeakPolarHBondContact O-CB 3.35Å; F692-I696 WeakPolarHBondContact O-CG1 3.46Å; F692-I696 PolarHBondContact O-N 2.9Å; F692-L844 HydrophobicContact CD1-CD1 3.86Å; F692-L844 HydrophobicContact CE1-CD1 4.04Å; F692-L865 HydrophobicContact CZ-CD1 4.48Å; F692-L869 HydrophobicContact CD1-CD1 3.67Å; F692-L869 HydrophobicContact CD2-CD1 4.1Å; F692-L869 HydrophobicContact CE1-CB 4.28Å; F692-L869 HydrophobicContact CE1-CD1 3.57Å; F692-L869 HydrophobicContact CE1-CG 4.5Å; F692-L869 VanDerWaalsContact CE2-CA 3.49Å; F692-L869 HydrophobicContact CE2-CB 4.06Å; F692-L869 HydrophobicContact CE2-CD1 4Å; F692-L869 HydrophobicContact CG-CD1 3.94Å; F692-L869 HydrophobicContact CZ-CB 3.69Å; F692-L869 HydrophobicContact CZ-CD1 3.73Å; F692-L869 HydrophobicContact CZ-CG 4.33Å; F692-Y872 HydrophobicContact CB-CD1 3.83Å; F692-Y872 HydrophobicContact CB-CE1 3.7Å; F692-Y872 HydrophobicContact CB-CG 4.42Å; F692-Y872 AromaticContact CD2-CD1 3.82Å; F692-Y872 HydrophobicContact CD2-CD1 3.82Å; F692-Y872 AromaticContact CD2-CG 3.82Å; F692-Y872 HydrophobicContact CD2-CG 3.82Å; F692-Y872 HydrophobicContact CG-CD1 4.17Å
693	P	95	Very high	94.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-40.9	174.4	-26.7	35.8	0	0	0	113.7	L689 S690 F697 Y698 L844 T845	L689-P693 WeakPolarHBondContact O-CD 3.49Å; S690-P693 WeakPolarHBondContact O-CD 3.43Å; P693-F697 HydrophobicContact CB-CD2 4.08Å; P693-F697 HydrophobicContact CB-CE2 4.45Å; P693-F697 WeakPolarHBondContact O-CB 3.28Å; P693-F697 WeakPolarHBondContact O-CD2 3.39Å; P693-F697 PolarHBondContact O-N 2.98Å; P693-Y698 WeakPolarHBondContact O-CD2 3.46Å; P693-L844 HydrophobicContact CG-CB 4.12Å; P693-L844 HydrophobicContact CG-CD1 4.41Å; P693-T845 HydrophobicContact CB-CG2 3.78Å; P693-T845 HydrophobicContact CG-CG2 3.75Å
694	S	94.6	Very high	94.4	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-55.2	175.5	-175.4	0	0	0	0	111.3	S690 A691 F692 I696 Y698 E699 G700 L702	S690-S694 WeakPolarHBondContact O-CB 3.23Å; S690-S694 PolarHBondContact O-N 3.25Å; A691-S694 PolarHBondContact O-N 3.44Å; F692-S694 VanDerWaalsContact C-N 3.33Å; F692-S694 PolarHBondContact O-N 3.42Å; S694-I696 PolarHBondContact O-N 3.03Å; S694-Y698 CarbonylContact O-C 3.54Å; S694-Y698 VanDerWaalsContact O-C 3.23Å; S694-Y698 WeakPolarHBondContact O-CA 3.49Å; S694-Y698 PolarHBondContact O-N 3.03Å; S694-E699 PolarHBondContact O-N 2.86Å; S694-G700 PolarHBondContact O-N 2.73Å; S694-G700 VanDerWaalsContact OG-C 3.26Å; S694-G700 WeakPolarHBondContact OG-CA 3.41Å; S694-G700 PolarHBondContact OG-O 3.46Å; S694-L702 WeakPolarHBondContact OG-CB 3.48Å; S694-L702 PolarHBondContact OG-N 3.31Å; S694-L702 PolarHBondContact OG-O 3.29Å
695	N	92.9	Very high	94.4	Very high	102 Å²	102	30.9 Å²	30.9	55%	0.545	19%	0.186	S	C	.	.	H	α-helix	trans	-66.6	-36.1	-173.9	-67.2	-8.2	0	0	0	112.9	A691 F692	A691-N695 WeakPolarHBondContact O-CB 3.36Å; A691-N695 PolarHBondContact O-N 2.83Å; A691-N695 PolarHBondContact O-ND2 2.85Å; A691-N695 PolarHBondContact O-OD1 3.49Å; F692-N695 PolarHBondContact O-N 3.06Å
696	I	91.1	Very high	94.3	Very high	43 Å²	43	31.7 Å²	31.7	22%	0.221	19%	0.191	C	C	.	.	H	α-helix	trans	-89.5	-41.8	-173.6	-61.3	-63.1	0	0	0	113	F692 S694 L865 L900	F692-I696 HydrophobicContact CD1-CG1 4.23Å; F692-I696 HydrophobicContact CD2-CG1 4Å; F692-I696 HydrophobicContact CE1-CB 4.4Å; F692-I696 HydrophobicContact CE1-CG1 3.96Å; F692-I696 HydrophobicContact CE2-CD1 4.25Å; F692-I696 HydrophobicContact CE2-CG1 3.71Å; F692-I696 HydrophobicContact CG-CG1 4.26Å; F692-I696 HydrophobicContact CZ-CD1 4.46Å; F692-I696 HydrophobicContact CZ-CG1 3.71Å; F692-I696 WeakPolarHBondContact O-CB 3.35Å; F692-I696 WeakPolarHBondContact O-CG1 3.46Å; F692-I696 PolarHBondContact O-N 2.9Å; S694-I696 PolarHBondContact O-N 3.03Å; I696-L865 HydrophobicContact CG2-CD1 3.64Å; I696-L900 HydrophobicContact CG2-CD1 4.34Å
697	F	89.8	Confident	94.3	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-100.7	-23.3	-174.3	-53.5	-64.5	0	0	0	113.7	C645 P693 P837 N841 L865	C645-F697 HydrophobicContact CB-CB 4.36Å; P693-F697 HydrophobicContact CB-CD2 4.08Å; P693-F697 HydrophobicContact CB-CE2 4.45Å; P693-F697 WeakPolarHBondContact O-CB 3.28Å; P693-F697 WeakPolarHBondContact O-CD2 3.39Å; P693-F697 PolarHBondContact O-N 2.98Å; F697-P837 HydrophobicContact CE1-CB 3.93Å; F697-P837 WeakPolarHBondContact CE1-O 3.43Å; F697-N841 HydrophobicContact CD1-CB 4.26Å; F697-N841 HydrophobicContact CD2-CB 3.62Å; F697-N841 WeakPolarHBondContact CD2-OD1 3.4Å; F697-N841 HydrophobicContact CE1-CB 4.13Å; F697-N841 HydrophobicContact CE2-CB 3.48Å; F697-N841 VanDerWaalsContact CE2-CB 3.48Å; F697-N841 HydrophobicContact CG-CB 4.03Å; F697-N841 HydrophobicContact CZ-CB 3.75Å; F697-L865 HydrophobicContact CE1-CD1 4.2Å; F697-L865 HydrophobicContact CE1-CD2 4.44Å; F697-L865 HydrophobicContact CZ-CD1 4.13Å; F697-L865 HydrophobicContact CZ-CD2 4.38Å
698	Y	90.9	Very high	94.1	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	22%	0.217	C	C	.	.	S	Bend	trans	-128.1	26.1	-170.2	-53.4	-74.8	0	0	0	113.9	P474 P475 D643 C645 P693 S694 G700 S701 N841	P474-Y698 HydrophobicContact CB-CD1 4.02Å; P474-Y698 HydrophobicContact CB-CD2 4.38Å; P474-Y698 HydrophobicContact CB-CE1 3.71Å; P474-Y698 HydrophobicContact CB-CE2 4.12Å; P474-Y698 HydrophobicContact CB-CG 4.34Å; P474-Y698 HydrophobicContact CG-CD1 3.66Å; P474-Y698 HydrophobicContact CG-CE1 3.65Å; P474-Y698 HydrophobicContact CG-CG 4.25Å; P475-Y698 WeakPolarHBondContact CD-OH 3.43Å; D643-Y698 PolarHBondContact OD2-OH 3.35Å; C645-Y698 HydrophobicContact CB-CE1 3.65Å; P693-Y698 WeakPolarHBondContact O-CD2 3.46Å; S694-Y698 CarbonylContact O-C 3.54Å; S694-Y698 VanDerWaalsContact O-C 3.23Å; S694-Y698 WeakPolarHBondContact O-CA 3.49Å; S694-Y698 PolarHBondContact O-N 3.03Å; Y698-G700 PolarHBondContact O-N 2.96Å; Y698-G700 VanDerWaalsContact O-N 3.07Å; Y698-S701 WeakPolarHBondContact O-CB 3.27Å; Y698-S701 PolarHBondContact O-N 3.18Å; Y698-S701 PolarHBondContact O-OG 2.9Å; Y698-N841 PolarHBondContact OH-ND2 3.24Å
699	E	89.3	Confident	94	Very high	92 Å²	92	37.9 Å²	37.9	43%	0.43	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	22.4	179.4	-62.3	97	-146.1	0	0	115.3	R678 S694 S701 N905	R678-E699 IonicContact CZ-OE2 2.76Å; R678-E699 IonicContact NH1-OE2 3.94Å; R678-E699 PolarHBondContact NH1-OE2 3.45Å; R678-E699 IonicContact NH2-OE2 3.72Å; R678-E699 PolarHBondContact NH2-OE2 3.25Å; S694-E699 PolarHBondContact O-N 2.86Å; E699-S701 PolarHBondContact O-N 3.23Å; E699-N905 PolarHBondContact OE1-ND2 3.09Å; E699-N905 PolarHBondContact OE2-ND2 3.12Å
700	G	90.1	Very high	93.9	Very high	36 Å²	36	41.4 Å²	41.4	37%	0.371	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.7	-172.5	0	0	0	0	0	114.4	S694 Y698 L702	S694-G700 PolarHBondContact O-N 2.73Å; S694-G700 VanDerWaalsContact OG-C 3.26Å; S694-G700 WeakPolarHBondContact OG-CA 3.41Å; S694-G700 PolarHBondContact OG-O 3.46Å; Y698-G700 PolarHBondContact O-N 2.96Å; Y698-G700 VanDerWaalsContact O-N 3.07Å; G700-L702 VanDerWaalsContact C-N 3.27Å; G700-L702 PolarHBondContact O-N 2.85Å
701	S	90.6	Very high	93.8	Very high	42 Å²	42	43.3 Å²	43.3	29%	0.294	27%	0.265	S	S	.	.			trans	-75.9	-5.1	-173.9	67.9	0	0	0	0	115.3	R678 Y698 E699 Q703	R678-S701 PolarHBondContact NH1-OG 3.01Å; Y698-S701 WeakPolarHBondContact O-CB 3.27Å; Y698-S701 PolarHBondContact O-N 3.18Å; Y698-S701 PolarHBondContact O-OG 2.9Å; E699-S701 PolarHBondContact O-N 3.23Å; S701-Q703 PolarHBondContact O-N 2.78Å
702	L	92.8	Very high	93.7	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.047	28%	0.282	C	S	.	.			trans	-84.1	109.8	-179.5	-169.8	64.5	0	0	0	111	P474 T477 Q682 S694 G700	P474-L702 HydrophobicContact CB-CD1 3.74Å; P474-L702 HydrophobicContact CB-CD2 4.23Å; P474-L702 HydrophobicContact CG-CD1 4.13Å; T477-L702 HydrophobicContact CG2-CD1 3.49Å; T477-L702 VanDerWaalsContact CG2-CD1 3.49Å; Q682-L702 HydrophobicContact CB-CD1 4Å; Q682-L702 HydrophobicContact CB-CD2 4.2Å; Q682-L702 HydrophobicContact CB-CG 4.11Å; Q682-L702 HydrophobicContact CG-CD2 4.22Å; Q682-L702 HydrophobicContact CG-CG 4.17Å; S694-L702 WeakPolarHBondContact OG-CB 3.48Å; S694-L702 PolarHBondContact OG-N 3.31Å; S694-L702 PolarHBondContact OG-O 3.29Å; G700-L702 VanDerWaalsContact C-N 3.27Å; G700-L702 PolarHBondContact O-N 2.85Å
703	Q	95.2	Very high	93.4	Very high	90 Å²	90	49 Å²	49	42%	0.421	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	152.8	179.1	-59.1	170.3	29.7	0	0	111.3	Q680 V681 Q682 S701	Q680-Q703 PolarHBondContact O-N 2.68Å; V681-Q703 WeakPolarHBondContact CA-O 3.26Å; V681-Q703 HydrophobicContact CG2-CB 4.26Å; Q682-Q703 PolarHBondContact N-O 3.11Å; S701-Q703 PolarHBondContact O-N 2.78Å
704	N	96.5	Very high	93.1	Very high	69 Å²	69	58.4 Å²	58.4	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.6	177.5	-66.8	-52.6	0	0	0	111	Q682 P687 S690 V706	Q682-N704 PolarHBondContact NE2-OD1 3.31Å; P687-N704 HydrophobicContact CG-CB 4.38Å; S690-N704 PolarHBondContact OG-ND2 2.81Å; S690-N704 PolarHBondContact OG-OD1 3.3Å; N704-V706 VanDerWaalsContact C-N 3.3Å
705	G	95.1	Very high	92.8	Very high	32 Å²	32	62 Å²	62	33%	0.33	37%	0.367	S	S	.	.	S	Bend	trans	-89.5	8.7	173.4	0	0	0	0	0	114.1	Q682 Y683	Q682-G705 WeakPolarHBondContact O-CA 3.35Å; Q682-G705 PolarHBondContact O-N 2.91Å; Y683-G705 WeakPolarHBondContact CD1-O 3.36Å
706	V	96.1	Very high	92.8	Very high	17 Å²	17	58.8 Å²	58.8	10%	0.103	35%	0.348	C	S	.	.	S	Bend	trans	-139.3	141.7	176	-68.7	0	0	0	0	108.9	Y683 M685 N704 D710 R711	Y683-V706 HydrophobicContact CD1-CG1 4.29Å; M685-V706 WeakPolarHBondContact O-CG2 3.3Å; N704-V706 VanDerWaalsContact C-N 3.3Å; V706-D710 HydrophobicContact CB-CB 4.16Å; V706-R711 HydrophobicContact CG2-CG 4.25Å
707	T	96.9	Very high	92.9	Very high	74 Å²	74	63.6 Å²	63.6	45%	0.454	37%	0.374	S	S	.	.			trans	-85	176.1	-178.5	69.6	0	0	0	0	112	A709 D710	T707-A709 VanDerWaalsContact C-N 3.33Å; T707-A709 PolarHBondContact OG1-N 3.34Å; T707-D710 VanDerWaalsContact CB-OD2 3.31Å; T707-D710 WeakPolarHBondContact CB-OD2 3.35Å; T707-D710 WeakPolarHBondContact CG2-OD2 3.32Å; T707-D710 PolarHBondContact N-OD2 3.41Å; T707-D710 VanDerWaalsContact OG1-CG 3.28Å; T707-D710 PolarHBondContact OG1-N 3.27Å; T707-D710 VanDerWaalsContact OG1-N 3.14Å; T707-D710 PolarHBondContact OG1-OD2 3.47Å
708	A	95.6	Very high	93.1	Very high	45 Å²	45	64 Å²	64	37%	0.372	38%	0.376	S	S	.	.	S	Bend	trans	-60.3	-43.1	167.1	0	0	0	0	0	111.7	H686 D710 R711 I712	H686-A708 WeakPolarHBondContact NE2-CA 3.25Å; H686-A708 WeakPolarHBondContact NE2-CB 3.32Å; A708-D710 VanDerWaalsContact C-N 3.35Å; A708-D710 PolarHBondContact O-N 3.14Å; A708-R711 CarbonylContact O-C 3.26Å; A708-R711 VanDerWaalsContact O-C 3.26Å; A708-R711 WeakPolarHBondContact O-CA 3.3Å; A708-R711 PolarHBondContact O-N 3.15Å; A708-I712 PolarHBondContact O-N 3.05Å; A708-I712 VanDerWaalsContact O-N 3.14Å
709	A	94.8	Very high	93.2	Very high	74 Å²	74	70.8 Å²	70.8	61%	0.612	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-62.4	-38.4	179.7	0	0	0	0	0	112.9	T707 R711 I712	T707-A709 VanDerWaalsContact C-N 3.33Å; T707-A709 PolarHBondContact OG1-N 3.34Å; A709-R711 PolarHBondContact O-N 2.89Å; A709-R711 VanDerWaalsContact O-N 3.12Å; A709-I712 PolarHBondContact O-N 3.25Å
710	D	94.6	Very high	93.5	Very high	84 Å²	84	67.7 Å²	67.7	45%	0.449	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-64.3	-14	173.8	-60.9	-58.7	0	0	0	113.2	V706 T707 A708	V706-D710 HydrophobicContact CB-CB 4.16Å; T707-D710 VanDerWaalsContact CB-OD2 3.31Å; T707-D710 WeakPolarHBondContact CB-OD2 3.35Å; T707-D710 WeakPolarHBondContact CG2-OD2 3.32Å; T707-D710 PolarHBondContact N-OD2 3.41Å; T707-D710 VanDerWaalsContact OG1-CG 3.28Å; T707-D710 PolarHBondContact OG1-N 3.27Å; T707-D710 VanDerWaalsContact OG1-N 3.14Å; T707-D710 PolarHBondContact OG1-OD2 3.47Å; A708-D710 VanDerWaalsContact C-N 3.35Å; A708-D710 PolarHBondContact O-N 3.14Å
711	R	96.1	Very high	93.8	Very high	42 Å²	42	67.6 Å²	67.6	16%	0.158	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-126.1	25.1	-176.1	-65.2	-65.4	178.3	-85.7	2.3	112.9	Y683 R684 H686 V706 A708 A709 Y849	Y683-R711 PolarHBondContact O-NH2 2.69Å; R684-R711 PolarHBondContact O-NE 3.2Å; H686-R711 HydrophobicContact CB-CB 3.71Å; H686-R711 HydrophobicContact CB-CG 4.37Å; V706-R711 HydrophobicContact CG2-CG 4.25Å; A708-R711 CarbonylContact O-C 3.26Å; A708-R711 VanDerWaalsContact O-C 3.26Å; A708-R711 WeakPolarHBondContact O-CA 3.3Å; A708-R711 PolarHBondContact O-N 3.15Å; A709-R711 PolarHBondContact O-N 2.89Å; A709-R711 VanDerWaalsContact O-N 3.12Å; R711-Y849 VanDerWaalsContact O-CD1 3.25Å; R711-Y849 WeakPolarHBondContact O-CD1 3.36Å
712	I	93.1	Very high	94	Very high	117 Å²	117	67.9 Å²	67.9	60%	0.6	38%	0.382	S	S	*	.	S	Bend	trans	-93.1	128.3	156.5	-69.7	161.9	0	0	0	108.3	A708 A709	A708-I712 PolarHBondContact O-N 3.05Å; A708-I712 VanDerWaalsContact O-N 3.14Å; A709-I712 PolarHBondContact O-N 3.25Å
713	K	90.5	Very high	94.1	Very high	41 Å²	41	72.9 Å²	72.9	18%	0.178	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-79.5	124.2	-180	-174.7	77.6	168.5	-171.2	0	109.4	F716 Q770 D816 F817 Y849	K713-F716 HydrophobicContact CB-CB 3.7Å; K713-F716 HydrophobicContact CB-CD1 3.97Å; K713-F716 HydrophobicContact CB-CG 4Å; K713-F716 HydrophobicContact CG-CB 3.56Å; K713-F716 HydrophobicContact CG-CD1 4.4Å; K713-F716 HydrophobicContact CG-CG 3.96Å; K713-Q770 VanDerWaalsContact NZ-CD 3.34Å; K713-D816 IonicContact NZ-OD2 3.71Å; K713-D816 PolarHBondContact NZ-OD2 3.36Å; K713-F817 HydrophobicContact CB-CZ 4.37Å; K713-F817 HydrophobicContact CG-CZ 4.35Å; K713-Y849 HydrophobicContact CB-CD1 3.79Å; K713-Y849 HydrophobicContact CB-CE1 4.06Å; K713-Y849 HydrophobicContact CB-CG 4.39Å; K713-Y849 HydrophobicContact CD-CD1 4.36Å; K713-Y849 HydrophobicContact CD-CE1 4.18Å; K713-Y849 HydrophobicContact CD-CE2 4.33Å
714	K	88.6	Confident	94	Very high	201 Å²	201	73.3 Å²	73.3	87%	0.874	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	136.7	176.3	-64.6	-174.9	179.2	-176.7	0	110.6
715	G	88.9	Confident	94	Very high	80 Å²	80	71.5 Å²	71.5	83%	0.825	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	33.6	178.3	0	0	0	0	0	113.9
716	F	93.2	Very high	94.1	Very high	35 Å²	35	70.6 Å²	70.6	15%	0.154	40%	0.397	C	S	.	.			trans	-125.2	103.9	-176	177.3	-110.6	0	0	0	110.8	K713 F718 W720 L761 A764 A766 F817	K713-F716 HydrophobicContact CB-CB 3.7Å; K713-F716 HydrophobicContact CB-CD1 3.97Å; K713-F716 HydrophobicContact CB-CG 4Å; K713-F716 HydrophobicContact CG-CB 3.56Å; K713-F716 HydrophobicContact CG-CD1 4.4Å; K713-F716 HydrophobicContact CG-CG 3.96Å; F716-F718 HydrophobicContact CD1-CB 4.1Å; F716-F718 HydrophobicContact CE1-CB 3.41Å; F716-F718 VanDerWaalsContact CE1-CB 3.41Å; F716-F718 HydrophobicContact CE1-CG 4.24Å; F716-F718 HydrophobicContact CE2-CB 4.04Å; F716-F718 HydrophobicContact CZ-CB 3.37Å; F716-F718 HydrophobicContact CZ-CD2 4.33Å; F716-F718 AromaticContact CZ-CG 3.94Å; F716-F718 HydrophobicContact CZ-CG 3.94Å; F716-F718 PolarHBondContact O-N 2.98Å; F716-W720 HydrophobicContact CE1-CZ2 4.35Å; F716-L761 HydrophobicContact CE2-CD2 4.23Å; F716-L761 HydrophobicContact CZ-CD2 3.75Å; F716-A764 VanDerWaalsContact CA-O 3.29Å; F716-A764 WeakPolarHBondContact CA-O 3.45Å; F716-A764 HydrophobicContact CD2-CB 3.91Å; F716-A764 WeakPolarHBondContact CD2-O 3.08Å; F716-A764 HydrophobicContact CE2-CB 3.66Å; F716-A764 HydrophobicContact CZ-CB 4.39Å; F716-A766 HydrophobicContact CD2-CB 4.43Å; F716-A766 HydrophobicContact CE2-CB 4Å; F716-F817 HydrophobicContact CD1-CE1 4.42Å; F716-F817 AromaticContact CD1-CZ 3.94Å; F716-F817 HydrophobicContact CD1-CZ 3.94Å; F716-F817 HydrophobicContact CD2-CE2 4.39Å; F716-F817 HydrophobicContact CD2-CZ 4.1Å; F716-F817 AromaticContact CE1-CE1 3.59Å; F716-F817 HydrophobicContact CE1-CE1 3.59Å; F716-F817 HydrophobicContact CE1-CE2 4.47Å; F716-F817 AromaticContact CE1-CZ 3.44Å; F716-F817 HydrophobicContact CE1-CZ 3.44Å; F716-F817 VanDerWaalsContact CE1-CZ 3.44Å; F716-F817 HydrophobicContact CE2-CE1 4.34Å; F716-F817 AromaticContact CE2-CE2 3.9Å; F716-F817 HydrophobicContact CE2-CE2 3.9Å; F716-F817 AromaticContact CE2-CZ 3.65Å; F716-F817 HydrophobicContact CE2-CZ 3.65Å; F716-F817 HydrophobicContact CG-CZ 4.23Å; F716-F817 HydrophobicContact CZ-CD1 4.36Å; F716-F817 AromaticContact CZ-CE1 3.54Å; F716-F817 HydrophobicContact CZ-CE1 3.54Å; F716-F817 AromaticContact CZ-CE2 3.93Å; F716-F817 HydrophobicContact CZ-CE2 3.93Å; F716-F817 AromaticContact CZ-CZ 3.28Å; F716-F817 HydrophobicContact CZ-CZ 3.28Å
717	D	92.5	Very high	94.2	Very high	144 Å²	144	69.9 Å²	69.9	77%	0.77	39%	0.392	S	S	*	.			trans	-97.6	82.9	-178.5	-173.9	16.6	0	0	0	110.9	A764	D717-A764 PolarHBondContact N-O 2.76Å; D717-A764 VanDerWaalsContact N-O 3.15Å; D717-A764 WeakPolarHBondContact O-CB 3.48Å
718	F	93.8	Very high	94.3	Very high	20 Å²	20	66.4 Å²	66.4	9%	0.088	37%	0.371	C	S	.	.			trans	-125.3	113.3	174.9	-171.6	-82.5	0	0	0	110.3	F716 W720 F728 R760 L761 A764 I852	F716-F718 HydrophobicContact CD1-CB 4.1Å; F716-F718 HydrophobicContact CE1-CB 3.41Å; F716-F718 VanDerWaalsContact CE1-CB 3.41Å; F716-F718 HydrophobicContact CE1-CG 4.24Å; F716-F718 HydrophobicContact CE2-CB 4.04Å; F716-F718 HydrophobicContact CZ-CB 3.37Å; F716-F718 HydrophobicContact CZ-CD2 4.33Å; F716-F718 AromaticContact CZ-CG 3.94Å; F716-F718 HydrophobicContact CZ-CG 3.94Å; F716-F718 PolarHBondContact O-N 2.98Å; F718-W720 AromaticContact CD1-CD2 3.73Å; F718-W720 HydrophobicContact CD1-CD2 3.73Å; F718-W720 AromaticContact CD1-CE2 3.58Å; F718-W720 HydrophobicContact CD1-CE3 4.26Å; F718-W720 HydrophobicContact CD1-CG 4.03Å; F718-W720 HydrophobicContact CD1-CH2 4.48Å; F718-W720 AromaticContact CD1-CZ2 3.98Å; F718-W720 HydrophobicContact CD1-CZ2 3.98Å; F718-W720 AromaticContact CD1-NE1 3.79Å; F718-W720 AromaticContact CE1-CD2 3.86Å; F718-W720 HydrophobicContact CE1-CD2 3.86Å; F718-W720 AromaticContact CE1-CE3 3.92Å; F718-W720 HydrophobicContact CE1-CE3 3.92Å; F718-W720 HydrophobicContact CE1-CG 4.41Å; F718-W720 HydrophobicContact CE1-CH2 4.3Å; F718-W720 HydrophobicContact CE1-CZ2 4.26Å; F718-W720 HydrophobicContact CE1-CZ3 4.14Å; F718-W720 VanDerWaalsContact O-CD1 3.22Å; F718-W720 PolarHBondContact O-N 3.02Å; F718-W720 VanDerWaalsContact O-N 3.11Å; F718-F728 HydrophobicContact CE1-CE1 4.06Å; F718-F728 HydrophobicContact CZ-CE1 4.19Å; F718-F728 HydrophobicContact CZ-CZ 4.43Å; F718-R760 HydrophobicContact CD2-CG 4.11Å; F718-R760 HydrophobicContact CE2-CB 4.17Å; F718-R760 HydrophobicContact CE2-CG 3.81Å; F718-L761 HydrophobicContact CD2-CD2 3.77Å; F718-L761 HydrophobicContact CD2-CG 4.49Å; F718-L761 HydrophobicContact CE2-CD2 3.76Å; F718-L761 HydrophobicContact CE2-CG 4.19Å; F718-L761 HydrophobicContact CG-CD2 4.35Å; F718-L761 HydrophobicContact CZ-CD2 4.35Å; F718-A764 HydrophobicContact CB-CB 3.93Å; F718-A764 HydrophobicContact CD2-CB 4.23Å; F718-I852 HydrophobicContact CZ-CD1 4.06Å
719	Q	93.3	Very high	94.4	Very high	143 Å²	143	64.2 Å²	64.2	67%	0.668	35%	0.353	S	S	*	.			trans	-74	99.7	177	-167.3	177	20.7	0	0	111.2
720	W	96.2	Very high	94.6	Very high	27 Å²	27	61.4 Å²	61.4	10%	0.102	33%	0.327	C	S	.	.			trans	-73	150.3	169.7	-61.1	95.8	0	0	0	111.1	F716 F718 Q722 P726 F728 F817 I852	F716-W720 HydrophobicContact CE1-CZ2 4.35Å; F718-W720 AromaticContact CD1-CD2 3.73Å; F718-W720 HydrophobicContact CD1-CD2 3.73Å; F718-W720 AromaticContact CD1-CE2 3.58Å; F718-W720 HydrophobicContact CD1-CE3 4.26Å; F718-W720 HydrophobicContact CD1-CG 4.03Å; F718-W720 HydrophobicContact CD1-CH2 4.48Å; F718-W720 AromaticContact CD1-CZ2 3.98Å; F718-W720 HydrophobicContact CD1-CZ2 3.98Å; F718-W720 AromaticContact CD1-NE1 3.79Å; F718-W720 AromaticContact CE1-CD2 3.86Å; F718-W720 HydrophobicContact CE1-CD2 3.86Å; F718-W720 AromaticContact CE1-CE3 3.92Å; F718-W720 HydrophobicContact CE1-CE3 3.92Å; F718-W720 HydrophobicContact CE1-CG 4.41Å; F718-W720 HydrophobicContact CE1-CH2 4.3Å; F718-W720 HydrophobicContact CE1-CZ2 4.26Å; F718-W720 HydrophobicContact CE1-CZ3 4.14Å; F718-W720 VanDerWaalsContact O-CD1 3.22Å; F718-W720 PolarHBondContact O-N 3.02Å; F718-W720 VanDerWaalsContact O-N 3.11Å; W720-Q722 PolarHBondContact O-N 3.33Å; W720-P726 VanDerWaalsContact CD2-CA 3.49Å; W720-P726 HydrophobicContact CD2-CB 4Å; W720-P726 VanDerWaalsContact CE3-C 3.46Å; W720-P726 HydrophobicContact CE3-CB 4.4Å; W720-P726 HydrophobicContact CH2-CB 4.25Å; W720-P726 HydrophobicContact CZ2-CB 3.81Å; W720-P726 WeakPolarHBondContact CZ3-O 3.08Å; W720-F728 AromaticContact CE3-CD1 3.75Å; W720-F728 HydrophobicContact CE3-CD1 3.75Å; W720-F728 AromaticContact CE3-CE1 3.91Å; W720-F728 HydrophobicContact CE3-CE1 3.91Å; W720-F728 AromaticContact CZ3-CD1 3.84Å; W720-F728 HydrophobicContact CZ3-CD1 3.84Å; W720-F728 AromaticContact CZ3-CE1 3.85Å; W720-F728 HydrophobicContact CZ3-CE1 3.85Å; W720-F817 HydrophobicContact CZ2-CD1 4.41Å; W720-F817 HydrophobicContact CZ2-CE1 4.21Å; W720-I852 HydrophobicContact CH2-CD1 4.14Å; W720-I852 HydrophobicContact CH2-CG1 4.1Å; W720-I852 HydrophobicContact CZ3-CD1 4.05Å; W720-I852 HydrophobicContact CZ3-CG1 3.78Å
721	P	95.1	Very high	94.7	Very high	34 Å²	34	58.1 Å²	58.1	22%	0.221	31%	0.31	C	S	.	.	S	Bend	trans	-60.7	-30.2	177	-25.1	35.4	0	0	0	114.2	F728 V880 L887	P721-F728 HydrophobicContact CG-CB 3.98Å; P721-F728 HydrophobicContact CG-CD1 4.11Å; P721-F728 HydrophobicContact CG-CG 3.98Å; P721-V880 HydrophobicContact CB-CG1 3.87Å; P721-V880 HydrophobicContact CG-CG1 4.05Å; P721-V880 HydrophobicContact CG-CG2 4.13Å; P721-L887 HydrophobicContact CG-CD1 3.95Å
722	Q	95.9	Very high	94.6	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-125.5	111.9	167.9	-61.5	-60.2	-32.5	0	0	106.8	W720 D724 K725 K877 V878	W720-Q722 PolarHBondContact O-N 3.33Å; Q722-D724 PolarHBondContact O-N 3.37Å; Q722-D724 VanDerWaalsContact O-N 3.12Å; Q722-K725 HydrophobicContact CB-CB 4.16Å; Q722-K725 HydrophobicContact CB-CD 4.27Å; Q722-K725 HydrophobicContact CB-CG 4.47Å; Q722-K725 CarbonylContact O-C 3.53Å; Q722-K725 PolarHBondContact O-N 3.06Å; Q722-K725 VanDerWaalsContact O-O 3.09Å; Q722-K877 HydrophobicContact CG-CB 4.12Å; Q722-K877 VanDerWaalsContact CG-O 3.3Å; Q722-K877 WeakPolarHBondContact CG-O 3.33Å; Q722-K877 VanDerWaalsContact NE2-CB 3.3Å; Q722-K877 PolarHBondContact NE2-O 3.33Å; Q722-K877 VanDerWaalsContact NE2-O 3.16Å; Q722-V878 HydrophobicContact CB-CG1 3.91Å; Q722-V878 HydrophobicContact CG-CG1 3.58Å
723	P	93.3	Very high	94.3	Very high	114 Å²	114	56 Å²	56	74%	0.74	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.2	-171.2	-28.4	36.4	0	0	0	115.5
724	D	94.6	Very high	94	Very high	98 Å²	98	54.6 Å²	54.6	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12	176.9	67.5	-46.4	0	0	0	113.7	H686 Q722	H686-D724 PolarHBondContact CE1-O 3.21Å; H686-D724 VanDerWaalsContact CE1-O 3.27Å; Q722-D724 PolarHBondContact O-N 3.37Å; Q722-D724 VanDerWaalsContact O-N 3.12Å
725	K	96.4	Very high	93.7	Very high	31 Å²	31	51.7 Å²	51.7	14%	0.135	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-125.8	98.2	-174.6	-61.1	170.1	-146.7	-177.2	0	109.4	A688 Q722 M727 Q876 V878	A688-K725 HydrophobicContact CB-CB 4.42Å; A688-K725 HydrophobicContact CB-CG 4.25Å; Q722-K725 HydrophobicContact CB-CB 4.16Å; Q722-K725 HydrophobicContact CB-CD 4.27Å; Q722-K725 HydrophobicContact CB-CG 4.47Å; Q722-K725 CarbonylContact O-C 3.53Å; Q722-K725 PolarHBondContact O-N 3.06Å; Q722-K725 VanDerWaalsContact O-O 3.09Å; K725-M727 HydrophobicContact CB-CG 4.49Å; K725-M727 PolarHBondContact O-N 2.73Å; K725-Q876 HydrophobicContact CD-CB 4.3Å; K725-Q876 PolarHBondContact NZ-O 3.14Å; K725-V878 HydrophobicContact CB-CG1 4.24Å; K725-V878 HydrophobicContact CD-CG1 4.35Å
726	P	97.3	Very high	93.6	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.084	25%	0.254	C	S	.	.			trans	-77.5	53.5	179.7	33.5	-36.9	0	0	0	112.1	H686 W720 Y849 G850 V851	H686-P726 HydrophobicContact CB-CG 4.08Å; H686-P726 WeakPolarHBondContact ND1-CD 3.43Å; W720-P726 VanDerWaalsContact CD2-CA 3.49Å; W720-P726 HydrophobicContact CD2-CB 4Å; W720-P726 VanDerWaalsContact CE3-C 3.46Å; W720-P726 HydrophobicContact CE3-CB 4.4Å; W720-P726 HydrophobicContact CH2-CB 4.25Å; W720-P726 HydrophobicContact CZ2-CB 3.81Å; W720-P726 WeakPolarHBondContact CZ3-O 3.08Å; P726-Y849 WeakPolarHBondContact CB-O 3.29Å; P726-Y849 WeakPolarHBondContact CG-O 3.29Å; P726-G850 CarbonylContact O-C 3.51Å; P726-G850 WeakPolarHBondContact O-CA 2.97Å; P726-V851 PolarHBondContact O-N 3.19Å; P726-V851 VanDerWaalsContact O-N 3.08Å
727	M	98.1	Very high	93.1	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.1	174.8	61.5	-175.1	-176.5	0	0	111.6	A688 L689 K725 V851 Y872 Y873 V878	A688-M727 HydrophobicContact CB-CE 4.27Å; L689-M727 HydrophobicContact CD2-CB 3.69Å; L689-M727 HydrophobicContact CD2-CG 4.23Å; L689-M727 HydrophobicContact CD2-SD 4.08Å; K725-M727 HydrophobicContact CB-CG 4.49Å; K725-M727 PolarHBondContact O-N 2.73Å; M727-V851 WeakPolarHBondContact CA-O 3.25Å; M727-V851 WeakPolarHBondContact CB-O 3.45Å; M727-Y872 HydrophobicContact CE-CE1 3.9Å; M727-Y873 HydrophobicContact CB-CE1 4.24Å; M727-Y873 HydrophobicContact CG-CE1 4.26Å; M727-Y873 HydrophobicContact SD-CE1 4.42Å; M727-Y873 HydrophobicContact SD-CE2 4.45Å; M727-V878 HydrophobicContact CE-CG2 4.28Å; M727-V878 HydrophobicContact CG-CG2 4.38Å; M727-V878 WeakPolarHBondContact O-CB 3.21Å; M727-V878 WeakPolarHBondContact O-CG1 3.2Å
728	F	98.4	Very high	92.5	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156.1	164.4	61.4	-81.7	0	0	0	112.7	F718 W720 P721 Y730 V851 I852 I853 V878 V880 L887	F718-F728 HydrophobicContact CE1-CE1 4.06Å; F718-F728 HydrophobicContact CZ-CE1 4.19Å; F718-F728 HydrophobicContact CZ-CZ 4.43Å; W720-F728 AromaticContact CE3-CD1 3.75Å; W720-F728 HydrophobicContact CE3-CD1 3.75Å; W720-F728 AromaticContact CE3-CE1 3.91Å; W720-F728 HydrophobicContact CE3-CE1 3.91Å; W720-F728 AromaticContact CZ3-CD1 3.84Å; W720-F728 HydrophobicContact CZ3-CD1 3.84Å; W720-F728 AromaticContact CZ3-CE1 3.85Å; W720-F728 HydrophobicContact CZ3-CE1 3.85Å; P721-F728 HydrophobicContact CG-CB 3.98Å; P721-F728 HydrophobicContact CG-CD1 4.11Å; P721-F728 HydrophobicContact CG-CG 3.98Å; F728-Y730 HydrophobicContact CE2-CD2 4.38Å; F728-Y730 HydrophobicContact CE2-CG 4.22Å; F728-V851 PolarHBondContact N-O 3.29Å; F728-I852 HydrophobicContact CD1-CG1 4.06Å; F728-I852 HydrophobicContact CD1-CG2 4.43Å; F728-I852 HydrophobicContact CD2-CG2 4.16Å; F728-I852 HydrophobicContact CE1-CB 4.4Å; F728-I852 HydrophobicContact CE1-CD1 3.59Å; F728-I852 HydrophobicContact CE1-CG1 3.59Å; F728-I852 HydrophobicContact CE1-CG2 3.98Å; F728-I852 HydrophobicContact CE2-CG2 3.69Å; F728-I852 HydrophobicContact CZ-CB 4.45Å; F728-I852 HydrophobicContact CZ-CD1 3.84Å; F728-I852 HydrophobicContact CZ-CG1 4.02Å; F728-I852 HydrophobicContact CZ-CG2 3.59Å; F728-I853 PolarHBondContact O-N 2.95Å; F728-V878 CarbonylContact C-O 3.5Å; F728-V878 VanDerWaalsContact CA-O 3.23Å; F728-V878 WeakPolarHBondContact CA-O 3.01Å; F728-V878 HydrophobicContact CB-CB 4.22Å; F728-V878 VanDerWaalsContact CB-O 3.29Å; F728-V878 WeakPolarHBondContact CB-O 3.44Å; F728-V880 HydrophobicContact CB-CG2 4.02Å; F728-V880 HydrophobicContact CD2-CG2 3.48Å; F728-V880 VanDerWaalsContact CD2-CG2 3.48Å; F728-V880 HydrophobicContact CE2-CG2 4.28Å; F728-V880 HydrophobicContact CG-CG2 4.08Å; F728-L887 HydrophobicContact CE2-CD1 4.16Å; F728-L887 HydrophobicContact CZ-CD1 4.36Å
729	F	98.5	Very high	91.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.8	167.9	-170.6	-67	0	0	0	107.6	V731 I853 G855 P857 L860 W866 L870 Y873 V878 L879 V880	F729-V731 HydrophobicContact CD1-CG2 4.21Å; F729-V731 HydrophobicContact CE1-CG2 4.48Å; F729-I853 CarbonylContact C-O 3.53Å; F729-I853 WeakPolarHBondContact CA-O 3.27Å; F729-I853 HydrophobicContact CD2-CB 3.76Å; F729-I853 HydrophobicContact CD2-CD1 4.3Å; F729-I853 HydrophobicContact CD2-CG2 3.57Å; F729-I853 HydrophobicContact CE2-CB 4.2Å; F729-I853 HydrophobicContact CE2-CG2 3.47Å; F729-I853 VanDerWaalsContact CE2-CG2 3.47Å; F729-I853 HydrophobicContact CG-CB 4.33Å; F729-I853 HydrophobicContact CG-CG2 4.47Å; F729-I853 HydrophobicContact CZ-CG2 4.31Å; F729-G855 WeakPolarHBondContact CE1-O 3.41Å; F729-P857 HydrophobicContact CD1-CG 4.43Å; F729-P857 HydrophobicContact CE1-CG 3.76Å; F729-P857 HydrophobicContact CZ-CG 4.37Å; F729-L860 HydrophobicContact CE2-CD1 3.99Å; F729-L860 HydrophobicContact CZ-CD1 3.7Å; F729-W866 HydrophobicContact CE2-CZ3 4.35Å; F729-L870 HydrophobicContact CD1-CD2 4.21Å; F729-L870 HydrophobicContact CD2-CD2 3.86Å; F729-L870 HydrophobicContact CE1-CD2 4.15Å; F729-L870 HydrophobicContact CE2-CD2 3.78Å; F729-L870 HydrophobicContact CG-CD2 4.1Å; F729-L870 HydrophobicContact CZ-CD2 3.95Å; F729-Y873 HydrophobicContact CB-CD1 3.63Å; F729-Y873 HydrophobicContact CB-CE1 4.25Å; F729-Y873 HydrophobicContact CB-CG 4.21Å; F729-V878 PolarHBondContact N-O 2.94Å; F729-L879 HydrophobicContact CB-CD1 3.82Å; F729-L879 HydrophobicContact CD1-CD1 3.54Å; F729-L879 HydrophobicContact CE1-CD1 4.45Å; F729-L879 HydrophobicContact CG-CD1 3.86Å; F729-V880 PolarHBondContact O-N 2.81Å
730	Y	98.1	Very high	90.4	Very high	14 Å²	14	37 Å²	37	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	101.6	-178.1	-170.6	-137.5	0	0	0	110.3	F728 T732 N753 I757 I853 V854 G855 V880 G882 L884 L887	F728-Y730 HydrophobicContact CE2-CD2 4.38Å; F728-Y730 HydrophobicContact CE2-CG 4.22Å; Y730-T732 PolarHBondContact O-N 3.08Å; Y730-T732 VanDerWaalsContact O-N 3.09Å; Y730-T732 PolarHBondContact O-OG1 2.95Å; Y730-N753 HydrophobicContact CD1-CB 4.16Å; Y730-N753 HydrophobicContact CE1-CB 3.71Å; Y730-N753 VanDerWaalsContact CE1-CG 3.46Å; Y730-N753 WeakPolarHBondContact CE1-ND2 3.46Å; Y730-I757 HydrophobicContact CD1-CD1 4Å; Y730-I853 PolarHBondContact N-O 3.03Å; Y730-V854 HydrophobicContact CD1-CG1 4.3Å; Y730-V854 HydrophobicContact CD1-CG2 4.43Å; Y730-G855 PolarHBondContact O-N 2.96Å; Y730-V880 WeakPolarHBondContact CA-O 3.44Å; Y730-G882 VanDerWaalsContact CE2-O 3.25Å; Y730-G882 WeakPolarHBondContact CE2-O 3.44Å; Y730-G882 PolarHBondContact OH-O 2.8Å; Y730-G882 VanDerWaalsContact OH-O 3.08Å; Y730-L884 HydrophobicContact CD1-CD2 4.23Å; Y730-L884 HydrophobicContact CD2-CD2 4.36Å; Y730-L884 HydrophobicContact CE1-CD2 3.75Å; Y730-L884 HydrophobicContact CE1-CG 4.36Å; Y730-L884 HydrophobicContact CE2-CD2 3.92Å; Y730-L887 HydrophobicContact CD2-CD2 3.89Å; Y730-L887 HydrophobicContact CE2-CD2 3.52Å
731	V	97.1	Very high	88.7	Confident	15 Å²	15	36.7 Å²	36.7	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	109.1	-176.9	177.3	0	0	0	0	109.8	F729 P857 L879 V880 E881 M892	F729-V731 HydrophobicContact CD1-CG2 4.21Å; F729-V731 HydrophobicContact CE1-CG2 4.48Å; V731-P857 HydrophobicContact CB-CG 4.33Å; V731-P857 HydrophobicContact CG1-CG 3.98Å; V731-P857 HydrophobicContact CG2-CG 3.79Å; V731-L879 HydrophobicContact CG2-CD1 3.59Å; V731-L879 HydrophobicContact CG2-CG 4.16Å; V731-V880 WeakPolarHBondContact CG2-O 3.41Å; V731-V880 PolarHBondContact N-O 2.98Å; V731-E881 HydrophobicContact CB-CB 4.14Å; V731-M892 HydrophobicContact CG1-SD 3.9Å
732	T	93.9	Very high	87.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.189	C	C	.	.			trans	-116.7	115.4	178.4	-62.3	0	0	0	0	109.7	Y730 T749 E750 N753 V854 G855 N856	Y730-T732 PolarHBondContact O-N 3.08Å; Y730-T732 VanDerWaalsContact O-N 3.09Å; Y730-T732 PolarHBondContact O-OG1 2.95Å; T732-T749 HydrophobicContact CG2-CG2 3.66Å; T732-E750 HydrophobicContact CG2-CG 3.83Å; T732-N753 PolarHBondContact OG1-ND2 2.85Å; T732-V854 WeakPolarHBondContact OG1-CG1 3.48Å; T732-G855 PolarHBondContact N-O 2.86Å; T732-G855 CarbonylContact O-C 3.6Å; T732-N856 WeakPolarHBondContact O-CA 3.49Å; T732-N856 WeakPolarHBondContact O-CB 3.46Å
733	Q	87.1	Confident	85.8	Confident	114 Å²	114	35.8 Å²	35.8	53%	0.533	20%	0.196	S	C	.	.			trans	-100.7	91.6	174	-61.5	-173.5	36.3	0	0	108.7
734	G	83.2	Confident	85	Confident	10 Å²	10	30.7 Å²	30.7	10%	0.103	16%	0.163	C	C	.	.			trans	-137.1	149.9	170.3	0	0	0	0	0	109.4	N747 T749 A825	G734-N747 PolarHBondContact O-ND2 3.13Å; G734-T749 WeakPolarHBondContact CA-OG1 3.49Å; G734-A825 WeakPolarHBondContact O-CB 3.29Å
735	Q	82.8	Confident	84.5	Confident	141 Å²	141	27.2 Å²	27.2	66%	0.659	14%	0.143	S	C	*	.			trans	-71.3	149.9	180	-71	171.4	-32.7	0	0	111.7	N747	Q735-N747 PolarHBondContact O-ND2 2.82Å
736	E	86.4	Confident	84.2	Confident	34 Å²	34	26.1 Å²	26.1	16%	0.159	14%	0.138	C	C	.	.			trans	-83	140.6	168.1	68.9	-172.8	-131.4	0	0	109.9	Y745 R824 A825 N826	E736-Y745 HydrophobicContact CG-CD1 4.41Å; E736-R824 IonicContact OE1-CZ 3.87Å; E736-R824 VanDerWaalsContact OE1-CZ 3.29Å; E736-R824 IonicContact OE1-NE 3.53Å; E736-R824 PolarHBondContact OE1-NE 3.17Å; E736-R824 IonicContact OE1-NH2 3.98Å; E736-R824 PolarHBondContact OE1-NH2 3.32Å; E736-R824 WeakPolarHBondContact OE2-CA 3.47Å; E736-R824 IonicContact OE2-CZ 2.78Å; E736-R824 IonicContact OE2-NE 3.47Å; E736-R824 PolarHBondContact OE2-NE 3.1Å; E736-R824 IonicContact OE2-NH2 3.76Å; E736-A825 PolarHBondContact OE2-N 3.17Å; E736-N826 PolarHBondContact OE1-ND2 2.96Å; E736-N826 PolarHBondContact OE2-ND2 2.79Å
737	E	83.4	Confident	83.9	Confident	25 Å²	25	25.5 Å²	25.5	12%	0.117	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.4	172.7	-41	160.4	-96	0	0	109.6	R191 Y745 L746 R748	R191-E737 IonicContact CZ-OE1 2.71Å; R191-E737 IonicContact CZ-OE2 2.7Å; R191-E737 IonicContact NH1-OE1 2.67Å; R191-E737 PolarHBondContact NH1-OE1 2.85Å; R191-E737 IonicContact NH1-OE2 2.69Å; R191-E737 PolarHBondContact NH1-OE2 3.15Å; R191-E737 IonicContact NH2-OE1 2.83Å; R191-E737 PolarHBondContact NH2-OE1 3.5Å; R191-E737 IonicContact NH2-OE2 3.29Å; E737-Y745 WeakPolarHBondContact O-CA 3.45Å; E737-L746 HydrophobicContact CB-CD1 3.66Å; E737-L746 HydrophobicContact CG-CD1 4.17Å; E737-L746 PolarHBondContact N-O 3.35Å; E737-L746 PolarHBondContact O-N 3.07Å; E737-L746 WeakPolarHBondContact OE1-CD1 3.35Å; E737-R748 WeakPolarHBondContact OE1-CG 3.18Å; E737-R748 IonicContact OE1-CZ 3.6Å; E737-R748 IonicContact OE1-NE 3.77Å; E737-R748 PolarHBondContact OE1-NE 2.78Å; E737-R748 IonicContact OE1-NH2 2.73Å; E737-R748 IonicContact OE2-CZ 3.18Å; E737-R748 IonicContact OE2-NE 2.68Å; E737-R748 PolarHBondContact OE2-NE 3.2Å; E737-R748 IonicContact OE2-NH2 2.77Å; E737-R748 PolarHBondContact OE2-NH2 3.03Å
738	I	79.8	Confident	83.6	Confident	22 Å²	22	28.7 Å²	28.7	11%	0.113	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.3	172.2	-53.6	177.9	0	0	0	108.5	V138 F173 I214 R217 G742	V138-I738 HydrophobicContact CG1-CD1 4.41Å; F173-I738 HydrophobicContact CD1-CB 4.29Å; F173-I738 HydrophobicContact CD1-CD1 4.48Å; F173-I738 HydrophobicContact CD1-CG2 3.7Å; F173-I738 HydrophobicContact CE1-CD1 4.4Å; F173-I738 HydrophobicContact CE1-CG2 4.13Å; F173-I738 HydrophobicContact CG-CG2 4.47Å; I214-I738 HydrophobicContact CG2-CD1 3.93Å; R217-I738 HydrophobicContact CG-CD1 4.3Å; I738-G742 WeakPolarHBondContact CG2-O 3.49Å
739	A	76.6	Confident	83.3	Confident	3 Å²	3	31.5 Å²	31.5	3%	0.025	16%	0.164	C	C	.	.			trans	-74.9	162.2	175.1	0	0	0	0	0	112	F173 S741 G742 S744	F173-A739 WeakPolarHBondContact CB-O 3.16Å; A739-S741 PolarHBondContact O-N 2.95Å; A739-G742 PolarHBondContact O-N 3.02Å; A739-S744 PolarHBondContact N-O 3.03Å
740	S	66.2	Low	83.1	Confident	30 Å²	30	31.5 Å²	31.5	21%	0.21	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-10.8	179.9	57.5	0	0	0	0	115.5	N171	N171-S740 PolarHBondContact ND2-O 2.93Å
741	S	61.4	Low	82.9	Confident	19 Å²	19	30.9 Å²	30.9	13%	0.133	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.1	-179.8	36	0	0	0	0	113.8	K330 D332 A739 T743	K330-S741 WeakPolarHBondContact O-CB 3.33Å; D332-S741 VanDerWaalsContact CG-OG 3.29Å; D332-S741 WeakPolarHBondContact OD2-CB 3.21Å; D332-S741 PolarHBondContact OD2-OG 3.23Å; A739-S741 PolarHBondContact O-N 2.95Å; S741-T743 PolarHBondContact O-N 3.38Å
742	G	62.1	Low	82.8	Confident	4 Å²	4	30.9 Å²	30.9	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	89.7	-34.7	171.1	0	0	0	0	0	116.5	V142 I738 A739	V142-G742 WeakPolarHBondContact CG2-O 3.47Å; I738-G742 WeakPolarHBondContact CG2-O 3.49Å; A739-G742 PolarHBondContact O-N 3.02Å
743	T	67.8	Low	82.9	Confident	59 Å²	59	31.7 Å²	31.7	36%	0.362	17%	0.167	S	C	.	.	S	Bend	trans	-101.2	-20.8	-174.2	63.7	0	0	0	0	114.4	V142 D332 S741 Y745	V142-T743 HydrophobicContact CG1-CG2 3.88Å; D332-T743 WeakPolarHBondContact CB-OG1 3.39Å; D332-T743 PolarHBondContact OD2-OG1 2.63Å; S741-T743 PolarHBondContact O-N 3.38Å; T743-Y745 WeakPolarHBondContact O-CE2 3.46Å
744	S	76.3	Confident	83.4	Confident	7 Å²	7	26.3 Å²	26.3	5%	0.049	14%	0.142	C	C	.	.			trans	-104.3	174.8	179.2	-163.3	0	0	0	0	113.5	D332 A739 Y777 E778 G779	D332-S744 WeakPolarHBondContact OD1-CB 3.49Å; D332-S744 WeakPolarHBondContact OD2-CB 3.42Å; D332-S744 PolarHBondContact OD2-N 3.32Å; A739-S744 PolarHBondContact N-O 3.03Å; S744-Y777 VanDerWaalsContact OG-CA 3.32Å; S744-Y777 WeakPolarHBondContact OG-CA 3.42Å; S744-Y777 WeakPolarHBondContact OG-CB 2.85Å; S744-E778 PolarHBondContact OG-N 3.43Å; S744-G779 PolarHBondContact OG-N 2.79Å
745	Y	84.5	Confident	84	Confident	26 Å²	26	26.1 Å²	26.1	10%	0.102	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.4	-167.5	-62	-99.6	0	0	0	111.4	R217 E736 E737 T743 Y777 Q780	R217-Y745 PolarHBondContact NH2-OH 2.93Å; E736-Y745 HydrophobicContact CG-CD1 4.41Å; E737-Y745 WeakPolarHBondContact O-CA 3.45Å; T743-Y745 WeakPolarHBondContact O-CE2 3.46Å; Y745-Y777 AromaticContact CD2-CD1 3.86Å; Y745-Y777 HydrophobicContact CD2-CD1 3.86Å; Y745-Y777 AromaticContact CD2-CE1 3.63Å; Y745-Y777 HydrophobicContact CD2-CE1 3.63Å; Y745-Y777 HydrophobicContact CD2-CG 4.46Å; Y745-Y777 HydrophobicContact CE2-CE1 4.32Å; Y745-Y777 WeakPolarHBondContact O-CB 3.09Å; Y745-Q780 PolarHBondContact O-N 3.03Å; Y745-Q780 VanDerWaalsContact O-N 3.1Å
746	L	89.1	Confident	84.6	Confident	8 Å²	8	24.2 Å²	24.2	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	170	170.9	49.2	60.6	0	0	0	110.9	E737 Q780 Y783	E737-L746 HydrophobicContact CB-CD1 3.66Å; E737-L746 HydrophobicContact CG-CD1 4.17Å; E737-L746 PolarHBondContact N-O 3.35Å; E737-L746 PolarHBondContact O-N 3.07Å; E737-L746 WeakPolarHBondContact OE1-CD1 3.35Å; L746-Q780 HydrophobicContact CB-CB 4.24Å; L746-Q780 VanDerWaalsContact CB-OE1 3.3Å; L746-Y783 HydrophobicContact CD2-CD2 4.28Å; L746-Y783 HydrophobicContact CD2-CG 3.96Å
747	N	91.9	Very high	85.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.			trans	-148.7	112.8	179.1	-171.7	-44.7	0	0	0	109.6	G734 Q735 T749 E750 A751 Q780 V823	G734-N747 PolarHBondContact O-ND2 3.13Å; Q735-N747 PolarHBondContact O-ND2 2.82Å; N747-T749 PolarHBondContact OD1-N 3.35Å; N747-E750 HydrophobicContact CB-CB 4.1Å; N747-E750 HydrophobicContact CB-CG 4.12Å; N747-E750 PolarHBondContact O-N 2.98Å; N747-E750 PolarHBondContact OD1-N 3.08Å; N747-E750 VanDerWaalsContact OD1-N 3.15Å; N747-A751 WeakPolarHBondContact O-CB 3.47Å; N747-A751 PolarHBondContact O-N 3.43Å; N747-Q780 PolarHBondContact O-NE2 3.22Å; N747-Q780 PolarHBondContact O-OE1 3.2Å; N747-V823 HydrophobicContact CB-CG1 4.14Å; N747-V823 PolarHBondContact ND2-O 2.99Å
748	R	90.4	Very high	85.7	Confident	68 Å²	68	21.4 Å²	21.4	26%	0.257	12%	0.115	S	C	.	.	H	α-helix	trans	-63.5	-42.9	-176.1	-62.1	-180	-158.6	-149	-1.4	112.4	R191 E737 E750 A751 A752 Y783	R191-R748 VanDerWaalsContact NH1-NH2 3.17Å; R191-R748 VanDerWaalsContact NH2-CG 3.29Å; E737-R748 WeakPolarHBondContact OE1-CG 3.18Å; E737-R748 IonicContact OE1-CZ 3.6Å; E737-R748 IonicContact OE1-NE 3.77Å; E737-R748 PolarHBondContact OE1-NE 2.78Å; E737-R748 IonicContact OE1-NH2 2.73Å; E737-R748 IonicContact OE2-CZ 3.18Å; E737-R748 IonicContact OE2-NE 2.68Å; E737-R748 PolarHBondContact OE2-NE 3.2Å; E737-R748 IonicContact OE2-NH2 2.77Å; E737-R748 PolarHBondContact OE2-NH2 3.03Å; R748-E750 VanDerWaalsContact C-N 3.34Å; R748-A751 PolarHBondContact O-N 2.84Å; R748-A752 WeakPolarHBondContact O-CB 3.32Å; R748-A752 PolarHBondContact O-N 3.42Å; R748-Y783 HydrophobicContact CG-CE1 4.16Å
749	T	92.1	Very high	86.5	Confident	61 Å²	61	20.8 Å²	20.8	37%	0.374	11%	0.112	S	C	.	.	H	α-helix	trans	-67.2	-39.2	-176.2	-42.2	0	0	0	0	110.4	T732 G734 N747 N753	T732-T749 HydrophobicContact CG2-CG2 3.66Å; G734-T749 WeakPolarHBondContact CA-OG1 3.49Å; N747-T749 PolarHBondContact OD1-N 3.35Å; T749-N753 WeakPolarHBondContact O-CB 3.49Å; T749-N753 VanDerWaalsContact O-CG 3.25Å; T749-N753 PolarHBondContact O-N 3.41Å; T749-N753 VanDerWaalsContact O-N 3.16Å; T749-N753 PolarHBondContact O-ND2 2.96Å
750	E	95.3	Very high	87.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-47.2	169.6	-68.8	-167.3	-154.8	0	0	111.8	T732 N747 R748 A752 N753 V754 S821 C822 V823 V854 G855	T732-E750 HydrophobicContact CG2-CG 3.83Å; N747-E750 HydrophobicContact CB-CB 4.1Å; N747-E750 HydrophobicContact CB-CG 4.12Å; N747-E750 PolarHBondContact O-N 2.98Å; N747-E750 PolarHBondContact OD1-N 3.08Å; N747-E750 VanDerWaalsContact OD1-N 3.15Å; R748-E750 VanDerWaalsContact C-N 3.34Å; E750-A752 PolarHBondContact O-N 3.14Å; E750-N753 CarbonylContact O-C 3.59Å; E750-N753 WeakPolarHBondContact O-CA 3.13Å; E750-N753 WeakPolarHBondContact O-CB 3.3Å; E750-N753 PolarHBondContact O-N 3.38Å; E750-V754 VanDerWaalsContact O-CG2 3.29Å; E750-V754 WeakPolarHBondContact O-CG2 3.36Å; E750-V754 PolarHBondContact O-N 3.14Å; E750-S821 PolarHBondContact OE2-OG 3.15Å; E750-C822 PolarHBondContact OE2-N 3.43Å; E750-V823 VanDerWaalsContact OE1-CA 3.28Å; E750-V823 WeakPolarHBondContact OE1-CA 2.9Å; E750-V823 PolarHBondContact OE1-N 3.11Å; E750-V823 PolarHBondContact OE2-N 3.32Å; E750-V854 HydrophobicContact CB-CG1 4.1Å; E750-V854 HydrophobicContact CG-CG1 4.02Å; E750-G855 WeakPolarHBondContact OE1-CA 3.46Å
751	A	94.3	Very high	88.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-43.3	-177.5	0	0	0	0	0	112.8	N747 R748 N753 V754 E755 Y783 L784	N747-A751 WeakPolarHBondContact O-CB 3.47Å; N747-A751 PolarHBondContact O-N 3.43Å; R748-A751 PolarHBondContact O-N 2.84Å; A751-N753 VanDerWaalsContact C-N 3.27Å; A751-N753 PolarHBondContact O-N 3.06Å; A751-V754 PolarHBondContact O-N 3.44Å; A751-E755 PolarHBondContact O-N 2.89Å; A751-Y783 HydrophobicContact CB-CD1 3.78Å; A751-Y783 HydrophobicContact CB-CE1 3.72Å; A751-L784 HydrophobicContact CB-CD2 3.81Å; A751-L784 HydrophobicContact CB-CG 4.38Å
752	A	93.4	Very high	90.4	Very high	16 Å²	16	23 Å²	23	13%	0.132	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-27.3	174.2	0	0	0	0	0	113	R748 E750 K756 Y787	R748-A752 WeakPolarHBondContact O-CB 3.32Å; R748-A752 PolarHBondContact O-N 3.42Å; E750-A752 PolarHBondContact O-N 3.14Å; A752-K756 VanDerWaalsContact O-CD 3.24Å; A752-K756 WeakPolarHBondContact O-CD 3.46Å; A752-K756 WeakPolarHBondContact O-CE 3.49Å; A752-K756 VanDerWaalsContact O-CG 3.22Å; A752-K756 WeakPolarHBondContact O-CG 3.05Å; A752-Y787 HydrophobicContact CB-CE1 4.15Å
753	N	96.3	Very high	92	Very high	19 Å²	19	29.8 Å²	29.8	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-77.6	-38.3	173	-80.3	-14.3	0	0	0	111.9	Y730 T732 T749 E750 A751 K756 I757 V854	Y730-N753 HydrophobicContact CD1-CB 4.16Å; Y730-N753 HydrophobicContact CE1-CB 3.71Å; Y730-N753 VanDerWaalsContact CE1-CG 3.46Å; Y730-N753 WeakPolarHBondContact CE1-ND2 3.46Å; T732-N753 PolarHBondContact OG1-ND2 2.85Å; T749-N753 WeakPolarHBondContact O-CB 3.49Å; T749-N753 VanDerWaalsContact O-CG 3.25Å; T749-N753 PolarHBondContact O-N 3.41Å; T749-N753 VanDerWaalsContact O-N 3.16Å; T749-N753 PolarHBondContact O-ND2 2.96Å; E750-N753 CarbonylContact O-C 3.59Å; E750-N753 WeakPolarHBondContact O-CA 3.13Å; E750-N753 WeakPolarHBondContact O-CB 3.3Å; E750-N753 PolarHBondContact O-N 3.38Å; A751-N753 VanDerWaalsContact C-N 3.27Å; A751-N753 PolarHBondContact O-N 3.06Å; N753-K756 PolarHBondContact O-N 3.12Å; N753-I757 WeakPolarHBondContact O-CD1 3.25Å; N753-I757 VanDerWaalsContact O-CG1 3.24Å; N753-I757 WeakPolarHBondContact O-CG1 3.4Å; N753-I757 PolarHBondContact O-N 3.49Å; N753-V854 HydrophobicContact CB-CG1 4.11Å
754	V	97.3	Very high	93.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-37.7	176.9	171	0	0	0	0	111.8	E750 A751 T758 I773 L784 M788 I819 V854	E750-V754 VanDerWaalsContact O-CG2 3.29Å; E750-V754 WeakPolarHBondContact O-CG2 3.36Å; E750-V754 PolarHBondContact O-N 3.14Å; A751-V754 PolarHBondContact O-N 3.44Å; V754-T758 WeakPolarHBondContact O-CB 3.41Å; V754-T758 PolarHBondContact O-N 2.59Å; V754-T758 PolarHBondContact O-OG1 2.83Å; V754-I773 HydrophobicContact CG1-CD1 3.88Å; V754-I773 HydrophobicContact CG1-CG1 4.45Å; V754-I773 HydrophobicContact CG1-CG2 3.85Å; V754-L784 HydrophobicContact CB-CD2 3.91Å; V754-L784 HydrophobicContact CG1-CD2 3.72Å; V754-M788 HydrophobicContact CG1-CE 3.76Å; V754-I819 HydrophobicContact CG1-CD1 4.49Å; V754-I819 HydrophobicContact CG1-CG2 4.1Å; V754-I819 HydrophobicContact CG2-CG2 3.96Å; V754-V854 HydrophobicContact CG2-CB 4.16Å; V754-V854 HydrophobicContact CG2-CG1 4.37Å; V754-V854 HydrophobicContact CG2-CG2 3.9Å
755	E	95.8	Very high	94.1	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.028	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-52.6	169	-176.7	-77.4	150.4	0	0	110.8	A751 I757 T758 T759 Y787 M788 S793 Y799	A751-E755 PolarHBondContact O-N 2.89Å; E755-I757 VanDerWaalsContact C-N 3.29Å; E755-I757 PolarHBondContact O-N 3.04Å; E755-T758 WeakPolarHBondContact O-CB 3.38Å; E755-T758 PolarHBondContact O-N 3.33Å; E755-T759 WeakPolarHBondContact O-CB 3.41Å; E755-T759 PolarHBondContact O-N 2.74Å; E755-T759 PolarHBondContact O-OG1 2.73Å; E755-T759 PolarHBondContact OE1-OG1 3.02Å; E755-Y787 HydrophobicContact CB-CD1 4.12Å; E755-Y787 HydrophobicContact CB-CE1 3.9Å; E755-Y787 HydrophobicContact CG-CE1 4.28Å; E755-M788 HydrophobicContact CB-CE 4.36Å; E755-M788 HydrophobicContact CB-CG 4.27Å; E755-M788 HydrophobicContact CG-CG 4.26Å; E755-S793 PolarHBondContact OE1-N 3.06Å; E755-S793 VanDerWaalsContact OE1-N 3.12Å; E755-S793 PolarHBondContact OE1-OG 3.15Å; E755-Y799 PolarHBondContact OE1-OH 3.03Å
756	K	95.5	Very high	94.6	Very high	101 Å²	101	28.4 Å²	28.4	44%	0.439	15%	0.147	S	C	.	.	H	α-helix	trans	-61.7	-37.4	-176.5	-66.6	165.4	-167.6	167.4	0	112.3	A752 N753 R760 L884	A752-K756 VanDerWaalsContact O-CD 3.24Å; A752-K756 WeakPolarHBondContact O-CD 3.46Å; A752-K756 WeakPolarHBondContact O-CE 3.49Å; A752-K756 VanDerWaalsContact O-CG 3.22Å; A752-K756 WeakPolarHBondContact O-CG 3.05Å; N753-K756 PolarHBondContact O-N 3.12Å; K756-R760 WeakPolarHBondContact O-CB 3.45Å; K756-R760 PolarHBondContact O-N 3.02Å; K756-L884 HydrophobicContact CB-CD1 3.6Å
757	I	97.1	Very high	94.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-49.5	173.4	-67.1	160.2	0	0	0	110.2	Y730 N753 E755 T759 R760 L761 I819 I852 V854 L884	Y730-I757 HydrophobicContact CD1-CD1 4Å; N753-I757 WeakPolarHBondContact O-CD1 3.25Å; N753-I757 VanDerWaalsContact O-CG1 3.24Å; N753-I757 WeakPolarHBondContact O-CG1 3.4Å; N753-I757 PolarHBondContact O-N 3.49Å; E755-I757 VanDerWaalsContact C-N 3.29Å; E755-I757 PolarHBondContact O-N 3.04Å; I757-T759 PolarHBondContact O-N 3.19Å; I757-R760 PolarHBondContact O-N 2.9Å; I757-R760 VanDerWaalsContact O-N 3.14Å; I757-L761 HydrophobicContact CG2-CD1 4.15Å; I757-L761 HydrophobicContact CG2-CG 4.46Å; I757-L761 WeakPolarHBondContact O-CG 3.49Å; I757-L761 PolarHBondContact O-N 2.98Å; I757-I819 HydrophobicContact CB-CD1 4.09Å; I757-I819 HydrophobicContact CG2-CD1 3.52Å; I757-I819 HydrophobicContact CG2-CG1 3.94Å; I757-I852 HydrophobicContact CD1-CG2 3.83Å; I757-I852 HydrophobicContact CG2-CB 4.47Å; I757-I852 HydrophobicContact CG2-CD1 3.49Å; I757-I852 VanDerWaalsContact CG2-CD1 3.49Å; I757-I852 HydrophobicContact CG2-CG2 4.27Å; I757-V854 HydrophobicContact CD1-CG2 3.45Å; I757-V854 VanDerWaalsContact CD1-CG2 3.45Å; I757-L884 HydrophobicContact CG1-CD1 3.78Å; I757-L884 HydrophobicContact CG1-CD2 3.95Å
758	T	97.1	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-48.1	178.5	-55.2	0	0	0	0	111.2	V754 E755 R760 L761 L762 I771 M788 Y799 V802 I819	V754-T758 WeakPolarHBondContact O-CB 3.41Å; V754-T758 PolarHBondContact O-N 2.59Å; V754-T758 PolarHBondContact O-OG1 2.83Å; E755-T758 WeakPolarHBondContact O-CB 3.38Å; E755-T758 PolarHBondContact O-N 3.33Å; T758-R760 VanDerWaalsContact C-N 3.31Å; T758-R760 PolarHBondContact O-N 3Å; T758-L761 PolarHBondContact O-N 3.09Å; T758-L762 HydrophobicContact CG2-CD1 4.19Å; T758-L762 WeakPolarHBondContact O-CG 3.12Å; T758-L762 PolarHBondContact O-N 3.03Å; T758-I771 HydrophobicContact CG2-CD1 4.4Å; T758-M788 HydrophobicContact CG2-SD 4.48Å; T758-Y799 HydrophobicContact CG2-CD1 4.23Å; T758-Y799 HydrophobicContact CG2-CE1 4.36Å; T758-V802 HydrophobicContact CG2-CG1 4.26Å; T758-V802 HydrophobicContact CG2-CG2 4.02Å; T758-I819 VanDerWaalsContact OG1-CD1 3.24Å; T758-I819 WeakPolarHBondContact OG1-CD1 3.16Å
759	T	95.9	Very high	95.1	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-38.7	174.7	-70.8	0	0	0	0	112.5	E755 I757 K763 L794 Y799	E755-T759 WeakPolarHBondContact O-CB 3.41Å; E755-T759 PolarHBondContact O-N 2.74Å; E755-T759 PolarHBondContact O-OG1 2.73Å; E755-T759 PolarHBondContact OE1-OG1 3.02Å; I757-T759 PolarHBondContact O-N 3.19Å; T759-K763 HydrophobicContact CG2-CD 4.26Å; T759-K763 WeakPolarHBondContact O-CB 3.28Å; T759-K763 VanDerWaalsContact O-CG 3.3Å; T759-K763 WeakPolarHBondContact O-CG 3.44Å; T759-K763 PolarHBondContact O-N 3.38Å; T759-L794 HydrophobicContact CG2-CD1 4.29Å; T759-L794 HydrophobicContact CG2-CG 4.32Å; T759-Y799 PolarHBondContact OG1-OH 3.03Å
760	R	95.4	Very high	95.2	Very high	75 Å²	75	34.5 Å²	34.5	28%	0.283	18%	0.176	S	C	.	.	H	α-helix	trans	-72.2	-38.5	176.3	-166.9	176.5	-179.7	112.6	-5.1	112.3	F718 K756 I757 T758 K763 A764 L884	F718-R760 HydrophobicContact CD2-CG 4.11Å; F718-R760 HydrophobicContact CE2-CB 4.17Å; F718-R760 HydrophobicContact CE2-CG 3.81Å; K756-R760 WeakPolarHBondContact O-CB 3.45Å; K756-R760 PolarHBondContact O-N 3.02Å; I757-R760 PolarHBondContact O-N 2.9Å; I757-R760 VanDerWaalsContact O-N 3.14Å; T758-R760 VanDerWaalsContact C-N 3.31Å; T758-R760 PolarHBondContact O-N 3Å; R760-K763 PolarHBondContact O-N 3.12Å; R760-A764 VanDerWaalsContact O-CB 3.24Å; R760-A764 WeakPolarHBondContact O-CB 3.49Å; R760-A764 PolarHBondContact O-N 2.99Å; R760-L884 PolarHBondContact NH1-O 2.85Å; R760-L884 VanDerWaalsContact NH1-O 3.14Å; R760-L884 PolarHBondContact NH2-O 2.83Å
761	L	96.3	Very high	95.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-44.1	173.4	-69.5	171.7	0	0	0	111.7	F716 F718 I757 T758 A764 G765 A766 I771 F817 I819	F716-L761 HydrophobicContact CE2-CD2 4.23Å; F716-L761 HydrophobicContact CZ-CD2 3.75Å; F718-L761 HydrophobicContact CD2-CD2 3.77Å; F718-L761 HydrophobicContact CD2-CG 4.49Å; F718-L761 HydrophobicContact CE2-CD2 3.76Å; F718-L761 HydrophobicContact CE2-CG 4.19Å; F718-L761 HydrophobicContact CG-CD2 4.35Å; F718-L761 HydrophobicContact CZ-CD2 4.35Å; I757-L761 HydrophobicContact CG2-CD1 4.15Å; I757-L761 HydrophobicContact CG2-CG 4.46Å; I757-L761 WeakPolarHBondContact O-CG 3.49Å; I757-L761 PolarHBondContact O-N 2.98Å; T758-L761 PolarHBondContact O-N 3.09Å; L761-A764 WeakPolarHBondContact O-CB 3.41Å; L761-A764 PolarHBondContact O-N 3.48Å; L761-G765 PolarHBondContact O-N 2.85Å; L761-A766 HydrophobicContact CB-CB 4.3Å; L761-A766 VanDerWaalsContact O-CB 3.25Å; L761-A766 WeakPolarHBondContact O-CB 3.47Å; L761-A766 PolarHBondContact O-N 3.45Å; L761-I771 HydrophobicContact CB-CD1 3.86Å; L761-I771 HydrophobicContact CD1-CD1 4.32Å; L761-I771 HydrophobicContact CD1-CG2 4.48Å; L761-F817 HydrophobicContact CD1-CB 4.2Å; L761-F817 HydrophobicContact CD2-CD1 4.34Å; L761-F817 HydrophobicContact CD2-CG 4.33Å; L761-I819 HydrophobicContact CD1-CD1 4.1Å; L761-I819 HydrophobicContact CD1-CG1 4.31Å
762	L	95.5	Very high	95.3	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.115	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-46	176	-68.9	172.1	0	0	0	111.4	T758 A764 G765 A766 P768 I771 L794 L798 Y799	T758-L762 HydrophobicContact CG2-CD1 4.19Å; T758-L762 WeakPolarHBondContact O-CG 3.12Å; T758-L762 PolarHBondContact O-N 3.03Å; L762-A764 VanDerWaalsContact C-N 3.27Å; L762-A764 PolarHBondContact O-N 2.91Å; L762-G765 PolarHBondContact O-N 3.38Å; L762-G765 VanDerWaalsContact O-N 3.07Å; L762-A766 WeakPolarHBondContact CD2-O 2.96Å; L762-P768 HydrophobicContact CD2-CG 3.87Å; L762-I771 HydrophobicContact CD2-CD1 3.84Å; L762-I771 HydrophobicContact CG-CD1 4.02Å; L762-L794 HydrophobicContact CB-CD1 3.81Å; L762-L794 HydrophobicContact CD1-CD1 3.85Å; L762-L798 HydrophobicContact CD1-CB 4.4Å; L762-Y799 HydrophobicContact CD1-CE1 4.27Å
763	K	94.9	Very high	95.5	Very high	147 Å²	147	33.7 Å²	33.7	64%	0.639	17%	0.169	S	C	*	.	H	α-helix	trans	-64	-29.4	175	-74.7	178.8	179.4	-176.3	0	113.3	T759 R760 G765	T759-K763 HydrophobicContact CG2-CD 4.26Å; T759-K763 WeakPolarHBondContact O-CB 3.28Å; T759-K763 VanDerWaalsContact O-CG 3.3Å; T759-K763 WeakPolarHBondContact O-CG 3.44Å; T759-K763 PolarHBondContact O-N 3.38Å; R760-K763 PolarHBondContact O-N 3.12Å; K763-G765 PolarHBondContact O-N 2.51Å
764	A	94.6	Very high	95.4	Very high	11 Å²	11	32.8 Å²	32.8	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.4	173.7	0	0	0	0	0	114.1	F716 D717 F718 R760 L761 L762	F716-A764 VanDerWaalsContact CA-O 3.29Å; F716-A764 WeakPolarHBondContact CA-O 3.45Å; F716-A764 HydrophobicContact CD2-CB 3.91Å; F716-A764 WeakPolarHBondContact CD2-O 3.08Å; F716-A764 HydrophobicContact CE2-CB 3.66Å; F716-A764 HydrophobicContact CZ-CB 4.39Å; D717-A764 PolarHBondContact N-O 2.76Å; D717-A764 VanDerWaalsContact N-O 3.15Å; D717-A764 WeakPolarHBondContact O-CB 3.48Å; F718-A764 HydrophobicContact CB-CB 3.93Å; F718-A764 HydrophobicContact CD2-CB 4.23Å; R760-A764 VanDerWaalsContact O-CB 3.24Å; R760-A764 WeakPolarHBondContact O-CB 3.49Å; R760-A764 PolarHBondContact O-N 2.99Å; L761-A764 WeakPolarHBondContact O-CB 3.41Å; L761-A764 PolarHBondContact O-N 3.48Å; L762-A764 VanDerWaalsContact C-N 3.27Å; L762-A764 PolarHBondContact O-N 2.91Å
765	G	93.3	Very high	95.1	Very high	45 Å²	45	32.9 Å²	32.9	46%	0.464	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	6.7	177.9	0	0	0	0	0	115.7	L761 L762 K763	L761-G765 PolarHBondContact O-N 2.85Å; L762-G765 PolarHBondContact O-N 3.38Å; L762-G765 VanDerWaalsContact O-N 3.07Å; K763-G765 PolarHBondContact O-N 2.51Å
766	A	95.3	Very high	94.6	Very high	6 Å²	6	32.8 Å²	32.8	5%	0.05	17%	0.165	C	C	.	.			trans	-69.8	144.5	167.1	0	0	0	0	0	110.6	F716 L761 L762 I771 F817	F716-A766 HydrophobicContact CD2-CB 4.43Å; F716-A766 HydrophobicContact CE2-CB 4Å; L761-A766 HydrophobicContact CB-CB 4.3Å; L761-A766 VanDerWaalsContact O-CB 3.25Å; L761-A766 WeakPolarHBondContact O-CB 3.47Å; L761-A766 PolarHBondContact O-N 3.45Å; L762-A766 WeakPolarHBondContact CD2-O 2.96Å; A766-I771 HydrophobicContact CB-CD1 4.21Å; A766-I771 HydrophobicContact CB-CG1 4.33Å; A766-F817 HydrophobicContact CB-CD2 3.9Å; A766-F817 HydrophobicContact CB-CE2 3.72Å
767	K	95	Very high	94	Very high	127 Å²	127	29.5 Å²	29.5	55%	0.552	15%	0.15	S	C	*	.			trans	-89.4	153.8	172.9	-59.8	-170.8	177.9	-172.7	0	111.5	D769 Q770	K767-D769 VanDerWaalsContact C-N 3.35Å; K767-D769 WeakPolarHBondContact CB-OD1 3.21Å; K767-D769 PolarHBondContact O-N 3.37Å; K767-Q770 HydrophobicContact CB-CG 4.15Å; K767-Q770 WeakPolarHBondContact O-CB 3.06Å; K767-Q770 PolarHBondContact O-N 3.48Å; K767-Q770 VanDerWaalsContact O-N 3.08Å
768	P	93.6	Very high	93.2	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.084	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-55	-42.8	178.4	-29.8	37	0	0	0	115.1	L762 Q770 I771 L798 Q801 V802	L762-P768 HydrophobicContact CD2-CG 3.87Å; P768-Q770 PolarHBondContact O-N 3.33Å; P768-Q770 VanDerWaalsContact O-N 3.17Å; P768-I771 PolarHBondContact O-N 2.82Å; P768-I771 VanDerWaalsContact O-N 3.12Å; P768-L798 WeakPolarHBondContact CB-O 3.44Å; P768-L798 HydrophobicContact CG-CB 4.27Å; P768-L798 HydrophobicContact CG-CD2 3.85Å; P768-Q801 HydrophobicContact CB-CB 3.4Å; P768-Q801 HydrophobicContact CG-CB 4.22Å; P768-V802 HydrophobicContact CB-CG2 3.95Å
769	D	92.4	Very high	92.4	Very high	91 Å²	91	33.6 Å²	33.6	49%	0.487	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-61.5	-24.5	179	63.9	-62.3	0	0	0	113.2	K767 K815	K767-D769 VanDerWaalsContact C-N 3.35Å; K767-D769 WeakPolarHBondContact CB-OD1 3.21Å; K767-D769 PolarHBondContact O-N 3.37Å; D769-K815 VanDerWaalsContact O-CD 3.3Å; D769-K815 WeakPolarHBondContact O-CD 3.38Å; D769-K815 PolarHBondContact O-NZ 2.86Å
770	Q	94.9	Very high	92.1	Very high	34 Å²	34	33.2 Å²	33.2	16%	0.159	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-86.5	-9.7	-177.8	-65.3	172.1	6.7	0	0	113	K713 K767 P768 D816 F817	K713-Q770 VanDerWaalsContact NZ-CD 3.34Å; K767-Q770 HydrophobicContact CB-CG 4.15Å; K767-Q770 WeakPolarHBondContact O-CB 3.06Å; K767-Q770 PolarHBondContact O-N 3.48Å; K767-Q770 VanDerWaalsContact O-N 3.08Å; P768-Q770 PolarHBondContact O-N 3.33Å; P768-Q770 VanDerWaalsContact O-N 3.17Å; Q770-D816 HydrophobicContact CB-CB 4.09Å; Q770-D816 PolarHBondContact O-N 3.48Å; Q770-F817 PolarHBondContact O-N 2.99Å
771	I	96.9	Very high	91.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.7	177.7	-55	171.9	0	0	0	109.2	T758 L761 L762 A766 P768 V802	T758-I771 HydrophobicContact CG2-CD1 4.4Å; L761-I771 HydrophobicContact CB-CD1 3.86Å; L761-I771 HydrophobicContact CD1-CD1 4.32Å; L761-I771 HydrophobicContact CD1-CG2 4.48Å; L762-I771 HydrophobicContact CD2-CD1 3.84Å; L762-I771 HydrophobicContact CG-CD1 4.02Å; A766-I771 HydrophobicContact CB-CD1 4.21Å; A766-I771 HydrophobicContact CB-CG1 4.33Å; P768-I771 PolarHBondContact O-N 2.82Å; P768-I771 VanDerWaalsContact O-N 3.12Å; I771-V802 HydrophobicContact CB-CG1 3.99Å; I771-V802 HydrophobicContact CB-CG2 4.4Å; I771-V802 HydrophobicContact CG2-CG1 3.7Å
772	G	95.8	Very high	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.7	165.6	0	0	0	0	0	111.4	E803 F817 I818 I819	G772-E803 CarbonylContact C-O 3.58Å; G772-E803 WeakPolarHBondContact CA-O 3.42Å; G772-F817 PolarHBondContact N-O 3.42Å; G772-I818 WeakPolarHBondContact O-CA 3.4Å; G772-I819 PolarHBondContact O-N 2.91Å
773	I	96.5	Very high	90.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.8	176.8	-55.9	177.7	0	0	0	107.6	V754 L784 M788 V802 E803 I804 A805 I819	V754-I773 HydrophobicContact CG1-CD1 3.88Å; V754-I773 HydrophobicContact CG1-CG1 4.45Å; V754-I773 HydrophobicContact CG1-CG2 3.85Å; I773-L784 HydrophobicContact CG2-CD1 3.98Å; I773-M788 HydrophobicContact CD1-CE 3.39Å; I773-M788 HydrophobicContact CD1-SD 4.17Å; I773-V802 HydrophobicContact CD1-CG1 3.74Å; I773-V802 HydrophobicContact CG1-CG1 3.85Å; I773-E803 PolarHBondContact N-O 2.98Å; I773-I804 HydrophobicContact CB-CB 4.4Å; I773-I804 HydrophobicContact CB-CG1 4.2Å; I773-I804 HydrophobicContact CB-CG2 4.08Å; I773-I804 HydrophobicContact CD1-CD1 4Å; I773-I804 HydrophobicContact CD1-CG1 4.13Å; I773-I804 HydrophobicContact CG2-CG2 4.09Å; I773-I804 WeakPolarHBondContact O-CA 3.25Å; I773-A805 PolarHBondContact O-N 2.95Å; I773-I819 CarbonylContact C-O 3.53Å; I773-I819 WeakPolarHBondContact CA-O 3.37Å; I773-I819 HydrophobicContact CG1-CB 4.4Å; I773-I819 HydrophobicContact CG1-CD1 4.3Å
774	I	94.2	Very high	90.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124	177.7	-55.8	-175.6	0	0	0	107.9	A805 V807 F810 I818 I819 L820 S821 A843 R846	I774-A805 WeakPolarHBondContact CA-O 3.45Å; I774-V807 HydrophobicContact CG2-CB 4.32Å; I774-V807 HydrophobicContact CG2-CG2 3.64Å; I774-F810 HydrophobicContact CD1-CB 4.35Å; I774-F810 HydrophobicContact CD1-CD2 4.33Å; I774-F810 HydrophobicContact CD1-CG 4.24Å; I774-F810 HydrophobicContact CG1-CD2 3.7Å; I774-F810 HydrophobicContact CG1-CE2 3.88Å; I774-F810 HydrophobicContact CG1-CG 4.08Å; I774-F810 HydrophobicContact CG1-CZ 4.43Å; I774-I818 HydrophobicContact CD1-CD1 4.16Å; I774-I818 HydrophobicContact CD1-CG2 3.71Å; I774-I818 HydrophobicContact CG1-CD1 4.34Å; I774-I818 HydrophobicContact CG1-CG2 3.96Å; I774-I819 PolarHBondContact N-O 2.91Å; I774-L820 HydrophobicContact CB-CD1 4.06Å; I774-L820 HydrophobicContact CG2-CD1 3.89Å; I774-L820 WeakPolarHBondContact O-CA 3.46Å; I774-S821 PolarHBondContact O-N 3.31Å; I774-A843 HydrophobicContact CD1-CB 4.47Å; I774-R846 HydrophobicContact CD1-CB 4.15Å; I774-R846 HydrophobicContact CD1-CG 3.75Å
775	T	91.8	Very high	89.8	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.13	C	C	.	.			trans	-140.5	129.5	170.8	180	0	0	0	0	111.6	Q780 R781 L784 I804 A805 S806	T775-Q780 HydrophobicContact CG2-CG 4.46Å; T775-Q780 WeakPolarHBondContact OG1-CB 3.41Å; T775-Q780 VanDerWaalsContact OG1-CG 3.29Å; T775-Q780 WeakPolarHBondContact OG1-CG 3.38Å; T775-R781 HydrophobicContact CG2-CB 3.72Å; T775-R781 HydrophobicContact CG2-CG 4.22Å; T775-L784 HydrophobicContact CG2-CD1 4.03Å; T775-I804 HydrophobicContact CG2-CG2 4.34Å; T775-A805 PolarHBondContact N-O 3.15Å; T775-S806 VanDerWaalsContact O-CA 3.3Å; T775-S806 WeakPolarHBondContact O-CA 3.36Å
776	P	84.8	Confident	89.2	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.032	12%	0.118	C	C	.	.	S	Bend		99.5	-162.1	113.5	9.5	-27.3	0	0	0	114.5	S821 V823 F833	P776-S821 WeakPolarHBondContact CG-O 3.39Å; P776-V823 HydrophobicContact CB-CG2 4.02Å; P776-V823 HydrophobicContact CG-CG2 4.13Å; P776-F833 HydrophobicContact CB-CD1 4.32Å; P776-F833 HydrophobicContact CB-CE1 3.64Å; P776-F833 HydrophobicContact CB-CZ 4.34Å; P776-F833 HydrophobicContact CG-CE1 3.8Å; P776-F833 HydrophobicContact CG-CZ 4.27Å; P776-F833 WeakPolarHBondContact O-CE1 3.24Å; P776-F833 WeakPolarHBondContact O-CZ 3.35Å
777	Y	83.8	Confident	88.8	Confident	32 Å²	32	26.4 Å²	26.4	13%	0.125	13%	0.126	C	C	.	.	S	Bend	cis	62.4	92.5	18.9	-44.8	-50.9	0	0	0	116.3	S744 Y745 G779 Q780 R781 V823 R824 I831 F833	S744-Y777 VanDerWaalsContact OG-CA 3.32Å; S744-Y777 WeakPolarHBondContact OG-CA 3.42Å; S744-Y777 WeakPolarHBondContact OG-CB 2.85Å; Y745-Y777 AromaticContact CD2-CD1 3.86Å; Y745-Y777 HydrophobicContact CD2-CD1 3.86Å; Y745-Y777 AromaticContact CD2-CE1 3.63Å; Y745-Y777 HydrophobicContact CD2-CE1 3.63Å; Y745-Y777 HydrophobicContact CD2-CG 4.46Å; Y745-Y777 HydrophobicContact CE2-CE1 4.32Å; Y745-Y777 WeakPolarHBondContact O-CB 3.09Å; Y777-G779 VanDerWaalsContact C-N 3.3Å; Y777-G779 PolarHBondContact O-N 2.67Å; Y777-Q780 PolarHBondContact O-N 3.3Å; Y777-R781 PolarHBondContact O-N 3.1Å; Y777-V823 HydrophobicContact CD2-CB 3.93Å; Y777-V823 HydrophobicContact CD2-CG1 4.11Å; Y777-V823 HydrophobicContact CD2-CG2 4.22Å; Y777-R824 HydrophobicContact CE2-CG 3.65Å; Y777-R824 PolarHBondContact OH-NH1 3.37Å; Y777-R824 VanDerWaalsContact OH-NH1 3.12Å; Y777-I831 PolarHBondContact OH-O 3.34Å; Y777-F833 HydrophobicContact CE2-CD1 4.12Å
778	E	78.8	Confident	88.5	Confident	79 Å²	79	20.5 Å²	20.5	37%	0.369	10%	0.1	S	C	.	.	H	α-helix	trans	-60.5	-32.4	170.9	179.3	56.2	-155.2	0	0	113.4	S744 Q780 R781 S782	S744-E778 PolarHBondContact OG-N 3.43Å; E778-Q780 VanDerWaalsContact C-N 3.31Å; E778-Q780 PolarHBondContact O-N 2.86Å; E778-R781 WeakPolarHBondContact O-CA 3.38Å; E778-R781 WeakPolarHBondContact O-CB 3.4Å; E778-R781 PolarHBondContact O-N 3.05Å; E778-R781 IonicContact OE1-CZ 2.73Å; E778-R781 IonicContact OE1-NE 3.98Å; E778-R781 PolarHBondContact OE1-NE 2.81Å; E778-R781 IonicContact OE1-NH2 2.66Å; E778-R781 PolarHBondContact OE1-NH2 3.25Å; E778-R781 VanDerWaalsContact OE2-CD 3.31Å; E778-R781 WeakPolarHBondContact OE2-CD 3.37Å; E778-R781 IonicContact OE2-CZ 2.73Å; E778-R781 IonicContact OE2-NE 3.45Å; E778-R781 PolarHBondContact OE2-NE 2.86Å; E778-S782 PolarHBondContact O-N 3.18Å
779	G	81.8	Confident	87.9	Confident	8 Å²	8	22.3 Å²	22.3	8%	0.082	11%	0.107	C	C	.	.	H	α-helix	trans	-56.3	-44	174.7	0	0	0	0	0	112.6	S744 Y777 Y783	S744-G779 PolarHBondContact OG-N 2.79Å; Y777-G779 VanDerWaalsContact C-N 3.3Å; Y777-G779 PolarHBondContact O-N 2.67Å; G779-Y783 VanDerWaalsContact O-CB 3.25Å; G779-Y783 WeakPolarHBondContact O-CB 3Å; G779-Y783 PolarHBondContact O-N 3.19Å
780	Q	88.4	Confident	87.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.2	-35.6	172.9	-174.3	75.9	-24.6	0	0	112.1	Y745 L746 N747 T775 Y777 E778 Y783 L784 S821 V823	Y745-Q780 PolarHBondContact O-N 3.03Å; Y745-Q780 VanDerWaalsContact O-N 3.1Å; L746-Q780 HydrophobicContact CB-CB 4.24Å; L746-Q780 VanDerWaalsContact CB-OE1 3.3Å; N747-Q780 PolarHBondContact O-NE2 3.22Å; N747-Q780 PolarHBondContact O-OE1 3.2Å; T775-Q780 HydrophobicContact CG2-CG 4.46Å; T775-Q780 WeakPolarHBondContact OG1-CB 3.41Å; T775-Q780 VanDerWaalsContact OG1-CG 3.29Å; T775-Q780 WeakPolarHBondContact OG1-CG 3.38Å; Y777-Q780 PolarHBondContact O-N 3.3Å; E778-Q780 VanDerWaalsContact C-N 3.31Å; E778-Q780 PolarHBondContact O-N 2.86Å; Q780-Y783 PolarHBondContact O-N 3.49Å; Q780-L784 HydrophobicContact CG-CD1 3.92Å; Q780-L784 HydrophobicContact CG-CG 4.3Å; Q780-L784 VanDerWaalsContact O-CB 3.28Å; Q780-L784 WeakPolarHBondContact O-CB 3.42Å; Q780-L784 WeakPolarHBondContact O-CD1 3.13Å; Q780-L784 VanDerWaalsContact O-CG 3.24Å; Q780-L784 WeakPolarHBondContact O-CG 3.23Å; Q780-L784 PolarHBondContact O-N 2.75Å; Q780-S821 PolarHBondContact NE2-OG 3.17Å; Q780-V823 HydrophobicContact CB-CG2 3.64Å; Q780-V823 HydrophobicContact CG-CG2 3.52Å
781	R	86.9	Confident	86.6	Confident	19 Å²	19	26.2 Å²	26.2	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-53.6	176.1	-166.8	-159.3	67	82.5	2.4	110.9	T775 Y777 E778 L784 V785 I804	T775-R781 HydrophobicContact CG2-CB 3.72Å; T775-R781 HydrophobicContact CG2-CG 4.22Å; Y777-R781 PolarHBondContact O-N 3.1Å; E778-R781 WeakPolarHBondContact O-CA 3.38Å; E778-R781 WeakPolarHBondContact O-CB 3.4Å; E778-R781 PolarHBondContact O-N 3.05Å; E778-R781 IonicContact OE1-CZ 2.73Å; E778-R781 IonicContact OE1-NE 3.98Å; E778-R781 PolarHBondContact OE1-NE 2.81Å; E778-R781 IonicContact OE1-NH2 2.66Å; E778-R781 PolarHBondContact OE1-NH2 3.25Å; E778-R781 VanDerWaalsContact OE2-CD 3.31Å; E778-R781 WeakPolarHBondContact OE2-CD 3.37Å; E778-R781 IonicContact OE2-CZ 2.73Å; E778-R781 IonicContact OE2-NE 3.45Å; E778-R781 PolarHBondContact OE2-NE 2.86Å; R781-L784 PolarHBondContact O-N 3.22Å; R781-V785 WeakPolarHBondContact O-CG2 3.48Å; R781-V785 PolarHBondContact O-N 2.9Å; R781-V785 VanDerWaalsContact O-N 3.11Å; R781-I804 WeakPolarHBondContact CD-O 3.36Å; R781-I804 HydrophobicContact CG-CB 4.41Å; R781-I804 HydrophobicContact CG-CG2 3.86Å; R781-I804 WeakPolarHBondContact CG-O 3.36Å
782	S	81.5	Confident	85.9	Confident	13 Å²	13	27.2 Å²	27.2	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-37.7	-179.1	-165.6	0	0	0	0	111.7	K330 E778 V785 Q786	K330-S782 WeakPolarHBondContact CE-OG 3.47Å; K330-S782 PolarHBondContact NZ-OG 2.72Å; E778-S782 PolarHBondContact O-N 3.18Å; S782-V785 PolarHBondContact O-N 2.94Å; S782-Q786 WeakPolarHBondContact O-CB 3.44Å; S782-Q786 PolarHBondContact O-N 2.94Å; S782-Q786 VanDerWaalsContact O-N 3.08Å
783	Y	85.4	Confident	85.3	Confident	22 Å²	22	31 Å²	31	9%	0.086	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-37.8	174.3	-173.5	-110.1	0	0	0	112.9	Q192 L746 R748 A751 G779 Q780 Y787	Q192-Y783 HydrophobicContact CG-CE2 4.42Å; L746-Y783 HydrophobicContact CD2-CD2 4.28Å; L746-Y783 HydrophobicContact CD2-CG 3.96Å; R748-Y783 HydrophobicContact CG-CE1 4.16Å; A751-Y783 HydrophobicContact CB-CD1 3.78Å; A751-Y783 HydrophobicContact CB-CE1 3.72Å; G779-Y783 VanDerWaalsContact O-CB 3.25Å; G779-Y783 WeakPolarHBondContact O-CB 3Å; G779-Y783 PolarHBondContact O-N 3.19Å; Q780-Y783 PolarHBondContact O-N 3.49Å; Y783-Y787 WeakPolarHBondContact O-CB 3.38Å; Y783-Y787 PolarHBondContact O-N 2.75Å
784	L	89.6	Confident	84.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-47.3	174.8	-81.5	165.3	0	0	0	112.3	A751 V754 I773 T775 Q780 R781 Q786 Y787 M788 I804	A751-L784 HydrophobicContact CB-CD2 3.81Å; A751-L784 HydrophobicContact CB-CG 4.38Å; V754-L784 HydrophobicContact CB-CD2 3.91Å; V754-L784 HydrophobicContact CG1-CD2 3.72Å; I773-L784 HydrophobicContact CG2-CD1 3.98Å; T775-L784 HydrophobicContact CG2-CD1 4.03Å; Q780-L784 HydrophobicContact CG-CD1 3.92Å; Q780-L784 HydrophobicContact CG-CG 4.3Å; Q780-L784 VanDerWaalsContact O-CB 3.28Å; Q780-L784 WeakPolarHBondContact O-CB 3.42Å; Q780-L784 WeakPolarHBondContact O-CD1 3.13Å; Q780-L784 VanDerWaalsContact O-CG 3.24Å; Q780-L784 WeakPolarHBondContact O-CG 3.23Å; Q780-L784 PolarHBondContact O-N 2.75Å; R781-L784 PolarHBondContact O-N 3.22Å; L784-Q786 VanDerWaalsContact C-N 3.35Å; L784-Q786 PolarHBondContact O-N 3.1Å; L784-Y787 PolarHBondContact O-N 2.96Å; L784-M788 HydrophobicContact CD2-CE 4.14Å; L784-M788 WeakPolarHBondContact O-CG 3.47Å; L784-M788 PolarHBondContact O-N 2.89Å; L784-I804 HydrophobicContact CB-CD1 4.07Å; L784-I804 HydrophobicContact CB-CG2 4.21Å; L784-I804 HydrophobicContact CD1-CG2 4.14Å
785	V	84.6	Confident	84.5	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-57.1	-50.5	176.5	172.5	0	0	0	0	110	R781 S782 Q789 I804	R781-V785 WeakPolarHBondContact O-CG2 3.48Å; R781-V785 PolarHBondContact O-N 2.9Å; R781-V785 VanDerWaalsContact O-N 3.11Å; S782-V785 PolarHBondContact O-N 2.94Å; V785-Q789 VanDerWaalsContact O-CG 3.27Å; V785-Q789 WeakPolarHBondContact O-CG 3.25Å; V785-Q789 PolarHBondContact O-N 3.42Å; V785-Q789 VanDerWaalsContact O-N 3.15Å; V785-I804 HydrophobicContact CG2-CB 4.24Å; V785-I804 HydrophobicContact CG2-CD1 3.98Å; V785-I804 HydrophobicContact CG2-CG1 4.38Å
786	Q	81.6	Confident	84.1	Confident	46 Å²	46	41.9 Å²	41.9	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-46.2	178.6	-172.5	171.9	4.1	0	0	112.1	S782 L784 Q789 F790	S782-Q786 WeakPolarHBondContact O-CB 3.44Å; S782-Q786 PolarHBondContact O-N 2.94Å; S782-Q786 VanDerWaalsContact O-N 3.08Å; L784-Q786 VanDerWaalsContact C-N 3.35Å; L784-Q786 PolarHBondContact O-N 3.1Å; Q786-Q789 PolarHBondContact O-N 3.04Å; Q786-F790 HydrophobicContact CG-CD2 3.79Å; Q786-F790 HydrophobicContact CG-CE2 3.89Å; Q786-F790 VanDerWaalsContact O-CD2 3.29Å; Q786-F790 WeakPolarHBondContact O-CD2 3.42Å; Q786-F790 PolarHBondContact O-N 3.49Å; Q786-F790 VanDerWaalsContact O-N 3.16Å
787	Y	86.9	Confident	84.2	Confident	54 Å²	54	48.1 Å²	48.1	21%	0.212	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-43.7	-178	-174.2	-95	0	0	0	112.2	A752 E755 Y783 L784 Q789 F790 S791	A752-Y787 HydrophobicContact CB-CE1 4.15Å; E755-Y787 HydrophobicContact CB-CD1 4.12Å; E755-Y787 HydrophobicContact CB-CE1 3.9Å; E755-Y787 HydrophobicContact CG-CE1 4.28Å; Y783-Y787 WeakPolarHBondContact O-CB 3.38Å; Y783-Y787 PolarHBondContact O-N 2.75Å; L784-Y787 PolarHBondContact O-N 2.96Å; Y787-Q789 VanDerWaalsContact C-N 3.31Å; Y787-Q789 PolarHBondContact O-N 2.81Å; Y787-F790 PolarHBondContact O-N 2.9Å; Y787-S791 WeakPolarHBondContact O-CA 3.4Å; Y787-S791 VanDerWaalsContact O-CB 3.31Å; Y787-S791 WeakPolarHBondContact O-CB 3.45Å; Y787-S791 PolarHBondContact O-N 3.43Å
788	M	87.6	Confident	84.5	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-29.3	177.3	-65.9	-164.9	-171	0	0	113.1	V754 E755 T758 I773 L784 G792 Y799 I804	V754-M788 HydrophobicContact CG1-CE 3.76Å; E755-M788 HydrophobicContact CB-CE 4.36Å; E755-M788 HydrophobicContact CB-CG 4.27Å; E755-M788 HydrophobicContact CG-CG 4.26Å; T758-M788 HydrophobicContact CG2-SD 4.48Å; I773-M788 HydrophobicContact CD1-CE 3.39Å; I773-M788 HydrophobicContact CD1-SD 4.17Å; L784-M788 HydrophobicContact CD2-CE 4.14Å; L784-M788 WeakPolarHBondContact O-CG 3.47Å; L784-M788 PolarHBondContact O-N 2.89Å; M788-G792 WeakPolarHBondContact O-CA 3.45Å; M788-G792 PolarHBondContact O-N 2.73Å; M788-Y799 HydrophobicContact CB-CD1 4.08Å; M788-Y799 HydrophobicContact CB-CG 3.92Å; M788-Y799 HydrophobicContact CG-CD1 4.3Å; M788-Y799 HydrophobicContact SD-CD1 3.73Å; M788-Y799 HydrophobicContact SD-CE1 4.46Å; M788-Y799 HydrophobicContact SD-CG 4.38Å; M788-I804 HydrophobicContact SD-CD1 4.3Å
789	Q	82.2	Confident	85	Confident	50 Å²	50	46.1 Å²	46.1	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-39.4	176.1	-74.7	176.6	0.3	0	0	112.9	N367 V785 Q786 Y787 T796	N367-Q789 PolarHBondContact O-NE2 3.03Å; V785-Q789 VanDerWaalsContact O-CG 3.27Å; V785-Q789 WeakPolarHBondContact O-CG 3.25Å; V785-Q789 PolarHBondContact O-N 3.42Å; V785-Q789 VanDerWaalsContact O-N 3.15Å; Q786-Q789 PolarHBondContact O-N 3.04Å; Y787-Q789 VanDerWaalsContact C-N 3.31Å; Y787-Q789 PolarHBondContact O-N 2.81Å; Q789-T796 HydrophobicContact CB-CG2 4.15Å; Q789-T796 HydrophobicContact CG-CG2 4.01Å
790	F	79	Confident	85.1	Confident	145 Å²	145	47.5 Å²	47.5	64%	0.636	24%	0.244	S	C	*	.	H	α-helix	trans	-97.6	-24	-176.2	-70.5	-68.9	0	0	0	115.2	Q786 Y787	Q786-F790 HydrophobicContact CG-CD2 3.79Å; Q786-F790 HydrophobicContact CG-CE2 3.89Å; Q786-F790 VanDerWaalsContact O-CD2 3.29Å; Q786-F790 WeakPolarHBondContact O-CD2 3.42Å; Q786-F790 PolarHBondContact O-N 3.49Å; Q786-F790 VanDerWaalsContact O-N 3.16Å; Y787-F790 PolarHBondContact O-N 2.9Å
791	S	81.2	Confident	85.1	Confident	62 Å²	62	52.1 Å²	52.1	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-123.2	3.3	-175	-53.6	0	0	0	0	113.9	Y787	Y787-S791 WeakPolarHBondContact O-CA 3.4Å; Y787-S791 VanDerWaalsContact O-CB 3.31Å; Y787-S791 WeakPolarHBondContact O-CB 3.45Å; Y787-S791 PolarHBondContact O-N 3.43Å
792	G	81.6	Confident	85.2	Confident	22 Å²	22	51.2 Å²	51.2	23%	0.227	26%	0.262	C	S	.	.			trans	-65.6	136.1	178.7	0	0	0	0	0	112.8	M788 L794	M788-G792 WeakPolarHBondContact O-CA 3.45Å; M788-G792 PolarHBondContact O-N 2.73Å; G792-L794 PolarHBondContact O-N 2.85Å
793	S	83.3	Confident	85.6	Confident	78 Å²	78	52.5 Å²	52.5	55%	0.545	27%	0.267	S	S	.	.	S	Bend	trans	-74	-4.8	-179	-54.1	0	0	0	0	115.2	E755 Y799	E755-S793 PolarHBondContact OE1-N 3.06Å; E755-S793 VanDerWaalsContact OE1-N 3.12Å; E755-S793 PolarHBondContact OE1-OG 3.15Å; S793-Y799 PolarHBondContact N-OH 3.2Å
794	L	88	Confident	85.7	Confident	48 Å²	48	51.8 Å²	51.8	25%	0.251	27%	0.265	S	S	.	.	S	Bend	trans	-126	172.6	-176.1	-61.7	173.3	0	0	0	110.7	T759 L762 G792 T796 L798 Y799	T759-L794 HydrophobicContact CG2-CD1 4.29Å; T759-L794 HydrophobicContact CG2-CG 4.32Å; L762-L794 HydrophobicContact CB-CD1 3.81Å; L762-L794 HydrophobicContact CD1-CD1 3.85Å; G792-L794 PolarHBondContact O-N 2.85Å; L794-T796 PolarHBondContact O-N 3.33Å; L794-L798 HydrophobicContact CB-CD1 4.17Å; L794-Y799 HydrophobicContact CB-CE2 3.9Å; L794-Y799 WeakPolarHBondContact CB-OH 3.25Å; L794-Y799 PolarHBondContact N-OH 3.07Å; L794-Y799 WeakPolarHBondContact O-CE2 3.33Å
795	H	85.1	Confident	85.5	Confident	125 Å²	125	52.5 Å²	52.5	58%	0.579	27%	0.271	S	S	*	.			trans	-61.1	124.3	-179.5	-176.6	-79.9	0	0	0	112.4	K797 L798	H795-K797 VanDerWaalsContact C-N 3.28Å; H795-K797 PolarHBondContact ND1-N 3.17Å; H795-K797 PolarHBondContact O-N 3.14Å; H795-L798 WeakPolarHBondContact O-CB 3.32Å; H795-L798 PolarHBondContact O-N 3.18Å
796	T	85.2	Confident	85.4	Confident	57 Å²	57	52.9 Å²	52.9	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-46.4	-40.4	-169.2	-50.8	0	0	0	0	115.3	Q789 L794 L798 Y799 Q800	Q789-T796 HydrophobicContact CB-CG2 4.15Å; Q789-T796 HydrophobicContact CG-CG2 4.01Å; L794-T796 PolarHBondContact O-N 3.33Å; T796-L798 PolarHBondContact O-N 3.11Å; T796-L798 VanDerWaalsContact O-N 3.09Å; T796-Y799 PolarHBondContact O-N 3.05Å; T796-Q800 HydrophobicContact CG2-CG 4.35Å; T796-Q800 PolarHBondContact O-N 3.31Å; T796-Q800 VanDerWaalsContact O-N 3.15Å
797	K	86.4	Confident	85.4	Confident	136 Å²	136	50.8 Å²	50.8	59%	0.591	26%	0.264	S	S	*	.	H	α-helix	trans	-55.7	-26	177.4	-69.6	-179.6	-173.7	176.6	0	114.3	H795 Q801	H795-K797 VanDerWaalsContact C-N 3.28Å; H795-K797 PolarHBondContact ND1-N 3.17Å; H795-K797 PolarHBondContact O-N 3.14Å; K797-Q801 WeakPolarHBondContact O-CG 2.97Å; K797-Q801 PolarHBondContact O-N 3.42Å
798	L	89.8	Confident	84.9	Confident	63 Å²	63	49.3 Å²	49.3	33%	0.33	26%	0.26	S	S	.	.	H	α-helix	trans	-69	-45.4	175.8	-65.3	172.2	0	0	0	111.2	L762 P768 L794 H795 T796 Q801	L762-L798 HydrophobicContact CD1-CB 4.4Å; P768-L798 WeakPolarHBondContact CB-O 3.44Å; P768-L798 HydrophobicContact CG-CB 4.27Å; P768-L798 HydrophobicContact CG-CD2 3.85Å; L794-L798 HydrophobicContact CB-CD1 4.17Å; H795-L798 WeakPolarHBondContact O-CB 3.32Å; H795-L798 PolarHBondContact O-N 3.18Å; T796-L798 PolarHBondContact O-N 3.11Å; T796-L798 VanDerWaalsContact O-N 3.09Å; L798-Q801 PolarHBondContact O-N 3.19Å
799	Y	89.3	Confident	84.3	Confident	6 Å²	6	51 Å²	51	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-34.5	177.1	-56.8	-73.3	0	0	0	112.2	E755 T758 T759 L762 M788 S793 L794 T796 Q801 V802	E755-Y799 PolarHBondContact OE1-OH 3.03Å; T758-Y799 HydrophobicContact CG2-CD1 4.23Å; T758-Y799 HydrophobicContact CG2-CE1 4.36Å; T759-Y799 PolarHBondContact OG1-OH 3.03Å; L762-Y799 HydrophobicContact CD1-CE1 4.27Å; M788-Y799 HydrophobicContact CB-CD1 4.08Å; M788-Y799 HydrophobicContact CB-CG 3.92Å; M788-Y799 HydrophobicContact CG-CD1 4.3Å; M788-Y799 HydrophobicContact SD-CD1 3.73Å; M788-Y799 HydrophobicContact SD-CE1 4.46Å; M788-Y799 HydrophobicContact SD-CG 4.38Å; S793-Y799 PolarHBondContact N-OH 3.2Å; L794-Y799 HydrophobicContact CB-CE2 3.9Å; L794-Y799 WeakPolarHBondContact CB-OH 3.25Å; L794-Y799 PolarHBondContact N-OH 3.07Å; L794-Y799 WeakPolarHBondContact O-CE2 3.33Å; T796-Y799 PolarHBondContact O-N 3.05Å; Y799-Q801 PolarHBondContact O-N 2.7Å; Y799-V802 PolarHBondContact O-N 2.69Å
800	Q	83.3	Confident	84	Confident	38 Å²	38	48.6 Å²	48.6	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-29.6	175	-65.9	179.5	-45	0	0	112.5	N367 Y368 T796	N367-Q800 WeakPolarHBondContact CB-O 3.5Å; N367-Q800 PolarHBondContact ND2-O 2.6Å; Y368-Q800 HydrophobicContact CD1-CB 3.73Å; Y368-Q800 HydrophobicContact CD1-CG 4.28Å; Y368-Q800 HydrophobicContact CE1-CB 3.65Å; T796-Q800 HydrophobicContact CG2-CG 4.35Å; T796-Q800 PolarHBondContact O-N 3.31Å; T796-Q800 VanDerWaalsContact O-N 3.15Å
801	Q	87.9	Confident	83.8	Confident	96 Å²	96	42.5 Å²	42.5	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.8	176.9	-69.3	175	-4.7	0	0	114.2	P768 K797 L798 Y799	P768-Q801 HydrophobicContact CB-CB 3.4Å; P768-Q801 HydrophobicContact CG-CB 4.22Å; K797-Q801 WeakPolarHBondContact O-CG 2.97Å; K797-Q801 PolarHBondContact O-N 3.42Å; L798-Q801 PolarHBondContact O-N 3.19Å; Y799-Q801 PolarHBondContact O-N 2.7Å
802	V	90.6	Very high	83.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-83.1	113.5	176	175.7	0	0	0	0	109.7	N367 T758 P768 I771 I773 Y799 I804	N367-V802 PolarHBondContact ND2-O 2.9Å; T758-V802 HydrophobicContact CG2-CG1 4.26Å; T758-V802 HydrophobicContact CG2-CG2 4.02Å; P768-V802 HydrophobicContact CB-CG2 3.95Å; I771-V802 HydrophobicContact CB-CG1 3.99Å; I771-V802 HydrophobicContact CB-CG2 4.4Å; I771-V802 HydrophobicContact CG2-CG1 3.7Å; I773-V802 HydrophobicContact CD1-CG1 3.74Å; I773-V802 HydrophobicContact CG1-CG1 3.85Å; Y799-V802 PolarHBondContact O-N 2.69Å; V802-I804 WeakPolarHBondContact O-CG1 3.22Å; V802-I804 PolarHBondContact O-N 2.71Å
803	E	88.6	Confident	83.2	Confident	40 Å²	40	43.2 Å²	43.2	19%	0.187	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	114.8	-172.4	-170.3	175.8	154.4	0	0	112.4	G772 I773 F810 R813 K815	G772-E803 CarbonylContact C-O 3.58Å; G772-E803 WeakPolarHBondContact CA-O 3.42Å; I773-E803 PolarHBondContact N-O 2.98Å; E803-F810 HydrophobicContact CB-CZ 4.1Å; E803-F810 HydrophobicContact CG-CE1 4.15Å; E803-F810 HydrophobicContact CG-CE2 4.5Å; E803-F810 HydrophobicContact CG-CZ 3.74Å; E803-R813 WeakPolarHBondContact OE1-CD 3.15Å; E803-R813 IonicContact OE1-CZ 2.7Å; E803-R813 IonicContact OE1-NE 2.72Å; E803-R813 IonicContact OE1-NH1 3.13Å; E803-R813 PolarHBondContact OE1-NH1 3.27Å; E803-K815 WeakPolarHBondContact OE2-CE 3.38Å; E803-K815 IonicContact OE2-NZ 2.74Å; E803-K815 PolarHBondContact OE2-NZ 3.18Å
804	I	88.6	Confident	83.5	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.7	178.8	-42.1	-166.5	0	0	0	110	N367 I773 T775 R781 L784 V785 M788 V802	N367-I804 PolarHBondContact OD1-N 2.77Å; I773-I804 HydrophobicContact CB-CB 4.4Å; I773-I804 HydrophobicContact CB-CG1 4.2Å; I773-I804 HydrophobicContact CB-CG2 4.08Å; I773-I804 HydrophobicContact CD1-CD1 4Å; I773-I804 HydrophobicContact CD1-CG1 4.13Å; I773-I804 HydrophobicContact CG2-CG2 4.09Å; I773-I804 WeakPolarHBondContact O-CA 3.25Å; T775-I804 HydrophobicContact CG2-CG2 4.34Å; R781-I804 WeakPolarHBondContact CD-O 3.36Å; R781-I804 HydrophobicContact CG-CB 4.41Å; R781-I804 HydrophobicContact CG-CG2 3.86Å; R781-I804 WeakPolarHBondContact CG-O 3.36Å; L784-I804 HydrophobicContact CB-CD1 4.07Å; L784-I804 HydrophobicContact CB-CG2 4.21Å; L784-I804 HydrophobicContact CD1-CG2 4.14Å; V785-I804 HydrophobicContact CG2-CB 4.24Å; V785-I804 HydrophobicContact CG2-CD1 3.98Å; V785-I804 HydrophobicContact CG2-CG1 4.38Å; M788-I804 HydrophobicContact SD-CD1 4.3Å; V802-I804 WeakPolarHBondContact O-CG1 3.22Å; V802-I804 PolarHBondContact O-N 2.71Å
805	A	84.1	Confident	83.8	Confident	15 Å²	15	42.2 Å²	42.2	12%	0.124	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	175.2	-176	0	0	0	0	0	113.7	I773 I774 T775 A809 F810	I773-A805 PolarHBondContact O-N 2.95Å; I774-A805 WeakPolarHBondContact CA-O 3.45Å; T775-A805 PolarHBondContact N-O 3.15Å; A805-A809 HydrophobicContact CB-CB 3.88Å; A805-F810 HydrophobicContact CB-CD2 3.96Å; A805-F810 HydrophobicContact CB-CE2 3.71Å
806	S	82.9	Confident	84.4	Confident	18 Å²	18	37.1 Å²	37.1	13%	0.126	19%	0.19	C	C	.	.			trans	-79.1	161.5	175.9	69.2	0	0	0	0	113	T775 D808 A809 F810	T775-S806 VanDerWaalsContact O-CA 3.3Å; T775-S806 WeakPolarHBondContact O-CA 3.36Å; S806-D808 PolarHBondContact O-N 3Å; S806-D808 VanDerWaalsContact O-N 3.13Å; S806-A809 PolarHBondContact O-N 2.89Å; S806-A809 VanDerWaalsContact O-N 3.09Å; S806-F810 PolarHBondContact O-N 3Å
807	V	81.4	Confident	85	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.6	179.4	-177.9	0	0	0	0	111.9	I774 F810 Q811 F833 R839 V842 A843	I774-V807 HydrophobicContact CG2-CB 4.32Å; I774-V807 HydrophobicContact CG2-CG2 3.64Å; V807-F810 PolarHBondContact O-N 2.99Å; V807-Q811 PolarHBondContact O-N 3Å; V807-F833 HydrophobicContact CG2-CE2 3.96Å; V807-F833 HydrophobicContact CG2-CZ 3.99Å; V807-R839 HydrophobicContact CG1-CB 4.32Å; V807-R839 VanDerWaalsContact CG1-O 3.32Å; V807-R839 WeakPolarHBondContact CG1-O 3.32Å; V807-V842 HydrophobicContact CG1-CB 3.96Å; V807-V842 HydrophobicContact CG1-CG1 3.79Å; V807-A843 HydrophobicContact CG1-CB 4.33Å; V807-A843 HydrophobicContact CG2-CB 4.33Å
808	D	77.1	Confident	85.5	Confident	22 Å²	22	28.1 Å²	28.1	12%	0.118	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-41.3	-176.3	-51	-18	0	0	0	111.8	R336 L647 S806 F810 Q811 R839	R336-D808 IonicContact CZ-OD2 2.83Å; R336-D808 VanDerWaalsContact NH1-CB 3.3Å; R336-D808 IonicContact NH1-OD2 2.74Å; R336-D808 PolarHBondContact NH1-OD2 3.34Å; R336-D808 IonicContact NH2-OD2 3.71Å; R336-D808 PolarHBondContact NH2-OD2 2.92Å; L647-D808 HydrophobicContact CD1-CB 4.09Å; L647-D808 WeakPolarHBondContact CD1-OD1 3.46Å; S806-D808 PolarHBondContact O-N 3Å; S806-D808 VanDerWaalsContact O-N 3.13Å; D808-F810 PolarHBondContact O-N 2.87Å; D808-Q811 WeakPolarHBondContact O-CB 3.19Å; D808-Q811 PolarHBondContact O-N 3.44Å; D808-Q811 VanDerWaalsContact O-N 3.16Å; D808-R839 VanDerWaalsContact CG-NH1 3.26Å; D808-R839 IonicContact OD1-CZ 2.71Å; D808-R839 IonicContact OD1-NH1 2.83Å; D808-R839 PolarHBondContact OD1-NH1 3.13Å; D808-R839 IonicContact OD1-NH2 2.76Å; D808-R839 PolarHBondContact OD1-NH2 2.82Å; D808-R839 IonicContact OD2-CZ 3.15Å; D808-R839 IonicContact OD2-NH1 3.71Å; D808-R839 PolarHBondContact OD2-NH1 2.93Å; D808-R839 VanDerWaalsContact OD2-NH1 3.07Å; D808-R839 IonicContact OD2-NH2 2.6Å; D808-R839 PolarHBondContact OD2-NH2 3.14Å
809	A	74.2	Confident	86	Confident	38 Å²	38	25.1 Å²	25.1	31%	0.314	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.3	178.4	0	0	0	0	0	112.7	A805 S806 R813	A805-A809 HydrophobicContact CB-CB 3.88Å; S806-A809 PolarHBondContact O-N 2.89Å; S806-A809 VanDerWaalsContact O-N 3.09Å; A809-R813 PolarHBondContact O-NE 3.25Å
810	F	77	Confident	86.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.6	174.8	-87.8	-78.6	0	0	0	114.4	I774 E803 A805 S806 V807 D808 R813 K815 I818 R846	I774-F810 HydrophobicContact CD1-CB 4.35Å; I774-F810 HydrophobicContact CD1-CD2 4.33Å; I774-F810 HydrophobicContact CD1-CG 4.24Å; I774-F810 HydrophobicContact CG1-CD2 3.7Å; I774-F810 HydrophobicContact CG1-CE2 3.88Å; I774-F810 HydrophobicContact CG1-CG 4.08Å; I774-F810 HydrophobicContact CG1-CZ 4.43Å; E803-F810 HydrophobicContact CB-CZ 4.1Å; E803-F810 HydrophobicContact CG-CE1 4.15Å; E803-F810 HydrophobicContact CG-CE2 4.5Å; E803-F810 HydrophobicContact CG-CZ 3.74Å; A805-F810 HydrophobicContact CB-CD2 3.96Å; A805-F810 HydrophobicContact CB-CE2 3.71Å; S806-F810 PolarHBondContact O-N 3Å; V807-F810 PolarHBondContact O-N 2.99Å; D808-F810 PolarHBondContact O-N 2.87Å; F810-R813 HydrophobicContact CD1-CB 4.36Å; F810-R813 WeakPolarHBondContact O-CB 3.44Å; F810-R813 PolarHBondContact O-N 2.72Å; F810-R813 VanDerWaalsContact O-N 3.17Å; F810-K815 HydrophobicContact CE1-CG 4.18Å; F810-I818 HydrophobicContact CE1-CD1 4.47Å; F810-R846 HydrophobicContact CB-CG 4.19Å; F810-R846 WeakPolarHBondContact O-CD 3.46Å
811	Q	75.1	Confident	86.9	Confident	17 Å²	17	23.2 Å²	23.2	8%	0.079	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	147.4	173.7	-163.9	170.3	3.4	0	0	110.8	E618 Q621 V807 D808 R813	E618-Q811 PolarHBondContact OE2-NE2 3.18Å; Q621-Q811 VanDerWaalsContact CD-CD 3.4Å; Q621-Q811 VanDerWaalsContact NE2-NE2 3.11Å; V807-Q811 PolarHBondContact O-N 3Å; D808-Q811 WeakPolarHBondContact O-CB 3.19Å; D808-Q811 PolarHBondContact O-N 3.44Å; D808-Q811 VanDerWaalsContact O-N 3.16Å; Q811-R813 PolarHBondContact O-N 3.18Å
812	G	68.3	Low	87.2	Confident	17 Å²	17	18.6 Å²	18.6	18%	0.175	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-22.9	-168.8	0	0	0	0	0	115.7	Q510	Q510-G812 PolarHBondContact NE2-O 2.81Å; Q510-G812 PolarHBondContact OE1-O 2.84Å
813	R	81.8	Confident	87.3	Confident	83 Å²	83	18.6 Å²	18.6	31%	0.313	10%	0.1	S	C	.	.			trans	-83.1	166.8	-179.4	-55.5	-175.6	-176.2	-164.9	-3.2	112.6	I506 R684 E803 A809 F810 Q811	I506-R813 VanDerWaalsContact CD1-NH2 3.31Å; R684-R813 PolarHBondContact NH1-O 3.46Å; R684-R813 PolarHBondContact NH2-O 3.3Å; E803-R813 WeakPolarHBondContact OE1-CD 3.15Å; E803-R813 IonicContact OE1-CZ 2.7Å; E803-R813 IonicContact OE1-NE 2.72Å; E803-R813 IonicContact OE1-NH1 3.13Å; E803-R813 PolarHBondContact OE1-NH1 3.27Å; A809-R813 PolarHBondContact O-NE 3.25Å; F810-R813 HydrophobicContact CD1-CB 4.36Å; F810-R813 WeakPolarHBondContact O-CB 3.44Å; F810-R813 PolarHBondContact O-N 2.72Å; F810-R813 VanDerWaalsContact O-N 3.17Å; Q811-R813 PolarHBondContact O-N 3.18Å
814	E	89.4	Confident	87.3	Confident	81 Å²	81	17 Å²	17	38%	0.379	9%	0.093	S	C	.	.			trans	-147.7	156.6	167.3	57.2	-177.3	-123.1	0	0	111.4	R684 R846 K848	R684-E814 IonicContact CZ-OE2 3.62Å; R684-E814 IonicContact NE-OE2 3.21Å; R684-E814 PolarHBondContact NE-OE2 2.67Å; R684-E814 IonicContact NH2-OE2 3.17Å; R684-E814 PolarHBondContact NH2-OE2 3.4Å; E814-R846 CarbonylContact C-O 3.55Å; E814-R846 VanDerWaalsContact CA-O 3.24Å; E814-R846 WeakPolarHBondContact CA-O 3.41Å; E814-R846 WeakPolarHBondContact CB-O 3.43Å; E814-K848 HydrophobicContact CB-CD 4.38Å; E814-K848 HydrophobicContact CG-CD 4.2Å; E814-K848 VanDerWaalsContact OE1-CD 3.31Å; E814-K848 WeakPolarHBondContact OE1-CD 3.29Å; E814-K848 WeakPolarHBondContact OE1-CE 3.32Å; E814-K848 IonicContact OE1-NZ 2.71Å; E814-K848 PolarHBondContact OE1-NZ 3.02Å
815	K	94.4	Very high	87	Confident	23 Å²	23	17.4 Å²	17.4	10%	0.1	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	165.2	176.1	-68.3	-72	-176.7	169.1	0	109.5	D769 E803 F810 I818 R846 A847 K848	D769-K815 VanDerWaalsContact O-CD 3.3Å; D769-K815 WeakPolarHBondContact O-CD 3.38Å; D769-K815 PolarHBondContact O-NZ 2.86Å; E803-K815 WeakPolarHBondContact OE2-CE 3.38Å; E803-K815 IonicContact OE2-NZ 2.74Å; E803-K815 PolarHBondContact OE2-NZ 3.18Å; F810-K815 HydrophobicContact CE1-CG 4.18Å; K815-I818 HydrophobicContact CB-CD1 3.74Å; K815-I818 HydrophobicContact CB-CG1 4.28Å; K815-I818 HydrophobicContact CG-CD1 3.91Å; K815-R846 PolarHBondContact N-O 3.42Å; K815-A847 CarbonylContact O-C 3.57Å; K815-A847 WeakPolarHBondContact O-CA 3.49Å; K815-K848 WeakPolarHBondContact O-CD 3.21Å; K815-K848 WeakPolarHBondContact O-CG 3.37Å; K815-K848 PolarHBondContact O-N 3.43Å
816	D	96.8	Very high	86.8	Confident	18 Å²	18	17.7 Å²	17.7	10%	0.096	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-45.1	172.4	-74.1	-9.1	0	0	0	110.4	K713 Q770 K848 Y849 G850	K713-D816 IonicContact NZ-OD2 3.71Å; K713-D816 PolarHBondContact NZ-OD2 3.36Å; Q770-D816 HydrophobicContact CB-CB 4.09Å; Q770-D816 PolarHBondContact O-N 3.48Å; D816-K848 PolarHBondContact O-N 2.86Å; D816-K848 WeakPolarHBondContact OD1-CD 3.46Å; D816-Y849 HydrophobicContact CB-CD2 3.54Å; D816-Y849 HydrophobicContact CB-CE2 4.14Å; D816-Y849 HydrophobicContact CB-CG 4.45Å; D816-Y849 VanDerWaalsContact CG-CD2 3.42Å; D816-Y849 VanDerWaalsContact CG-CE2 3.46Å; D816-Y849 WeakPolarHBondContact O-CA 3.31Å; D816-Y849 PolarHBondContact O-N 2.88Å; D816-Y849 WeakPolarHBondContact OD1-CD2 3.27Å; D816-Y849 VanDerWaalsContact OD1-CE2 3.28Å; D816-Y849 WeakPolarHBondContact OD1-CE2 3.47Å; D816-G850 PolarHBondContact O-N 3.42Å; D816-G850 VanDerWaalsContact O-N 3.16Å
817	F	98	Very high	85.7	Confident	3 Å²	3	23.5 Å²	23.5	1%	0.013	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.8	177.8	-54.6	-73.6	0	0	0	111.5	K713 F716 W720 L761 A766 Q770 G772 G850	K713-F817 HydrophobicContact CB-CZ 4.37Å; K713-F817 HydrophobicContact CG-CZ 4.35Å; F716-F817 HydrophobicContact CD1-CE1 4.42Å; F716-F817 AromaticContact CD1-CZ 3.94Å; F716-F817 HydrophobicContact CD1-CZ 3.94Å; F716-F817 HydrophobicContact CD2-CE2 4.39Å; F716-F817 HydrophobicContact CD2-CZ 4.1Å; F716-F817 AromaticContact CE1-CE1 3.59Å; F716-F817 HydrophobicContact CE1-CE1 3.59Å; F716-F817 HydrophobicContact CE1-CE2 4.47Å; F716-F817 AromaticContact CE1-CZ 3.44Å; F716-F817 HydrophobicContact CE1-CZ 3.44Å; F716-F817 VanDerWaalsContact CE1-CZ 3.44Å; F716-F817 HydrophobicContact CE2-CE1 4.34Å; F716-F817 AromaticContact CE2-CE2 3.9Å; F716-F817 HydrophobicContact CE2-CE2 3.9Å; F716-F817 AromaticContact CE2-CZ 3.65Å; F716-F817 HydrophobicContact CE2-CZ 3.65Å; F716-F817 HydrophobicContact CG-CZ 4.23Å; F716-F817 HydrophobicContact CZ-CD1 4.36Å; F716-F817 AromaticContact CZ-CE1 3.54Å; F716-F817 HydrophobicContact CZ-CE1 3.54Å; F716-F817 AromaticContact CZ-CE2 3.93Å; F716-F817 HydrophobicContact CZ-CE2 3.93Å; F716-F817 AromaticContact CZ-CZ 3.28Å; F716-F817 HydrophobicContact CZ-CZ 3.28Å; W720-F817 HydrophobicContact CZ2-CD1 4.41Å; W720-F817 HydrophobicContact CZ2-CE1 4.21Å; L761-F817 HydrophobicContact CD1-CB 4.2Å; L761-F817 HydrophobicContact CD2-CD1 4.34Å; L761-F817 HydrophobicContact CD2-CG 4.33Å; A766-F817 HydrophobicContact CB-CD2 3.9Å; A766-F817 HydrophobicContact CB-CE2 3.72Å; Q770-F817 PolarHBondContact O-N 2.99Å; G772-F817 PolarHBondContact N-O 3.42Å; F817-G850 WeakPolarHBondContact CA-O 3.4Å
818	I	98.1	Very high	84.6	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.9	174.6	-67.2	-69.5	0	0	0	110.1	G772 I774 F810 K815 R846 A847 G850 V851 I852	G772-I818 WeakPolarHBondContact O-CA 3.4Å; I774-I818 HydrophobicContact CD1-CD1 4.16Å; I774-I818 HydrophobicContact CD1-CG2 3.71Å; I774-I818 HydrophobicContact CG1-CD1 4.34Å; I774-I818 HydrophobicContact CG1-CG2 3.96Å; F810-I818 HydrophobicContact CE1-CD1 4.47Å; K815-I818 HydrophobicContact CB-CD1 3.74Å; K815-I818 HydrophobicContact CB-CG1 4.28Å; K815-I818 HydrophobicContact CG-CD1 3.91Å; I818-R846 HydrophobicContact CD1-CB 3.82Å; I818-R846 HydrophobicContact CG1-CB 3.84Å; I818-A847 HydrophobicContact CB-CB 4.03Å; I818-A847 HydrophobicContact CG1-CB 3.75Å; I818-G850 PolarHBondContact N-O 2.78Å; I818-V851 WeakPolarHBondContact O-CA 3.27Å; I818-I852 PolarHBondContact O-N 2.98Å
819	I	98.4	Very high	83.6	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128	166.8	-48.9	171.4	0	0	0	107.9	V754 I757 T758 L761 G772 I773 I774 I852 V854	V754-I819 HydrophobicContact CG1-CD1 4.49Å; V754-I819 HydrophobicContact CG1-CG2 4.1Å; V754-I819 HydrophobicContact CG2-CG2 3.96Å; I757-I819 HydrophobicContact CB-CD1 4.09Å; I757-I819 HydrophobicContact CG2-CD1 3.52Å; I757-I819 HydrophobicContact CG2-CG1 3.94Å; T758-I819 VanDerWaalsContact OG1-CD1 3.24Å; T758-I819 WeakPolarHBondContact OG1-CD1 3.16Å; L761-I819 HydrophobicContact CD1-CD1 4.1Å; L761-I819 HydrophobicContact CD1-CG1 4.31Å; G772-I819 PolarHBondContact O-N 2.91Å; I773-I819 CarbonylContact C-O 3.53Å; I773-I819 WeakPolarHBondContact CA-O 3.37Å; I773-I819 HydrophobicContact CG1-CB 4.4Å; I773-I819 HydrophobicContact CG1-CD1 4.3Å; I774-I819 PolarHBondContact N-O 2.91Å; I819-I852 CarbonylContact C-O 3.59Å; I819-I852 VanDerWaalsContact CA-O 3.28Å; I819-I852 WeakPolarHBondContact CA-O 3.46Å; I819-V854 HydrophobicContact CG2-CG2 4.05Å
820	L	97.1	Very high	83	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.7	176.1	175.6	61.3	0	0	0	109.4	I774 A843 I852 I853 V854 W866	I774-L820 HydrophobicContact CB-CD1 4.06Å; I774-L820 HydrophobicContact CG2-CD1 3.89Å; I774-L820 WeakPolarHBondContact O-CA 3.46Å; L820-A843 HydrophobicContact CD1-CB 4.38Å; L820-A843 HydrophobicContact CD2-CB 4.24Å; L820-I852 PolarHBondContact N-O 2.93Å; L820-I853 HydrophobicContact CB-CG1 4.47Å; L820-I853 HydrophobicContact CB-CG2 4.46Å; L820-I853 HydrophobicContact CD2-CG1 4.43Å; L820-I853 HydrophobicContact CD2-CG2 4.21Å; L820-I853 HydrophobicContact CG-CG2 4.4Å; L820-V854 PolarHBondContact O-N 2.92Å; L820-W866 HydrophobicContact CD2-CH2 4.2Å
821	S	96.1	Very high	82.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.6	166.3	-172.9	0	0	0	0	108.6	E750 I774 P776 Q780	E750-S821 PolarHBondContact OE2-OG 3.15Å; I774-S821 PolarHBondContact O-N 3.31Å; P776-S821 WeakPolarHBondContact CG-O 3.39Å; Q780-S821 PolarHBondContact NE2-OG 3.17Å
822	C	93.6	Very high	82.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.			trans	-97.5	-27.6	178.4	-70.2	0	0	0	0	112.7	E750 R824 L834 V854 L860	E750-C822 PolarHBondContact OE2-N 3.43Å; C822-R824 PolarHBondContact O-N 2.93Å; C822-L834 WeakPolarHBondContact O-CD1 3.32Å; C822-V854 PolarHBondContact N-O 3.33Å; C822-L860 HydrophobicContact CB-CD1 4.01Å; C822-L860 HydrophobicContact CB-CD2 4.33Å
823	V	92.1	Very high	82.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.			trans	66.1	-47.9	-179.5	-175.2	0	0	0	0	115.2	N747 E750 P776 Y777 Q780	N747-V823 HydrophobicContact CB-CG1 4.14Å; N747-V823 PolarHBondContact ND2-O 2.99Å; E750-V823 VanDerWaalsContact OE1-CA 3.28Å; E750-V823 WeakPolarHBondContact OE1-CA 2.9Å; E750-V823 PolarHBondContact OE1-N 3.11Å; E750-V823 PolarHBondContact OE2-N 3.32Å; P776-V823 HydrophobicContact CB-CG2 4.02Å; P776-V823 HydrophobicContact CG-CG2 4.13Å; Y777-V823 HydrophobicContact CD2-CB 3.93Å; Y777-V823 HydrophobicContact CD2-CG1 4.11Å; Y777-V823 HydrophobicContact CD2-CG2 4.22Å; Q780-V823 HydrophobicContact CB-CG2 3.64Å; Q780-V823 HydrophobicContact CG-CG2 3.52Å
824	R	89.1	Confident	81.6	Confident	6 Å²	6	32.3 Å²	32.3	2%	0.023	18%	0.175	C	C	.	.			trans	-74.3	132.1	-166.5	-56.6	-55	-61.2	-77.1	11.4	112.6	E736 Y777 C822 N826 G830 I831 L834 A859	E736-R824 IonicContact OE1-CZ 3.87Å; E736-R824 VanDerWaalsContact OE1-CZ 3.29Å; E736-R824 IonicContact OE1-NE 3.53Å; E736-R824 PolarHBondContact OE1-NE 3.17Å; E736-R824 IonicContact OE1-NH2 3.98Å; E736-R824 PolarHBondContact OE1-NH2 3.32Å; E736-R824 WeakPolarHBondContact OE2-CA 3.47Å; E736-R824 IonicContact OE2-CZ 2.78Å; E736-R824 IonicContact OE2-NE 3.47Å; E736-R824 PolarHBondContact OE2-NE 3.1Å; E736-R824 IonicContact OE2-NH2 3.76Å; Y777-R824 HydrophobicContact CE2-CG 3.65Å; Y777-R824 PolarHBondContact OH-NH1 3.37Å; Y777-R824 VanDerWaalsContact OH-NH1 3.12Å; C822-R824 PolarHBondContact O-N 2.93Å; R824-N826 PolarHBondContact NH2-ND2 3.42Å; R824-G830 PolarHBondContact NH1-O 2.9Å; R824-I831 HydrophobicContact CB-CB 4.42Å; R824-I831 HydrophobicContact CB-CG2 4.2Å; R824-I831 HydrophobicContact CG-CB 4.42Å; R824-L834 HydrophobicContact CG-CD1 4.15Å; R824-A859 WeakPolarHBondContact O-CB 3.5Å
825	A	82.6	Confident	81.2	Confident	16 Å²	16	31.7 Å²	31.7	13%	0.132	18%	0.175	C	C	.	.			trans	-155.9	45.8	-165.5	0	0	0	0	0	112.8	G734 E736 N856	G734-A825 WeakPolarHBondContact O-CB 3.29Å; E736-A825 PolarHBondContact OE2-N 3.17Å; A825-N856 HydrophobicContact CB-CB 3.89Å; A825-N856 WeakPolarHBondContact CB-ND2 3.39Å
826	N	78.9	Confident	80.6	Confident	21 Å²	21	32.2 Å²	32.2	11%	0.112	18%	0.179	C	C	.	.			trans	-117.8	166.4	-176.2	64.7	52.5	0	0	0	113.8	E736 R824 Q829 K862	E736-N826 PolarHBondContact OE1-ND2 2.96Å; E736-N826 PolarHBondContact OE2-ND2 2.79Å; R824-N826 PolarHBondContact NH2-ND2 3.42Å; N826-Q829 PolarHBondContact OD1-N 3.41Å; N826-Q829 PolarHBondContact OD1-O 2.73Å; N826-Q829 VanDerWaalsContact OD1-O 3.1Å; N826-K862 PolarHBondContact O-NZ 2.84Å
827	E	61	Low	80.1	Confident	140 Å²	140	33 Å²	33	65%	0.654	19%	0.185	S	C	*	.	S	Bend	trans	-94.8	-32.5	-175.6	-58.1	-146.9	131.8	0	0	114.1	K862	E827-K862 PolarHBondContact O-NZ 2.91Å
828	H	57.5	Low	79.6	Confident	177 Å²	177	35.7 Å²	35.7	82%	0.819	20%	0.195	S	C	*	.	S	Bend	trans	-118.4	4.5	-169.8	-57.5	-63	0	0	0	116.6
829	Q	57.1	Low	79.1	Confident	49 Å²	49	38.2 Å²	38.2	23%	0.229	20%	0.204	C	C	.	.	S	Bend	trans	-123.9	158.4	-172.1	-60.1	177.6	12.5	0	0	113.6	N826	N826-Q829 PolarHBondContact OD1-N 3.41Å; N826-Q829 PolarHBondContact OD1-O 2.73Å; N826-Q829 VanDerWaalsContact OD1-O 3.1Å
830	G	60.8	Low	78.8	Confident	46 Å²	46	38.5 Å²	38.5	47%	0.474	21%	0.206	S	C	.	.			trans	-72.1	145.9	173.7	0	0	0	0	0	112.5	R824 G832	R824-G830 PolarHBondContact NH1-O 2.9Å; G830-G832 PolarHBondContact O-N 3.49Å
831	I	67.3	Low	78.6	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	21%	0.205	C	C	.	.			trans	-71.3	8	179.8	63.6	173.9	0	0	0	114.1	Y777 R824 F833 L834 N835 L860 Q863 W866	Y777-I831 PolarHBondContact OH-O 3.34Å; R824-I831 HydrophobicContact CB-CB 4.42Å; R824-I831 HydrophobicContact CB-CG2 4.2Å; R824-I831 HydrophobicContact CG-CB 4.42Å; I831-F833 PolarHBondContact O-N 3.01Å; I831-L834 HydrophobicContact CB-CB 4.07Å; I831-L834 HydrophobicContact CB-CD1 4.14Å; I831-L834 HydrophobicContact CD1-CB 3.57Å; I831-L834 HydrophobicContact CD1-CD1 4.39Å; I831-L834 HydrophobicContact CG1-CB 3.73Å; I831-L834 PolarHBondContact O-N 2.89Å; I831-N835 WeakPolarHBondContact CG1-OD1 3.48Å; I831-L860 HydrophobicContact CD1-CD2 4.01Å; I831-L860 HydrophobicContact CG2-CD2 4.36Å; I831-Q863 HydrophobicContact CD1-CB 4.06Å; I831-Q863 HydrophobicContact CD1-CG 3.62Å; I831-Q863 HydrophobicContact CG1-CG 3.8Å; I831-W866 VanDerWaalsContact CD1-CD1 3.47Å; I831-W866 HydrophobicContact CD1-CG 4.18Å
832	G	69.4	Low	78.3	Confident	35 Å²	35	38.3 Å²	38.3	36%	0.361	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	66	-121.8	168.8	0	0	0	0	0	112.5	G830 L834 N835	G830-G832 PolarHBondContact O-N 3.49Å; G832-L834 PolarHBondContact O-N 3.33Å; G832-L834 VanDerWaalsContact O-N 3.15Å; G832-N835 VanDerWaalsContact O-CB 3.28Å; G832-N835 WeakPolarHBondContact O-CB 3.31Å; G832-N835 VanDerWaalsContact O-CG 3.26Å; G832-N835 PolarHBondContact O-N 2.8Å
833	F	64	Low	78.3	Confident	45 Å²	45	38.4 Å²	38.4	20%	0.197	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.1	-23	-176.2	111.4	-72.4	0	0	0	112.9	P776 Y777 V807 I831 N835 D836 R839	P776-F833 HydrophobicContact CB-CD1 4.32Å; P776-F833 HydrophobicContact CB-CE1 3.64Å; P776-F833 HydrophobicContact CB-CZ 4.34Å; P776-F833 HydrophobicContact CG-CE1 3.8Å; P776-F833 HydrophobicContact CG-CZ 4.27Å; P776-F833 WeakPolarHBondContact O-CE1 3.24Å; P776-F833 WeakPolarHBondContact O-CZ 3.35Å; Y777-F833 HydrophobicContact CE2-CD1 4.12Å; V807-F833 HydrophobicContact CG2-CE2 3.96Å; V807-F833 HydrophobicContact CG2-CZ 3.99Å; I831-F833 PolarHBondContact O-N 3.01Å; F833-N835 PolarHBondContact O-N 2.95Å; F833-D836 PolarHBondContact O-N 3.18Å; F833-R839 HydrophobicContact CE2-CB 4.45Å; F833-R839 WeakPolarHBondContact O-CD 3.47Å
834	L	72.9	Confident	78.4	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.052	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-69	-6.5	175.7	-66.8	172.7	0	0	0	113.9	C822 R824 I831 G832 L860 W866	C822-L834 WeakPolarHBondContact O-CD1 3.32Å; R824-L834 HydrophobicContact CG-CD1 4.15Å; I831-L834 HydrophobicContact CB-CB 4.07Å; I831-L834 HydrophobicContact CB-CD1 4.14Å; I831-L834 HydrophobicContact CD1-CB 3.57Å; I831-L834 HydrophobicContact CD1-CD1 4.39Å; I831-L834 HydrophobicContact CG1-CB 3.73Å; I831-L834 PolarHBondContact O-N 2.89Å; G832-L834 PolarHBondContact O-N 3.33Å; G832-L834 VanDerWaalsContact O-N 3.15Å; L834-L860 HydrophobicContact CD1-CD2 3.91Å; L834-W866 HydrophobicContact CD2-CZ2 3.87Å; L834-W866 PolarHBondContact O-NE1 3.46Å
835	N	79.4	Confident	78.7	Confident	68 Å²	68	38.5 Å²	38.5	36%	0.364	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-71.3	-27.5	176.3	-72.2	-8.4	0	0	0	113.2	I831 G832 F833 P837 Q863	I831-N835 WeakPolarHBondContact CG1-OD1 3.48Å; G832-N835 VanDerWaalsContact O-CB 3.28Å; G832-N835 WeakPolarHBondContact O-CB 3.31Å; G832-N835 VanDerWaalsContact O-CG 3.26Å; G832-N835 PolarHBondContact O-N 2.8Å; F833-N835 PolarHBondContact O-N 2.95Å; N835-P837 WeakPolarHBondContact O-CD 3.15Å; N835-Q863 WeakPolarHBondContact OD1-CG 3.41Å; N835-Q863 PolarHBondContact OD1-NE2 3.26Å
836	D	81.8	Confident	79.3	Confident	35 Å²	35	37.9 Å²	37.9	19%	0.187	20%	0.201	C	C	.	.			trans	-73.4	116.3	-176.2	-171.5	-27.4	0	0	0	110.7	F833 R838 R839 L840	F833-D836 PolarHBondContact O-N 3.18Å; D836-R838 PolarHBondContact O-N 3.42Å; D836-R838 WeakPolarHBondContact OD1-CB 3.37Å; D836-R838 WeakPolarHBondContact OD1-CG 3.3Å; D836-R838 IonicContact OD1-CZ 3.78Å; D836-R838 PolarHBondContact OD1-N 3.3Å; D836-R838 IonicContact OD1-NE 2.79Å; D836-R838 PolarHBondContact OD1-NE 2.69Å; D836-R838 VanDerWaalsContact OD1-NE 3.09Å; D836-R838 IonicContact OD1-NH2 3.89Å; D836-R838 IonicContact OD2-CZ 3.91Å; D836-R838 IonicContact OD2-NE 2.77Å; D836-R838 PolarHBondContact OD2-NE 3.23Å; D836-R838 IonicContact OD2-NH2 2.75Å; D836-R838 PolarHBondContact OD2-NH2 3.33Å; D836-R839 HydrophobicContact CB-CB 4.2Å; D836-R839 HydrophobicContact CB-CG 3.9Å; D836-R839 WeakPolarHBondContact O-CB 3.33Å; D836-R839 PolarHBondContact O-N 3.09Å; D836-R839 VanDerWaalsContact O-N 3.12Å; D836-L840 PolarHBondContact O-N 3.4Å
837	P	87.8	Confident	80.1	Confident	35 Å²	35	36.9 Å²	36.9	23%	0.227	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-28.9	-178.5	-27.2	40.6	0	0	0	113.6	F697 N835 R839 L840 N841 L865 I904	F697-P837 HydrophobicContact CE1-CB 3.93Å; F697-P837 WeakPolarHBondContact CE1-O 3.43Å; N835-P837 WeakPolarHBondContact O-CD 3.15Å; P837-R839 VanDerWaalsContact C-N 3.34Å; P837-L840 PolarHBondContact O-N 3.11Å; P837-N841 PolarHBondContact O-N 3.01Å; P837-L865 HydrophobicContact CB-CD2 3.56Å; P837-L865 HydrophobicContact CG-CD2 3.94Å; P837-I904 HydrophobicContact CB-CD1 3.68Å; P837-I904 HydrophobicContact CG-CD1 3.45Å; P837-I904 VanDerWaalsContact CG-CD1 3.45Å
838	R	87.6	Confident	81.8	Confident	58 Å²	58	32.5 Å²	32.5	22%	0.219	18%	0.175	C	C	.	.	H	α-helix	trans	-69.6	-33.4	179.5	-56	170.7	-59.8	173.3	5.2	111.3	H644 C645 Q646 L647 E667 D836 N841 V842 I904	H644-R838 WeakPolarHBondContact O-CD 3.46Å; C645-R838 WeakPolarHBondContact O-CA 3.18Å; Q646-R838 WeakPolarHBondContact O-CB 3.44Å; Q646-R838 WeakPolarHBondContact O-CD 3.47Å; L647-R838 HydrophobicContact CD2-CB 4.41Å; E667-R838 IonicContact OE1-NH1 3.19Å; D836-R838 PolarHBondContact O-N 3.42Å; D836-R838 WeakPolarHBondContact OD1-CB 3.37Å; D836-R838 WeakPolarHBondContact OD1-CG 3.3Å; D836-R838 IonicContact OD1-CZ 3.78Å; D836-R838 PolarHBondContact OD1-N 3.3Å; D836-R838 IonicContact OD1-NE 2.79Å; D836-R838 PolarHBondContact OD1-NE 2.69Å; D836-R838 VanDerWaalsContact OD1-NE 3.09Å; D836-R838 IonicContact OD1-NH2 3.89Å; D836-R838 IonicContact OD2-CZ 3.91Å; D836-R838 IonicContact OD2-NE 2.77Å; D836-R838 PolarHBondContact OD2-NE 3.23Å; D836-R838 IonicContact OD2-NH2 2.75Å; D836-R838 PolarHBondContact OD2-NH2 3.33Å; R838-N841 PolarHBondContact O-N 3.5Å; R838-V842 PolarHBondContact O-N 3.11Å; R838-I904 HydrophobicContact CG-CG2 4.3Å
839	R	87.1	Confident	83.7	Confident	54 Å²	54	26.3 Å²	26.3	20%	0.204	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-45	172.8	-69.8	176.6	174.9	-87.8	-15	111.1	L647 V807 D808 F833 D836 P837 V842 A843	L647-R839 HydrophobicContact CD2-CB 4.15Å; L647-R839 HydrophobicContact CD2-CG 3.34Å; V807-R839 HydrophobicContact CG1-CB 4.32Å; V807-R839 VanDerWaalsContact CG1-O 3.32Å; V807-R839 WeakPolarHBondContact CG1-O 3.32Å; D808-R839 VanDerWaalsContact CG-NH1 3.26Å; D808-R839 IonicContact OD1-CZ 2.71Å; D808-R839 IonicContact OD1-NH1 2.83Å; D808-R839 PolarHBondContact OD1-NH1 3.13Å; D808-R839 IonicContact OD1-NH2 2.76Å; D808-R839 PolarHBondContact OD1-NH2 2.82Å; D808-R839 IonicContact OD2-CZ 3.15Å; D808-R839 IonicContact OD2-NH1 3.71Å; D808-R839 PolarHBondContact OD2-NH1 2.93Å; D808-R839 VanDerWaalsContact OD2-NH1 3.07Å; D808-R839 IonicContact OD2-NH2 2.6Å; D808-R839 PolarHBondContact OD2-NH2 3.14Å; F833-R839 HydrophobicContact CE2-CB 4.45Å; F833-R839 WeakPolarHBondContact O-CD 3.47Å; D836-R839 HydrophobicContact CB-CB 4.2Å; D836-R839 HydrophobicContact CB-CG 3.9Å; D836-R839 WeakPolarHBondContact O-CB 3.33Å; D836-R839 PolarHBondContact O-N 3.09Å; D836-R839 VanDerWaalsContact O-N 3.12Å; P837-R839 VanDerWaalsContact C-N 3.34Å; R839-V842 PolarHBondContact O-N 3.48Å; R839-A843 WeakPolarHBondContact O-CB 3.4Å; R839-A843 PolarHBondContact O-N 2.63Å
840	L	90.9	Very high	85.6	Confident	6 Å²	6	24 Å²	24	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-43	175.3	-176.8	59.1	0	0	0	111.9	D836 P837 V842 A843 L844 L865 W866 L869	D836-L840 PolarHBondContact O-N 3.4Å; P837-L840 PolarHBondContact O-N 3.11Å; L840-V842 PolarHBondContact O-N 2.85Å; L840-A843 PolarHBondContact O-N 3.39Å; L840-L844 HydrophobicContact CD1-CD1 3.94Å; L840-L844 HydrophobicContact CD1-CD2 4.29Å; L840-L844 HydrophobicContact CD1-CG 3.84Å; L840-L844 HydrophobicContact CD2-CD1 4.43Å; L840-L844 HydrophobicContact CG-CD1 3.84Å; L840-L844 HydrophobicContact CG-CG 4.19Å; L840-L844 WeakPolarHBondContact O-CG 3.4Å; L840-L844 PolarHBondContact O-N 3.01Å; L840-L865 HydrophobicContact CB-CD2 4.22Å; L840-L865 HydrophobicContact CD2-CD2 3.64Å; L840-L865 HydrophobicContact CD2-CG 3.74Å; L840-W866 HydrophobicContact CD1-CH2 3.72Å; L840-W866 HydrophobicContact CD1-CZ2 3.61Å; L840-W866 HydrophobicContact CD1-CZ3 4.41Å; L840-W866 HydrophobicContact CD2-CD2 4.42Å; L840-W866 HydrophobicContact CD2-CZ2 4.36Å; L840-W866 HydrophobicContact CG-CZ2 4.47Å; L840-L869 HydrophobicContact CD1-CD2 4.34Å; L840-L869 HydrophobicContact CD2-CD2 4.3Å
841	N	92.9	Very high	87.4	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.6	-47.8	176.2	-173.2	17.6	0	0	0	112	C645 F697 Y698 P837 R838 T845	C645-N841 PolarHBondContact O-ND2 3.17Å; F697-N841 HydrophobicContact CD1-CB 4.26Å; F697-N841 HydrophobicContact CD2-CB 3.62Å; F697-N841 WeakPolarHBondContact CD2-OD1 3.4Å; F697-N841 HydrophobicContact CE1-CB 4.13Å; F697-N841 HydrophobicContact CE2-CB 3.48Å; F697-N841 VanDerWaalsContact CE2-CB 3.48Å; F697-N841 HydrophobicContact CG-CB 4.03Å; F697-N841 HydrophobicContact CZ-CB 3.75Å; Y698-N841 PolarHBondContact OH-ND2 3.24Å; P837-N841 PolarHBondContact O-N 3.01Å; R838-N841 PolarHBondContact O-N 3.5Å; N841-T845 WeakPolarHBondContact O-CB 3.37Å; N841-T845 VanDerWaalsContact O-CG2 3.26Å; N841-T845 WeakPolarHBondContact O-CG2 3.16Å; N841-T845 PolarHBondContact O-N 2.93Å; N841-T845 PolarHBondContact O-OG1 3.29Å
842	V	91.6	Very high	88.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-50.3	175.2	168.7	0	0	0	0	110.9	Q646 L647 V807 R838 R839 L840 L844 T845 R846	Q646-V842 HydrophobicContact CB-CG2 3.72Å; Q646-V842 HydrophobicContact CG-CG2 3.67Å; L647-V842 HydrophobicContact CG-CG2 4.03Å; V807-V842 HydrophobicContact CG1-CB 3.96Å; V807-V842 HydrophobicContact CG1-CG1 3.79Å; R838-V842 PolarHBondContact O-N 3.11Å; R839-V842 PolarHBondContact O-N 3.48Å; L840-V842 PolarHBondContact O-N 2.85Å; V842-L844 PolarHBondContact O-N 3.14Å; V842-T845 PolarHBondContact O-N 2.88Å; V842-T845 VanDerWaalsContact O-N 3.11Å; V842-T845 PolarHBondContact O-OG1 3.3Å; V842-R846 WeakPolarHBondContact O-CG 3.45Å; V842-R846 PolarHBondContact O-NE 3.1Å
843	A	92.3	Very high	90.3	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-46.5	-177.3	0	0	0	0	0	113.1	I774 V807 L820 R839 L840 T845	I774-A843 HydrophobicContact CD1-CB 4.47Å; V807-A843 HydrophobicContact CG1-CB 4.33Å; V807-A843 HydrophobicContact CG2-CB 4.33Å; L820-A843 HydrophobicContact CD1-CB 4.38Å; L820-A843 HydrophobicContact CD2-CB 4.24Å; R839-A843 WeakPolarHBondContact O-CB 3.4Å; R839-A843 PolarHBondContact O-N 2.63Å; L840-A843 PolarHBondContact O-N 3.39Å; A843-T845 PolarHBondContact O-N 2.85Å
844	L	95.2	Very high	91.9	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-21.1	179	-67.4	176	0	0	0	113.5	F692 P693 L840 V842 I853 L869	F692-L844 HydrophobicContact CD1-CD1 3.86Å; F692-L844 HydrophobicContact CE1-CD1 4.04Å; P693-L844 HydrophobicContact CG-CB 4.12Å; P693-L844 HydrophobicContact CG-CD1 4.41Å; L840-L844 HydrophobicContact CD1-CD1 3.94Å; L840-L844 HydrophobicContact CD1-CD2 4.29Å; L840-L844 HydrophobicContact CD1-CG 3.84Å; L840-L844 HydrophobicContact CD2-CD1 4.43Å; L840-L844 HydrophobicContact CG-CD1 3.84Å; L840-L844 HydrophobicContact CG-CG 4.19Å; L840-L844 WeakPolarHBondContact O-CG 3.4Å; L840-L844 PolarHBondContact O-N 3.01Å; V842-L844 PolarHBondContact O-N 3.14Å; L844-I853 HydrophobicContact CD2-CD1 3.81Å; L844-L869 HydrophobicContact CD1-CD1 4.05Å
845	T	94.9	Very high	93	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	19	-169.1	61.4	0	0	0	0	114.6	P475 R684 M685 P693 N841 V842 A843	P475-T845 VanDerWaalsContact CB-CB 3.48Å; P475-T845 HydrophobicContact CB-CG2 4.02Å; P475-T845 HydrophobicContact CG-CG2 3.9Å; P475-T845 VanDerWaalsContact CG-OG1 3.3Å; P475-T845 WeakPolarHBondContact CG-OG1 3.26Å; R684-T845 VanDerWaalsContact CD-O 3.31Å; R684-T845 WeakPolarHBondContact CD-O 3.22Å; R684-T845 PolarHBondContact NH1-O 2.92Å; M685-T845 HydrophobicContact CE-CG2 4.05Å; M685-T845 HydrophobicContact SD-CG2 3.85Å; P693-T845 HydrophobicContact CB-CG2 3.78Å; P693-T845 HydrophobicContact CG-CG2 3.75Å; N841-T845 WeakPolarHBondContact O-CB 3.37Å; N841-T845 VanDerWaalsContact O-CG2 3.26Å; N841-T845 WeakPolarHBondContact O-CG2 3.16Å; N841-T845 PolarHBondContact O-N 2.93Å; N841-T845 PolarHBondContact O-OG1 3.29Å; V842-T845 PolarHBondContact O-N 2.88Å; V842-T845 VanDerWaalsContact O-N 3.11Å; V842-T845 PolarHBondContact O-OG1 3.3Å; A843-T845 PolarHBondContact O-N 2.85Å
846	R	94.1	Very high	93.6	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.011	7%	0.069	C	C	.	.	S	Bend	trans	-88.9	-25.1	174.6	-60.6	-47.8	87.5	175.2	11.1	114.1	I774 F810 E814 K815 I818 V842	I774-R846 HydrophobicContact CD1-CB 4.15Å; I774-R846 HydrophobicContact CD1-CG 3.75Å; F810-R846 HydrophobicContact CB-CG 4.19Å; F810-R846 WeakPolarHBondContact O-CD 3.46Å; E814-R846 CarbonylContact C-O 3.55Å; E814-R846 VanDerWaalsContact CA-O 3.24Å; E814-R846 WeakPolarHBondContact CA-O 3.41Å; E814-R846 WeakPolarHBondContact CB-O 3.43Å; K815-R846 PolarHBondContact N-O 3.42Å; I818-R846 HydrophobicContact CD1-CB 3.82Å; I818-R846 HydrophobicContact CG1-CB 3.84Å; V842-R846 WeakPolarHBondContact O-CG 3.45Å; V842-R846 PolarHBondContact O-NE 3.1Å
847	A	96.7	Very high	94.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	161.8	-177.9	0	0	0	0	0	113.1	R684 M685 L689 K815 I818 G850 V851	R684-A847 WeakPolarHBondContact CG-O 3.45Å; M685-A847 WeakPolarHBondContact CG-O 3.36Å; L689-A847 HydrophobicContact CD1-CB 4.44Å; K815-A847 CarbonylContact O-C 3.57Å; K815-A847 WeakPolarHBondContact O-CA 3.49Å; I818-A847 HydrophobicContact CB-CB 4.03Å; I818-A847 HydrophobicContact CG1-CB 3.75Å; A847-G850 VanDerWaalsContact CB-O 3.24Å; A847-G850 WeakPolarHBondContact CB-O 3.24Å; A847-V851 HydrophobicContact CB-CG2 3.42Å; A847-V851 VanDerWaalsContact CB-CG2 3.42Å
848	K	96.7	Very high	94.2	Very high	48 Å²	48	16.7 Å²	16.7	21%	0.209	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-49.1	171.9	-63.6	154.1	74.8	145.1	0	111.1	R684 H686 E814 K815 D816	R684-K848 HydrophobicContact CG-CG 3.77Å; R684-K848 WeakPolarHBondContact O-CA 3.38Å; R684-K848 WeakPolarHBondContact O-CB 3.42Å; H686-K848 PolarHBondContact N-O 2.94Å; E814-K848 HydrophobicContact CB-CD 4.38Å; E814-K848 HydrophobicContact CG-CD 4.2Å; E814-K848 VanDerWaalsContact OE1-CD 3.31Å; E814-K848 WeakPolarHBondContact OE1-CD 3.29Å; E814-K848 WeakPolarHBondContact OE1-CE 3.32Å; E814-K848 IonicContact OE1-NZ 2.71Å; E814-K848 PolarHBondContact OE1-NZ 3.02Å; K815-K848 WeakPolarHBondContact O-CD 3.21Å; K815-K848 WeakPolarHBondContact O-CG 3.37Å; K815-K848 PolarHBondContact O-N 3.43Å; D816-K848 PolarHBondContact O-N 2.86Å; D816-K848 WeakPolarHBondContact OD1-CD 3.46Å
849	Y	97.3	Very high	94.3	Very high	46 Å²	46	14 Å²	14	18%	0.18	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-40.9	-175.7	-65.9	-94.9	0	0	0	112.4	R711 K713 P726 D816	R711-Y849 VanDerWaalsContact O-CD1 3.25Å; R711-Y849 WeakPolarHBondContact O-CD1 3.36Å; K713-Y849 HydrophobicContact CB-CD1 3.79Å; K713-Y849 HydrophobicContact CB-CE1 4.06Å; K713-Y849 HydrophobicContact CB-CG 4.39Å; K713-Y849 HydrophobicContact CD-CD1 4.36Å; K713-Y849 HydrophobicContact CD-CE1 4.18Å; K713-Y849 HydrophobicContact CD-CE2 4.33Å; P726-Y849 WeakPolarHBondContact CB-O 3.29Å; P726-Y849 WeakPolarHBondContact CG-O 3.29Å; D816-Y849 HydrophobicContact CB-CD2 3.54Å; D816-Y849 HydrophobicContact CB-CE2 4.14Å; D816-Y849 HydrophobicContact CB-CG 4.45Å; D816-Y849 VanDerWaalsContact CG-CD2 3.42Å; D816-Y849 VanDerWaalsContact CG-CE2 3.46Å; D816-Y849 WeakPolarHBondContact O-CA 3.31Å; D816-Y849 PolarHBondContact O-N 2.88Å; D816-Y849 WeakPolarHBondContact OD1-CD2 3.27Å; D816-Y849 VanDerWaalsContact OD1-CE2 3.28Å; D816-Y849 WeakPolarHBondContact OD1-CE2 3.47Å
850	G	97.6	Very high	94.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.01	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	157.6	177.6	0	0	0	0	0	118.1	P726 D816 F817 I818 A847	P726-G850 CarbonylContact O-C 3.51Å; P726-G850 WeakPolarHBondContact O-CA 2.97Å; D816-G850 PolarHBondContact O-N 3.42Å; D816-G850 VanDerWaalsContact O-N 3.16Å; F817-G850 WeakPolarHBondContact CA-O 3.4Å; I818-G850 PolarHBondContact N-O 2.78Å; A847-G850 VanDerWaalsContact CB-O 3.24Å; A847-G850 WeakPolarHBondContact CB-O 3.24Å
851	V	98.4	Very high	94.4	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.018	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.4	-176	177.6	0	0	0	0	110.9	L689 P726 M727 F728 I818 A847 I853	L689-V851 HydrophobicContact CD1-CG2 4.28Å; L689-V851 HydrophobicContact CD2-CB 4.09Å; L689-V851 HydrophobicContact CD2-CG2 3.9Å; P726-V851 PolarHBondContact O-N 3.19Å; P726-V851 VanDerWaalsContact O-N 3.08Å; M727-V851 WeakPolarHBondContact CA-O 3.25Å; M727-V851 WeakPolarHBondContact CB-O 3.45Å; F728-V851 PolarHBondContact N-O 3.29Å; I818-V851 WeakPolarHBondContact O-CA 3.27Å; A847-V851 HydrophobicContact CB-CG2 3.42Å; A847-V851 VanDerWaalsContact CB-CG2 3.42Å; V851-I853 HydrophobicContact CG1-CG1 4.1Å
852	I	98.6	Very high	94.1	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.8	177	-56	174	0	0	0	108.6	F718 W720 F728 I757 I818 I819 L820 V854	F718-I852 HydrophobicContact CZ-CD1 4.06Å; W720-I852 HydrophobicContact CH2-CD1 4.14Å; W720-I852 HydrophobicContact CH2-CG1 4.1Å; W720-I852 HydrophobicContact CZ3-CD1 4.05Å; W720-I852 HydrophobicContact CZ3-CG1 3.78Å; F728-I852 HydrophobicContact CD1-CG1 4.06Å; F728-I852 HydrophobicContact CD1-CG2 4.43Å; F728-I852 HydrophobicContact CD2-CG2 4.16Å; F728-I852 HydrophobicContact CE1-CB 4.4Å; F728-I852 HydrophobicContact CE1-CD1 3.59Å; F728-I852 HydrophobicContact CE1-CG1 3.59Å; F728-I852 HydrophobicContact CE1-CG2 3.98Å; F728-I852 HydrophobicContact CE2-CG2 3.69Å; F728-I852 HydrophobicContact CZ-CB 4.45Å; F728-I852 HydrophobicContact CZ-CD1 3.84Å; F728-I852 HydrophobicContact CZ-CG1 4.02Å; F728-I852 HydrophobicContact CZ-CG2 3.59Å; I757-I852 HydrophobicContact CD1-CG2 3.83Å; I757-I852 HydrophobicContact CG2-CB 4.47Å; I757-I852 HydrophobicContact CG2-CD1 3.49Å; I757-I852 VanDerWaalsContact CG2-CD1 3.49Å; I757-I852 HydrophobicContact CG2-CG2 4.27Å; I818-I852 PolarHBondContact O-N 2.98Å; I819-I852 CarbonylContact C-O 3.59Å; I819-I852 VanDerWaalsContact CA-O 3.28Å; I819-I852 WeakPolarHBondContact CA-O 3.46Å; L820-I852 PolarHBondContact N-O 2.93Å; I852-V854 HydrophobicContact CG2-CG2 4.45Å
853	I	98.3	Very high	93.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.4	178.8	-51.5	175.6	0	0	0	108.1	F728 F729 Y730 L820 L844 V851 W866 L869 Y873	F728-I853 PolarHBondContact O-N 2.95Å; F729-I853 CarbonylContact C-O 3.53Å; F729-I853 WeakPolarHBondContact CA-O 3.27Å; F729-I853 HydrophobicContact CD2-CB 3.76Å; F729-I853 HydrophobicContact CD2-CD1 4.3Å; F729-I853 HydrophobicContact CD2-CG2 3.57Å; F729-I853 HydrophobicContact CE2-CB 4.2Å; F729-I853 HydrophobicContact CE2-CG2 3.47Å; F729-I853 VanDerWaalsContact CE2-CG2 3.47Å; F729-I853 HydrophobicContact CG-CB 4.33Å; F729-I853 HydrophobicContact CG-CG2 4.47Å; F729-I853 HydrophobicContact CZ-CG2 4.31Å; Y730-I853 PolarHBondContact N-O 3.03Å; L820-I853 HydrophobicContact CB-CG1 4.47Å; L820-I853 HydrophobicContact CB-CG2 4.46Å; L820-I853 HydrophobicContact CD2-CG1 4.43Å; L820-I853 HydrophobicContact CD2-CG2 4.21Å; L820-I853 HydrophobicContact CG-CG2 4.4Å; L844-I853 HydrophobicContact CD2-CD1 3.81Å; V851-I853 HydrophobicContact CG1-CG1 4.1Å; I853-W866 HydrophobicContact CG2-CZ3 4.47Å; I853-L869 HydrophobicContact CD1-CD2 4.04Å; I853-Y873 HydrophobicContact CD1-CE1 4.28Å; I853-Y873 HydrophobicContact CD1-CE2 4.45Å
854	V	98	Very high	93.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.5	178.7	-171.8	0	0	0	0	107.4	Y730 T732 E750 N753 V754 I757 I819 L820 C822 I852	Y730-V854 HydrophobicContact CD1-CG1 4.3Å; Y730-V854 HydrophobicContact CD1-CG2 4.43Å; T732-V854 WeakPolarHBondContact OG1-CG1 3.48Å; E750-V854 HydrophobicContact CB-CG1 4.1Å; E750-V854 HydrophobicContact CG-CG1 4.02Å; N753-V854 HydrophobicContact CB-CG1 4.11Å; V754-V854 HydrophobicContact CG2-CB 4.16Å; V754-V854 HydrophobicContact CG2-CG1 4.37Å; V754-V854 HydrophobicContact CG2-CG2 3.9Å; I757-V854 HydrophobicContact CD1-CG2 3.45Å; I757-V854 VanDerWaalsContact CD1-CG2 3.45Å; I819-V854 HydrophobicContact CG2-CG2 4.05Å; L820-V854 PolarHBondContact O-N 2.92Å; C822-V854 PolarHBondContact N-O 3.33Å; I852-V854 HydrophobicContact CG2-CG2 4.45Å
855	G	95.3	Very high	93.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	173.2	-175.3	0	0	0	0	0	115.1	F729 Y730 T732 E750 P857	F729-G855 WeakPolarHBondContact CE1-O 3.41Å; Y730-G855 PolarHBondContact O-N 2.96Å; T732-G855 PolarHBondContact N-O 2.86Å; T732-G855 CarbonylContact O-C 3.6Å; E750-G855 WeakPolarHBondContact OE1-CA 3.46Å; G855-P857 WeakPolarHBondContact O-CD 3.24Å
856	N	93.7	Very high	93.3	Very high	15 Å²	15	23.3 Å²	23.3	8%	0.08	11%	0.113	C	C	.	.			trans	-97.2	109	175.5	-174.8	-17.2	0	0	0	111.3	T732 A825 K858 A859 L860	T732-N856 WeakPolarHBondContact O-CA 3.49Å; T732-N856 WeakPolarHBondContact O-CB 3.46Å; A825-N856 HydrophobicContact CB-CB 3.89Å; A825-N856 WeakPolarHBondContact CB-ND2 3.39Å; N856-K858 VanDerWaalsContact C-N 3.27Å; N856-K858 PolarHBondContact O-N 3.09Å; N856-K858 WeakPolarHBondContact OD1-CB 3.38Å; N856-K858 PolarHBondContact OD1-N 3.46Å; N856-A859 PolarHBondContact O-N 3.09Å; N856-L860 WeakPolarHBondContact O-CG 3.43Å; N856-L860 PolarHBondContact O-N 3.05Å
857	P	92.7	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-31	-179.1	-22.9	33.3	0	0	0	114.1	F729 V731 G855 A859 L860 S861 L870 M892 F894	F729-P857 HydrophobicContact CD1-CG 4.43Å; F729-P857 HydrophobicContact CE1-CG 3.76Å; F729-P857 HydrophobicContact CZ-CG 4.37Å; V731-P857 HydrophobicContact CB-CG 4.33Å; V731-P857 HydrophobicContact CG1-CG 3.98Å; V731-P857 HydrophobicContact CG2-CG 3.79Å; G855-P857 WeakPolarHBondContact O-CD 3.24Å; P857-A859 VanDerWaalsContact C-N 3.3Å; P857-A859 PolarHBondContact O-N 2.91Å; P857-L860 PolarHBondContact O-N 3.17Å; P857-S861 VanDerWaalsContact O-CB 3.25Å; P857-S861 WeakPolarHBondContact O-CB 3.49Å; P857-S861 PolarHBondContact O-N 2.88Å; P857-S861 PolarHBondContact O-OG 2.75Å; P857-S861 VanDerWaalsContact O-OG 3.13Å; P857-L870 HydrophobicContact CB-CD1 3.96Å; P857-L870 HydrophobicContact CB-CD2 3.95Å; P857-L870 HydrophobicContact CG-CD2 4.22Å; P857-M892 HydrophobicContact CB-CE 3.84Å; P857-M892 HydrophobicContact CB-SD 4.16Å; P857-M892 HydrophobicContact CG-CE 4.31Å; P857-M892 HydrophobicContact CG-SD 3.99Å; P857-F894 HydrophobicContact CB-CE1 3.62Å; P857-F894 HydrophobicContact CB-CZ 3.8Å
858	K	89.4	Confident	93.1	Very high	104 Å²	104	24.5 Å²	24.5	45%	0.452	12%	0.12	S	C	.	.	H	α-helix	trans	-62.1	-36.3	-178	-64.1	-170.7	178.9	-179.3	0	112.5	N856 K862 M892	N856-K858 VanDerWaalsContact C-N 3.27Å; N856-K858 PolarHBondContact O-N 3.09Å; N856-K858 WeakPolarHBondContact OD1-CB 3.38Å; N856-K858 PolarHBondContact OD1-N 3.46Å; K858-K862 VanDerWaalsContact O-CE 3.25Å; K858-K862 WeakPolarHBondContact O-CE 3.31Å; K858-M892 HydrophobicContact CG-CE 3.54Å
859	A	88.4	Confident	93	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-78.9	-41.6	178.4	0	0	0	0	0	111.3	R824 N856 P857	R824-A859 WeakPolarHBondContact O-CB 3.5Å; N856-A859 PolarHBondContact O-N 3.09Å; P857-A859 VanDerWaalsContact C-N 3.3Å; P857-A859 PolarHBondContact O-N 2.91Å
860	L	90.6	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72.8	-39	-175.5	-62.8	167.7	0	0	0	112.8	F729 C822 I831 L834 N856 P857 K862 Q863 W866 L870	F729-L860 HydrophobicContact CE2-CD1 3.99Å; F729-L860 HydrophobicContact CZ-CD1 3.7Å; C822-L860 HydrophobicContact CB-CD1 4.01Å; C822-L860 HydrophobicContact CB-CD2 4.33Å; I831-L860 HydrophobicContact CD1-CD2 4.01Å; I831-L860 HydrophobicContact CG2-CD2 4.36Å; L834-L860 HydrophobicContact CD1-CD2 3.91Å; N856-L860 WeakPolarHBondContact O-CG 3.43Å; N856-L860 PolarHBondContact O-N 3.05Å; P857-L860 PolarHBondContact O-N 3.17Å; L860-K862 PolarHBondContact O-N 2.86Å; L860-Q863 PolarHBondContact O-N 2.81Å; L860-W866 HydrophobicContact CB-CB 4.11Å; L860-W866 HydrophobicContact CB-CD2 4.32Å; L860-W866 HydrophobicContact CB-CE3 4.17Å; L860-W866 HydrophobicContact CB-CG 4.32Å; L860-W866 HydrophobicContact CD1-CE3 3.96Å; L860-W866 HydrophobicContact CD1-CZ3 4.04Å; L860-W866 HydrophobicContact CD2-CD2 3.9Å; L860-W866 HydrophobicContact CD2-CE3 3.99Å; L860-W866 HydrophobicContact CD2-CG 4.35Å; L860-W866 HydrophobicContact CD2-CZ2 4.47Å; L860-W866 HydrophobicContact CD2-CZ3 4.31Å; L860-W866 HydrophobicContact CG-CE3 4.26Å; L860-W866 WeakPolarHBondContact O-CB 3.42Å; L860-L870 HydrophobicContact CB-CD1 4.18Å
861	S	90.4	Very high	92.8	Very high	25 Å²	25	21 Å²	21	18%	0.175	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-6	-175.5	69.1	0	0	0	0	115.1	P857 N867	P857-S861 VanDerWaalsContact O-CB 3.25Å; P857-S861 WeakPolarHBondContact O-CB 3.49Å; P857-S861 PolarHBondContact O-N 2.88Å; P857-S861 PolarHBondContact O-OG 2.75Å; P857-S861 VanDerWaalsContact O-OG 3.13Å; S861-N867 WeakPolarHBondContact O-CB 3.48Å; S861-N867 PolarHBondContact O-ND2 3.32Å
862	K	86.4	Confident	92.7	Very high	97 Å²	97	22.5 Å²	22.5	42%	0.422	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-27.9	172.6	-57.4	175.1	-162.5	168	0	112.4	N826 E827 K858 L860	N826-K862 PolarHBondContact O-NZ 2.84Å; E827-K862 PolarHBondContact O-NZ 2.91Å; K858-K862 VanDerWaalsContact O-CE 3.25Å; K858-K862 WeakPolarHBondContact O-CE 3.31Å; L860-K862 PolarHBondContact O-N 2.86Å
863	Q	85.6	Confident	92.6	Very high	61 Å²	61	22.8 Å²	22.8	29%	0.285	11%	0.113	S	C	.	.	S	Bend	trans	-87.8	127.6	174.6	-78.1	-60.5	-15.3	0	0	110.5	I831 N835 L860 L865 W866 N867	I831-Q863 HydrophobicContact CD1-CB 4.06Å; I831-Q863 HydrophobicContact CD1-CG 3.62Å; I831-Q863 HydrophobicContact CG1-CG 3.8Å; N835-Q863 WeakPolarHBondContact OD1-CG 3.41Å; N835-Q863 PolarHBondContact OD1-NE2 3.26Å; L860-Q863 PolarHBondContact O-N 2.81Å; Q863-L865 VanDerWaalsContact C-N 3.27Å; Q863-L865 PolarHBondContact O-N 3.17Å; Q863-L865 VanDerWaalsContact O-N 3.15Å; Q863-W866 HydrophobicContact CB-CB 4.29Å; Q863-W866 PolarHBondContact O-N 3.05Å; Q863-W866 VanDerWaalsContact O-N 3.08Å; Q863-N867 WeakPolarHBondContact O-CB 3.48Å; Q863-N867 PolarHBondContact O-N 2.77Å
864	P	88.8	Confident	92.5	Very high	62 Å²	62	26.1 Å²	26.1	40%	0.403	13%	0.127	S	C	.	.	H	α-helix	trans	-54.3	-37.9	-175.5	-30.5	37.1	0	0	0	114.6	N867 N868 L900	P864-N867 WeakPolarHBondContact O-CB 3.4Å; P864-N868 VanDerWaalsContact O-CG 3.22Å; P864-N868 PolarHBondContact O-N 3.43Å; P864-N868 PolarHBondContact O-OD1 3.33Å; P864-N868 VanDerWaalsContact O-OD1 3.08Å; P864-L900 HydrophobicContact CB-CD2 3.84Å
865	L	90.2	Very high	92.4	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.089	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-44.4	178	-179.3	66.3	0	0	0	112.8	F692 I696 F697 P837 L840 Q863 N868 L869 L900	F692-L865 HydrophobicContact CZ-CD1 4.48Å; I696-L865 HydrophobicContact CG2-CD1 3.64Å; F697-L865 HydrophobicContact CE1-CD1 4.2Å; F697-L865 HydrophobicContact CE1-CD2 4.44Å; F697-L865 HydrophobicContact CZ-CD1 4.13Å; F697-L865 HydrophobicContact CZ-CD2 4.38Å; P837-L865 HydrophobicContact CB-CD2 3.56Å; P837-L865 HydrophobicContact CG-CD2 3.94Å; L840-L865 HydrophobicContact CB-CD2 4.22Å; L840-L865 HydrophobicContact CD2-CD2 3.64Å; L840-L865 HydrophobicContact CD2-CG 3.74Å; Q863-L865 VanDerWaalsContact C-N 3.27Å; Q863-L865 PolarHBondContact O-N 3.17Å; Q863-L865 VanDerWaalsContact O-N 3.15Å; L865-N868 PolarHBondContact O-N 3.31Å; L865-L869 PolarHBondContact O-N 3.07Å; L865-L900 HydrophobicContact CD1-CD1 4.14Å
866	W	92.5	Very high	92.4	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.015	17%	0.169	C	C	.	.	H	α-helix	trans	-72.3	-33.7	178	-80.2	96.1	0	0	0	112.1	F729 L820 I831 L834 L840 I853 L860 Q863 L869 L870	F729-W866 HydrophobicContact CE2-CZ3 4.35Å; L820-W866 HydrophobicContact CD2-CH2 4.2Å; I831-W866 VanDerWaalsContact CD1-CD1 3.47Å; I831-W866 HydrophobicContact CD1-CG 4.18Å; L834-W866 HydrophobicContact CD2-CZ2 3.87Å; L834-W866 PolarHBondContact O-NE1 3.46Å; L840-W866 HydrophobicContact CD1-CH2 3.72Å; L840-W866 HydrophobicContact CD1-CZ2 3.61Å; L840-W866 HydrophobicContact CD1-CZ3 4.41Å; L840-W866 HydrophobicContact CD2-CD2 4.42Å; L840-W866 HydrophobicContact CD2-CZ2 4.36Å; L840-W866 HydrophobicContact CG-CZ2 4.47Å; I853-W866 HydrophobicContact CG2-CZ3 4.47Å; L860-W866 HydrophobicContact CB-CB 4.11Å; L860-W866 HydrophobicContact CB-CD2 4.32Å; L860-W866 HydrophobicContact CB-CE3 4.17Å; L860-W866 HydrophobicContact CB-CG 4.32Å; L860-W866 HydrophobicContact CD1-CE3 3.96Å; L860-W866 HydrophobicContact CD1-CZ3 4.04Å; L860-W866 HydrophobicContact CD2-CD2 3.9Å; L860-W866 HydrophobicContact CD2-CE3 3.99Å; L860-W866 HydrophobicContact CD2-CG 4.35Å; L860-W866 HydrophobicContact CD2-CZ2 4.47Å; L860-W866 HydrophobicContact CD2-CZ3 4.31Å; L860-W866 HydrophobicContact CG-CE3 4.26Å; L860-W866 WeakPolarHBondContact O-CB 3.42Å; Q863-W866 HydrophobicContact CB-CB 4.29Å; Q863-W866 PolarHBondContact O-N 3.05Å; Q863-W866 VanDerWaalsContact O-N 3.08Å; W866-L869 HydrophobicContact CE3-CD2 3.76Å; W866-L869 HydrophobicContact CZ3-CD2 3.72Å; W866-L869 PolarHBondContact O-N 2.85Å; W866-L870 WeakPolarHBondContact O-CB 3.46Å; W866-L870 VanDerWaalsContact O-CG 3.28Å; W866-L870 WeakPolarHBondContact O-CG 3.47Å; W866-L870 PolarHBondContact O-N 3.41Å
867	N	92.9	Very high	92.6	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-47.1	169.6	-172.4	-72.3	0	0	0	111.2	S861 Q863 P864 L869 L870 N871 S895	S861-N867 WeakPolarHBondContact O-CB 3.48Å; S861-N867 PolarHBondContact O-ND2 3.32Å; Q863-N867 WeakPolarHBondContact O-CB 3.48Å; Q863-N867 PolarHBondContact O-N 2.77Å; P864-N867 WeakPolarHBondContact O-CB 3.4Å; N867-L869 PolarHBondContact O-N 3.09Å; N867-L870 PolarHBondContact O-N 2.9Å; N867-N871 WeakPolarHBondContact O-CB 3.2Å; N867-N871 PolarHBondContact O-N 3.38Å; N867-N871 PolarHBondContact O-ND2 2.85Å; N867-N871 VanDerWaalsContact O-ND2 3.11Å; N867-N871 PolarHBondContact OD1-ND2 3.23Å; N867-S895 PolarHBondContact ND2-OG 2.87Å; N867-S895 PolarHBondContact OD1-O 3.09Å
868	N	93.3	Very high	92.8	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.118	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-36.7	176.8	-68	14.5	0	0	0	111.9	P864 L865 Y872 P897 L900	P864-N868 VanDerWaalsContact O-CG 3.22Å; P864-N868 PolarHBondContact O-N 3.43Å; P864-N868 PolarHBondContact O-OD1 3.33Å; P864-N868 VanDerWaalsContact O-OD1 3.08Å; L865-N868 PolarHBondContact O-N 3.31Å; N868-Y872 WeakPolarHBondContact O-CB 3.45Å; N868-Y872 PolarHBondContact O-N 3.26Å; N868-P897 WeakPolarHBondContact OD1-CA 3.48Å; N868-P897 WeakPolarHBondContact OD1-CB 3.21Å; N868-L900 WeakPolarHBondContact ND2-CD1 3.36Å
869	L	95.3	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-46.5	173.2	-175.6	72.1	0	0	0	112.1	F692 L840 L844 I853 L865 W866 N867 Y872 Y873	F692-L869 HydrophobicContact CD1-CD1 3.67Å; F692-L869 HydrophobicContact CD2-CD1 4.1Å; F692-L869 HydrophobicContact CE1-CB 4.28Å; F692-L869 HydrophobicContact CE1-CD1 3.57Å; F692-L869 HydrophobicContact CE1-CG 4.5Å; F692-L869 VanDerWaalsContact CE2-CA 3.49Å; F692-L869 HydrophobicContact CE2-CB 4.06Å; F692-L869 HydrophobicContact CE2-CD1 4Å; F692-L869 HydrophobicContact CG-CD1 3.94Å; F692-L869 HydrophobicContact CZ-CB 3.69Å; F692-L869 HydrophobicContact CZ-CD1 3.73Å; F692-L869 HydrophobicContact CZ-CG 4.33Å; L840-L869 HydrophobicContact CD1-CD2 4.34Å; L840-L869 HydrophobicContact CD2-CD2 4.3Å; L844-L869 HydrophobicContact CD1-CD1 4.05Å; I853-L869 HydrophobicContact CD1-CD2 4.04Å; L865-L869 PolarHBondContact O-N 3.07Å; W866-L869 HydrophobicContact CE3-CD2 3.76Å; W866-L869 HydrophobicContact CZ3-CD2 3.72Å; W866-L869 PolarHBondContact O-N 2.85Å; N867-L869 PolarHBondContact O-N 3.09Å; L869-Y872 PolarHBondContact O-N 3.42Å; L869-Y873 HydrophobicContact CD1-CD2 3.86Å; L869-Y873 HydrophobicContact CD1-CE2 3.56Å; L869-Y873 HydrophobicContact CG-CD2 4.12Å; L869-Y873 HydrophobicContact CG-CE2 4.18Å; L869-Y873 WeakPolarHBondContact O-CD2 3.41Å; L869-Y873 PolarHBondContact O-N 3.29Å
870	L	95.8	Very high	93.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-41.7	179.7	-74.3	166.6	0	0	0	111.9	F729 P857 L860 W866 N867 Y873 K874 L879 F894	F729-L870 HydrophobicContact CD1-CD2 4.21Å; F729-L870 HydrophobicContact CD2-CD2 3.86Å; F729-L870 HydrophobicContact CE1-CD2 4.15Å; F729-L870 HydrophobicContact CE2-CD2 3.78Å; F729-L870 HydrophobicContact CG-CD2 4.1Å; F729-L870 HydrophobicContact CZ-CD2 3.95Å; P857-L870 HydrophobicContact CB-CD1 3.96Å; P857-L870 HydrophobicContact CB-CD2 3.95Å; P857-L870 HydrophobicContact CG-CD2 4.22Å; L860-L870 HydrophobicContact CB-CD1 4.18Å; W866-L870 WeakPolarHBondContact O-CB 3.46Å; W866-L870 VanDerWaalsContact O-CG 3.28Å; W866-L870 WeakPolarHBondContact O-CG 3.47Å; W866-L870 PolarHBondContact O-N 3.41Å; N867-L870 PolarHBondContact O-N 2.9Å; L870-Y873 PolarHBondContact O-N 2.85Å; L870-K874 WeakPolarHBondContact O-CB 3.3Å; L870-K874 PolarHBondContact O-N 3.34Å; L870-L879 HydrophobicContact CD2-CD1 4.13Å; L870-F894 HydrophobicContact CB-CD2 4.24Å; L870-F894 HydrophobicContact CB-CE2 3.96Å; L870-F894 HydrophobicContact CB-CZ 4.14Å; L870-F894 HydrophobicContact CD1-CE1 4.18Å; L870-F894 HydrophobicContact CD1-CZ 4.37Å; L870-F894 HydrophobicContact CD2-CZ 4.4Å
871	N	95	Very high	93.9	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-46.1	173.4	-80.3	-54	0	0	0	111.3	N867 Y873 K874 E875 S895	N867-N871 WeakPolarHBondContact O-CB 3.2Å; N867-N871 PolarHBondContact O-N 3.38Å; N867-N871 PolarHBondContact O-ND2 2.85Å; N867-N871 VanDerWaalsContact O-ND2 3.11Å; N867-N871 PolarHBondContact OD1-ND2 3.23Å; N871-Y873 PolarHBondContact O-N 2.92Å; N871-K874 PolarHBondContact O-N 2.91Å; N871-K874 VanDerWaalsContact O-N 3.13Å; N871-E875 WeakPolarHBondContact O-CG 3.3Å; N871-E875 PolarHBondContact O-N 2.65Å; N871-S895 PolarHBondContact ND2-O 3.28Å
872	Y	95.9	Very high	94.1	Very high	33 Å²	33	36.5 Å²	36.5	13%	0.129	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-46.3	174.6	173.9	-103.2	0	0	0	112.6	A688 A691 F692 M727 N868 L869 K874 E875 Q876	A688-Y872 PolarHBondContact O-OH 3.48Å; A691-Y872 WeakPolarHBondContact CB-OH 3.45Å; F692-Y872 HydrophobicContact CB-CD1 3.83Å; F692-Y872 HydrophobicContact CB-CE1 3.7Å; F692-Y872 HydrophobicContact CB-CG 4.42Å; F692-Y872 AromaticContact CD2-CD1 3.82Å; F692-Y872 HydrophobicContact CD2-CD1 3.82Å; F692-Y872 AromaticContact CD2-CG 3.82Å; F692-Y872 HydrophobicContact CD2-CG 3.82Å; F692-Y872 HydrophobicContact CG-CD1 4.17Å; M727-Y872 HydrophobicContact CE-CE1 3.9Å; N868-Y872 WeakPolarHBondContact O-CB 3.45Å; N868-Y872 PolarHBondContact O-N 3.26Å; L869-Y872 PolarHBondContact O-N 3.42Å; Y872-K874 VanDerWaalsContact C-N 3.27Å; Y872-K874 PolarHBondContact O-N 3.15Å; Y872-E875 PolarHBondContact O-N 3.01Å; Y872-Q876 HydrophobicContact CD2-CG 4.08Å; Y872-Q876 HydrophobicContact CE1-CG 4.16Å; Y872-Q876 HydrophobicContact CE2-CG 3.71Å; Y872-Q876 HydrophobicContact CG-CG 4.48Å; Y872-Q876 WeakPolarHBondContact O-CB 3.34Å; Y872-Q876 VanDerWaalsContact O-CG 3.28Å; Y872-Q876 WeakPolarHBondContact O-CG 3.36Å; Y872-Q876 PolarHBondContact O-N 3.03Å
873	Y	97.2	Very high	94.4	Very high	8 Å²	8	35.2 Å²	35.2	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-32	177.1	-89.2	-114.7	0	0	0	112.3	M727 F729 I853 L869 L870 N871 K877 V878 L879	M727-Y873 HydrophobicContact CB-CE1 4.24Å; M727-Y873 HydrophobicContact CG-CE1 4.26Å; M727-Y873 HydrophobicContact SD-CE1 4.42Å; M727-Y873 HydrophobicContact SD-CE2 4.45Å; F729-Y873 HydrophobicContact CB-CD1 3.63Å; F729-Y873 HydrophobicContact CB-CE1 4.25Å; F729-Y873 HydrophobicContact CB-CG 4.21Å; I853-Y873 HydrophobicContact CD1-CE1 4.28Å; I853-Y873 HydrophobicContact CD1-CE2 4.45Å; L869-Y873 HydrophobicContact CD1-CD2 3.86Å; L869-Y873 HydrophobicContact CD1-CE2 3.56Å; L869-Y873 HydrophobicContact CG-CD2 4.12Å; L869-Y873 HydrophobicContact CG-CE2 4.18Å; L869-Y873 WeakPolarHBondContact O-CD2 3.41Å; L869-Y873 PolarHBondContact O-N 3.29Å; L870-Y873 PolarHBondContact O-N 2.85Å; N871-Y873 PolarHBondContact O-N 2.92Å; Y873-K877 PolarHBondContact O-N 3.47Å; Y873-V878 HydrophobicContact CD1-CB 4.49Å; Y873-V878 HydrophobicContact CD1-CG2 3.65Å; Y873-V878 HydrophobicContact CE1-CG2 4.29Å; Y873-V878 HydrophobicContact CG-CG2 4.04Å; Y873-V878 CarbonylContact O-C 3.5Å; Y873-V878 WeakPolarHBondContact O-CG2 3.5Å; Y873-V878 PolarHBondContact O-N 3.32Å; Y873-L879 PolarHBondContact O-N 3.18Å; Y873-L879 VanDerWaalsContact O-N 3.13Å
874	K	95.6	Very high	94.7	Very high	70 Å²	70	33.4 Å²	33.4	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-71.6	-48	174.1	-166.6	175.1	-174.8	177.9	0	112.3	L870 N871 Y872 Q876 K877 L879 M892 F894	L870-K874 WeakPolarHBondContact O-CB 3.3Å; L870-K874 PolarHBondContact O-N 3.34Å; N871-K874 PolarHBondContact O-N 2.91Å; N871-K874 VanDerWaalsContact O-N 3.13Å; Y872-K874 VanDerWaalsContact C-N 3.27Å; Y872-K874 PolarHBondContact O-N 3.15Å; K874-Q876 PolarHBondContact O-N 2.85Å; K874-K877 PolarHBondContact O-N 2.85Å; K874-L879 HydrophobicContact CB-CB 4.23Å; K874-L879 HydrophobicContact CB-CD2 3.93Å; K874-L879 HydrophobicContact CD-CD2 4.26Å; K874-L879 HydrophobicContact CG-CD2 4.17Å; K874-M892 PolarHBondContact NZ-O 2.87Å; K874-F894 HydrophobicContact CD-CE2 4.39Å
875	E	95.4	Very high	94.8	Very high	134 Å²	134	36.1 Å²	36.1	63%	0.626	18%	0.183	S	C	*	.	H	α-helix	trans	-56.9	-37.7	174.7	-72.5	166.8	-169.5	0	0	112	N871 Y872 K877	N871-E875 WeakPolarHBondContact O-CG 3.3Å; N871-E875 PolarHBondContact O-N 2.65Å; Y872-E875 PolarHBondContact O-N 3.01Å; E875-K877 PolarHBondContact O-N 2.83Å
876	Q	96.3	Very high	95	Very high	57 Å²	57	41.1 Å²	41.1	27%	0.266	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.1	177	-67.3	-53.6	-40.6	0	0	114.6	K725 Y872 K874 V878	K725-Q876 HydrophobicContact CD-CB 4.3Å; K725-Q876 PolarHBondContact NZ-O 3.14Å; Y872-Q876 HydrophobicContact CD2-CG 4.08Å; Y872-Q876 HydrophobicContact CE1-CG 4.16Å; Y872-Q876 HydrophobicContact CE2-CG 3.71Å; Y872-Q876 HydrophobicContact CG-CG 4.48Å; Y872-Q876 WeakPolarHBondContact O-CB 3.34Å; Y872-Q876 VanDerWaalsContact O-CG 3.28Å; Y872-Q876 WeakPolarHBondContact O-CG 3.36Å; Y872-Q876 PolarHBondContact O-N 3.03Å; K874-Q876 PolarHBondContact O-N 2.85Å; Q876-V878 HydrophobicContact CB-CG2 3.9Å
877	K	97.4	Very high	95.1	Very high	107 Å²	107	43 Å²	43	47%	0.465	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	34.5	-176.3	-58.9	-172	162.4	-147.6	0	115.2	Q722 Y873 K874 E875 E889	Q722-K877 HydrophobicContact CG-CB 4.12Å; Q722-K877 VanDerWaalsContact CG-O 3.3Å; Q722-K877 WeakPolarHBondContact CG-O 3.33Å; Q722-K877 VanDerWaalsContact NE2-CB 3.3Å; Q722-K877 PolarHBondContact NE2-O 3.33Å; Q722-K877 VanDerWaalsContact NE2-O 3.16Å; Y873-K877 PolarHBondContact O-N 3.47Å; K874-K877 PolarHBondContact O-N 2.85Å; E875-K877 PolarHBondContact O-N 2.83Å; K877-E889 WeakPolarHBondContact CD-OE1 3.35Å; K877-E889 IonicContact NZ-OE1 2.96Å
878	V	97.8	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.			trans	-125.1	17.2	-178.7	-64	0	0	0	0	113.1	Q722 K725 M727 F728 F729 Y873 Q876	Q722-V878 HydrophobicContact CB-CG1 3.91Å; Q722-V878 HydrophobicContact CG-CG1 3.58Å; K725-V878 HydrophobicContact CB-CG1 4.24Å; K725-V878 HydrophobicContact CD-CG1 4.35Å; M727-V878 HydrophobicContact CE-CG2 4.28Å; M727-V878 HydrophobicContact CG-CG2 4.38Å; M727-V878 WeakPolarHBondContact O-CB 3.21Å; M727-V878 WeakPolarHBondContact O-CG1 3.2Å; F728-V878 CarbonylContact C-O 3.5Å; F728-V878 VanDerWaalsContact CA-O 3.23Å; F728-V878 WeakPolarHBondContact CA-O 3.01Å; F728-V878 HydrophobicContact CB-CB 4.22Å; F728-V878 VanDerWaalsContact CB-O 3.29Å; F728-V878 WeakPolarHBondContact CB-O 3.44Å; F729-V878 PolarHBondContact N-O 2.94Å; Y873-V878 HydrophobicContact CD1-CB 4.49Å; Y873-V878 HydrophobicContact CD1-CG2 3.65Å; Y873-V878 HydrophobicContact CE1-CG2 4.29Å; Y873-V878 HydrophobicContact CG-CG2 4.04Å; Y873-V878 CarbonylContact O-C 3.5Å; Y873-V878 WeakPolarHBondContact O-CG2 3.5Å; Y873-V878 PolarHBondContact O-N 3.32Å; Q876-V878 HydrophobicContact CB-CG2 3.9Å
879	L	97.8	Very high	95.3	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	109.4	164.5	177.6	67.4	0	0	0	108.7	F729 V731 L870 Y873 K874 E889 S890 F894	F729-L879 HydrophobicContact CB-CD1 3.82Å; F729-L879 HydrophobicContact CD1-CD1 3.54Å; F729-L879 HydrophobicContact CE1-CD1 4.45Å; F729-L879 HydrophobicContact CG-CD1 3.86Å; V731-L879 HydrophobicContact CG2-CD1 3.59Å; V731-L879 HydrophobicContact CG2-CG 4.16Å; L870-L879 HydrophobicContact CD2-CD1 4.13Å; Y873-L879 PolarHBondContact O-N 3.18Å; Y873-L879 VanDerWaalsContact O-N 3.13Å; K874-L879 HydrophobicContact CB-CB 4.23Å; K874-L879 HydrophobicContact CB-CD2 3.93Å; K874-L879 HydrophobicContact CD-CD2 4.26Å; K874-L879 HydrophobicContact CG-CD2 4.17Å; L879-E889 WeakPolarHBondContact O-CA 3.45Å; L879-S890 PolarHBondContact O-N 2.8Å; L879-F894 HydrophobicContact CD2-CE2 3.53Å; L879-F894 HydrophobicContact CD2-CZ 3.77Å
880	V	97.7	Very high	95.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155	-165.3	-63.7	0	0	0	0	114.2	P721 F728 F729 Y730 V731 L887 R888	P721-V880 HydrophobicContact CB-CG1 3.87Å; P721-V880 HydrophobicContact CG-CG1 4.05Å; P721-V880 HydrophobicContact CG-CG2 4.13Å; F728-V880 HydrophobicContact CB-CG2 4.02Å; F728-V880 HydrophobicContact CD2-CG2 3.48Å; F728-V880 VanDerWaalsContact CD2-CG2 3.48Å; F728-V880 HydrophobicContact CE2-CG2 4.28Å; F728-V880 HydrophobicContact CG-CG2 4.08Å; F729-V880 PolarHBondContact O-N 2.81Å; Y730-V880 WeakPolarHBondContact CA-O 3.44Å; V731-V880 WeakPolarHBondContact CG2-O 3.41Å; V731-V880 PolarHBondContact N-O 2.98Å; V880-L887 HydrophobicContact CB-CB 4.41Å; V880-L887 HydrophobicContact CG2-CD1 4.3Å; V880-L887 HydrophobicContact CG2-CD2 4.24Å; V880-R888 CarbonylContact C-O 3.28Å; V880-R888 WeakPolarHBondContact CA-O 3.45Å; V880-R888 WeakPolarHBondContact CB-O 3.11Å
881	E	95.5	Very high	95.1	Very high	38 Å²	38	60.1 Å²	60.1	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-178.1	179.6	62.1	174.1	-114.5	0	0	110.6	V731 R888 S890	V731-E881 HydrophobicContact CB-CB 4.14Å; E881-R888 HydrophobicContact CG-CG 3.69Å; E881-R888 PolarHBondContact N-O 2.86Å; E881-R888 PolarHBondContact O-N 3.46Å; E881-R888 IonicContact OE1-CZ 2.66Å; E881-R888 IonicContact OE1-NE 2.68Å; E881-R888 PolarHBondContact OE1-NE 3.06Å; E881-R888 IonicContact OE1-NH2 3.67Å; E881-R888 PolarHBondContact OE1-NH2 3.13Å; E881-S890 WeakPolarHBondContact OE2-CA 3.48Å; E881-S890 VanDerWaalsContact OE2-CB 3.22Å; E881-S890 WeakPolarHBondContact OE2-CB 3.32Å; E881-S890 PolarHBondContact OE2-OG 3.08Å
882	G	93.4	Very high	94.8	Very high	23 Å²	23	60.7 Å²	60.7	24%	0.237	30%	0.3	C	S	.	.	S	Bend	trans	85.4	-174	-173.7	0	0	0	0	0	112.4	Y730	Y730-G882 VanDerWaalsContact CE2-O 3.25Å; Y730-G882 WeakPolarHBondContact CE2-O 3.44Å; Y730-G882 PolarHBondContact OH-O 2.8Å; Y730-G882 VanDerWaalsContact OH-O 3.08Å
883	P	93	Very high	94.2	Very high	69 Å²	69	67.6 Å²	67.6	45%	0.448	33%	0.333	S	S	.	.			trans	-78.4	149.9	-179.1	34.2	-36.4	0	0	0	111.7	N885 N886 L887	P883-N885 WeakPolarHBondContact CB-OD1 3.34Å; P883-N885 WeakPolarHBondContact CG-OD1 3.47Å; P883-N885 PolarHBondContact O-N 2.92Å; P883-N886 HydrophobicContact CG-CB 4.3Å; P883-N886 CarbonylContact O-C 3.49Å; P883-N886 PolarHBondContact O-N 3.16Å; P883-L887 PolarHBondContact O-N 3.05Å
884	L	91.4	Very high	93.7	Very high	23 Å²	23	68.9 Å²	68.9	12%	0.12	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.8	-176.3	-63.3	176.2	0	0	0	115.7	Y730 K756 I757 R760 L887	Y730-L884 HydrophobicContact CD1-CD2 4.23Å; Y730-L884 HydrophobicContact CD2-CD2 4.36Å; Y730-L884 HydrophobicContact CE1-CD2 3.75Å; Y730-L884 HydrophobicContact CE1-CG 4.36Å; Y730-L884 HydrophobicContact CE2-CD2 3.92Å; K756-L884 HydrophobicContact CB-CD1 3.6Å; I757-L884 HydrophobicContact CG1-CD1 3.78Å; I757-L884 HydrophobicContact CG1-CD2 3.95Å; R760-L884 PolarHBondContact NH1-O 2.85Å; R760-L884 VanDerWaalsContact NH1-O 3.14Å; R760-L884 PolarHBondContact NH2-O 2.83Å; L884-L887 HydrophobicContact CD2-CD2 4.39Å
885	N	91.5	Very high	93.1	Very high	119 Å²	119	69.3 Å²	69.3	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-9.1	174.4	66.8	-34	0	0	0	113.9	P883	P883-N885 WeakPolarHBondContact CB-OD1 3.34Å; P883-N885 WeakPolarHBondContact CG-OD1 3.47Å; P883-N885 PolarHBondContact O-N 2.92Å
886	N	93.8	Very high	92.2	Very high	122 Å²	122	72 Å²	72	65%	0.652	36%	0.361	S	S	*	.	S	Bend	trans	-152.2	67.6	177.8	-170.4	18.9	0	0	0	109.4	P883	P883-N886 HydrophobicContact CG-CB 4.3Å; P883-N886 CarbonylContact O-C 3.49Å; P883-N886 PolarHBondContact O-N 3.16Å
887	L	95.3	Very high	91.3	Very high	43 Å²	43	72.3 Å²	72.3	23%	0.225	37%	0.367	C	S	.	.			trans	-74.3	137.9	-179.6	-70.5	171.5	0	0	0	110.7	P721 F728 Y730 V880 P883 L884	P721-L887 HydrophobicContact CG-CD1 3.95Å; F728-L887 HydrophobicContact CE2-CD1 4.16Å; F728-L887 HydrophobicContact CZ-CD1 4.36Å; Y730-L887 HydrophobicContact CD2-CD2 3.89Å; Y730-L887 HydrophobicContact CE2-CD2 3.52Å; V880-L887 HydrophobicContact CB-CB 4.41Å; V880-L887 HydrophobicContact CG2-CD1 4.3Å; V880-L887 HydrophobicContact CG2-CD2 4.24Å; P883-L887 PolarHBondContact O-N 3.05Å; L884-L887 HydrophobicContact CD2-CD2 4.39Å
888	R	95.3	Very high	90	Very high	146 Å²	146	77.2 Å²	77.2	55%	0.551	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	152	176	65.2	-179.3	-178.8	-120.8	-0.7	110.9	V880 E881 S890	V880-R888 CarbonylContact C-O 3.28Å; V880-R888 WeakPolarHBondContact CA-O 3.45Å; V880-R888 WeakPolarHBondContact CB-O 3.11Å; E881-R888 HydrophobicContact CG-CG 3.69Å; E881-R888 PolarHBondContact N-O 2.86Å; E881-R888 PolarHBondContact O-N 3.46Å; E881-R888 IonicContact OE1-CZ 2.66Å; E881-R888 IonicContact OE1-NE 2.68Å; E881-R888 PolarHBondContact OE1-NE 3.06Å; E881-R888 IonicContact OE1-NH2 3.67Å; E881-R888 PolarHBondContact OE1-NH2 3.13Å; R888-S890 PolarHBondContact O-N 2.93Å
889	E	95.9	Very high	88.2	Confident	87 Å²	87	87.1 Å²	87.1	41%	0.407	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	135.3	171.2	-65.1	-172.9	-131.6	0	0	110.3	K877 L879	K877-E889 WeakPolarHBondContact CD-OE1 3.35Å; K877-E889 IonicContact NZ-OE1 2.96Å; L879-E889 WeakPolarHBondContact O-CA 3.45Å
890	S	94.3	Very high	86.3	Confident	4 Å²	4	90.6 Å²	90.6	3%	0.028	44%	0.444	C	S	.	.			trans	-82.2	128.8	179.6	-173.3	0	0	0	0	111.7	L879 E881 R888 M892	L879-S890 PolarHBondContact O-N 2.8Å; E881-S890 WeakPolarHBondContact OE2-CA 3.48Å; E881-S890 VanDerWaalsContact OE2-CB 3.22Å; E881-S890 WeakPolarHBondContact OE2-CB 3.32Å; E881-S890 PolarHBondContact OE2-OG 3.08Å; R888-S890 PolarHBondContact O-N 2.93Å; S890-M892 PolarHBondContact O-N 3.47Å
891	L	90.9	Very high	84.1	Confident	152 Å²	152	95 Å²	95	80%	0.796	47%	0.471	S	S	*	.			trans	-76	-7.3	-178.5	-59.1	-178.9	0	0	0	113.5	Q893	L891-Q893 PolarHBondContact O-N 2.92Å
892	M	88.6	Confident	82	Confident	35 Å²	35	95.7 Å²	95.7	17%	0.172	48%	0.476	C	S	.	.			trans	-48.7	130.8	-179.7	-75.7	-169.8	66.7	0	0	112.7	V731 P857 K858 K874 S890 F894	V731-M892 HydrophobicContact CG1-SD 3.9Å; P857-M892 HydrophobicContact CB-CE 3.84Å; P857-M892 HydrophobicContact CB-SD 4.16Å; P857-M892 HydrophobicContact CG-CE 4.31Å; P857-M892 HydrophobicContact CG-SD 3.99Å; K858-M892 HydrophobicContact CG-CE 3.54Å; K874-M892 PolarHBondContact NZ-O 2.87Å; S890-M892 PolarHBondContact O-N 3.47Å; M892-F894 HydrophobicContact CB-CE1 4.41Å; M892-F894 HydrophobicContact CB-CZ 4.14Å; M892-F894 HydrophobicContact CE-CE1 4.25Å
893	Q	84.7	Confident	79.9	Confident	177 Å²	177	100.1 Å²	100.1	83%	0.827	50%	0.498	S	S	*	.			trans	-96.7	149.3	176.8	-59.6	-173.5	10.9	0	0	110.8	L891	L891-Q893 PolarHBondContact O-N 2.92Å
894	F	85.6	Confident	77.9	Confident	35 Å²	35	99.4 Å²	99.4	15%	0.154	49%	0.49	C	S	.	.			trans	-127.7	159.5	175.9	-50.9	-62.8	0	0	0	109.5	P857 L870 K874 L879 M892	P857-F894 HydrophobicContact CB-CE1 3.62Å; P857-F894 HydrophobicContact CB-CZ 3.8Å; L870-F894 HydrophobicContact CB-CD2 4.24Å; L870-F894 HydrophobicContact CB-CE2 3.96Å; L870-F894 HydrophobicContact CB-CZ 4.14Å; L870-F894 HydrophobicContact CD1-CE1 4.18Å; L870-F894 HydrophobicContact CD1-CZ 4.37Å; L870-F894 HydrophobicContact CD2-CZ 4.4Å; K874-F894 HydrophobicContact CD-CE2 4.39Å; L879-F894 HydrophobicContact CD2-CE2 3.53Å; L879-F894 HydrophobicContact CD2-CZ 3.77Å; M892-F894 HydrophobicContact CB-CE1 4.41Å; M892-F894 HydrophobicContact CB-CZ 4.14Å; M892-F894 HydrophobicContact CE-CE1 4.25Å
895	S	83.2	Confident	76	Confident	79 Å²	79	98.4 Å²	98.4	55%	0.552	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-60.4	148.8	165.2	45.8	0	0	0	0	110.5	N867 N871	N867-S895 PolarHBondContact ND2-OG 2.87Å; N867-S895 PolarHBondContact OD1-O 3.09Å; N871-S895 PolarHBondContact ND2-O 3.28Å
896	K	78	Confident	73.7	Confident	191 Å²	191	95 Å²	95	83%	0.83	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-59.7	138.6	176	-70.9	-176.8	177.7	178.5	0	110.1	R898	K896-R898 PolarHBondContact O-N 2.83Å
897	P	75.4	Confident	71.1	Confident	63 Å²	63	89.8 Å²	89.8	41%	0.409	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-62.6	127.7	-178.8	26.1	-34.3	0	0	0	110.4	N868	N868-P897 WeakPolarHBondContact OD1-CA 3.48Å; N868-P897 WeakPolarHBondContact OD1-CB 3.21Å
898	R	70.4	Confident	68.5	Low	211 Å²	211	88.1 Å²	88.1	80%	0.796	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-77.6	146.8	171	-66.6	-174.5	178.9	-170.9	-0.5	109	K896 L900	K896-R898 PolarHBondContact O-N 2.83Å; R898-L900 PolarHBondContact O-N 2.59Å
899	K	59.9	Low	65.9	Low	208 Å²	208	88.4 Å²	88.4	90%	0.904	44%	0.439	S	S	*	.			trans	-58.5	114.3	171.4	-79.6	-171.8	176.1	-178.8	0	109.1	V901	K899-V901 PolarHBondContact O-N 3.37Å
900	L	58.3	Low	63.1	Low	75 Å²	75	89.2 Å²	89.2	39%	0.393	44%	0.441	S	S	.	.			trans	-72.6	114.3	170.2	-74.7	171	0	0	0	108.7	I696 P864 L865 N868 R898 N902	I696-L900 HydrophobicContact CG2-CD1 4.34Å; P864-L900 HydrophobicContact CB-CD2 3.84Å; L865-L900 HydrophobicContact CD1-CD1 4.14Å; N868-L900 WeakPolarHBondContact ND2-CD1 3.36Å; R898-L900 PolarHBondContact O-N 2.59Å; L900-N902 PolarHBondContact O-N 3.07Å
901	V	52.2	Low	60.6	Low	96 Å²	96	94 Å²	94	58%	0.582	46%	0.464	S	S	*	.			trans	-76.2	111.3	161.3	179.5	0	0	0	0	106.5	K899 T903	K899-V901 PolarHBondContact O-N 3.37Å; V901-T903 PolarHBondContact O-N 3.29Å
902	N	51.8	Low	58	Low	51 Å²	51	91 Å²	91	27%	0.273	46%	0.457	S	S	.	.			trans	-72.8	91	-179.6	-173.6	0.9	0	0	0	110.4	L900 I904 N905	L900-N902 PolarHBondContact O-N 3.07Å; N902-I904 VanDerWaalsContact C-N 3.27Å; N902-I904 PolarHBondContact OD1-N 3.47Å; N902-I904 VanDerWaalsContact OD1-N 3.09Å; N902-N905 PolarHBondContact OD1-N 2.89Å
903	T	49.5	Very low	55.2	Low	116 Å²	116	93.9 Å²	93.9	71%	0.712	48%	0.476	S	S	*	.			trans	-75.2	-15.2	174	50.1	0	0	0	0	113.2	V901	V901-T903 PolarHBondContact O-N 3.29Å
904	I	50.1	Low	52.9	Low	54 Å²	54	90 Å²	90	28%	0.277	47%	0.474	S	S	.	.	S	Bend	trans	-83.9	-18.7	-177	-66.4	173.1	0	0	0	111.7	H644 P837 R838 N902 P906	H644-I904 PolarHBondContact CD2-O 2.97Å; P837-I904 HydrophobicContact CB-CD1 3.68Å; P837-I904 HydrophobicContact CG-CD1 3.45Å; P837-I904 VanDerWaalsContact CG-CD1 3.45Å; R838-I904 HydrophobicContact CG-CG2 4.3Å; N902-I904 VanDerWaalsContact C-N 3.27Å; N902-I904 PolarHBondContact OD1-N 3.47Å; N902-I904 VanDerWaalsContact OD1-N 3.09Å; I904-P906 VanDerWaalsContact C-CD 3.42Å; I904-P906 VanDerWaalsContact O-CD 3.23Å; I904-P906 WeakPolarHBondContact O-CD 3.34Å
905	N	51.8	Low	50.6	Low	3 Å²	3	96.9 Å²	96.9	2%	0.016	51%	0.509	C	S	.	.			trans	-112.9	74.8	171.2	-167.9	22.2	0	0	0	112.8	H644 R678 E699 N902 G907 G908	H644-N905 PolarHBondContact NE2-OD1 3.38Å; R678-N905 PolarHBondContact NH2-ND2 3.22Å; E699-N905 PolarHBondContact OE1-ND2 3.09Å; E699-N905 PolarHBondContact OE2-ND2 3.12Å; N902-N905 PolarHBondContact OD1-N 2.89Å; N905-G907 PolarHBondContact O-N 2.77Å; N905-G908 VanDerWaalsContact CG-N 3.34Å; N905-G908 VanDerWaalsContact ND2-CA 3.33Å; N905-G908 WeakPolarHBondContact ND2-CA 3.2Å; N905-G908 PolarHBondContact ND2-N 2.9Å; N905-G908 PolarHBondContact O-N 3.47Å; N905-G908 PolarHBondContact OD1-N 2.6Å
906	P	41.9	Very low	48.1	Very low	48 Å²	48	103.4 Å²	103.4	31%	0.312	52%	0.523	S	S	.	.	H	α-helix	trans	-58.1	-35.6	172.4	24.3	-32.9	0	0	0	111.5	V671 I904 G908 R909 F910	V671-P906 HydrophobicContact CG2-CG 4.14Å; I904-P906 VanDerWaalsContact C-CD 3.42Å; I904-P906 VanDerWaalsContact O-CD 3.23Å; I904-P906 WeakPolarHBondContact O-CD 3.34Å; P906-G908 PolarHBondContact O-N 3.29Å; P906-R909 PolarHBondContact O-N 3.34Å; P906-F910 WeakPolarHBondContact O-CD2 3.45Å
907	G	39.6	Very low	45.8	Very low	11 Å²	11	99.7 Å²	99.7	11%	0.113	51%	0.512	C	S	.	.	H	α-helix	trans	-60.1	-20.3	173.2	0	0	0	0	0	115	N905	N905-G907 PolarHBondContact O-N 2.77Å
908	G	40.9	Very low	43.7	Very low	9 Å²	9	101 Å²	101	9%	0.093	53%	0.528	C	S	.	.	H	α-helix	trans	-69.6	-42.7	175.3	0	0	0	0	0	112.4	N905 P906 F910 M911	N905-G908 VanDerWaalsContact CG-N 3.34Å; N905-G908 VanDerWaalsContact ND2-CA 3.33Å; N905-G908 WeakPolarHBondContact ND2-CA 3.2Å; N905-G908 PolarHBondContact ND2-N 2.9Å; N905-G908 PolarHBondContact O-N 3.47Å; N905-G908 PolarHBondContact OD1-N 2.6Å; P906-G908 PolarHBondContact O-N 3.29Å; G908-F910 VanDerWaalsContact C-N 3.27Å; G908-F910 PolarHBondContact O-N 3.02Å; G908-M911 PolarHBondContact O-N 2.94Å
909	R	40.2	Very low	41.8	Very low	152 Å²	152	100.4 Å²	100.4	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-59.3	-39.6	175.9	-66.2	-171.5	177.1	-154	1.5	111.6	P906 M911 S912	P906-R909 PolarHBondContact O-N 3.34Å; R909-M911 PolarHBondContact O-N 3.31Å; R909-M911 VanDerWaalsContact O-N 3.15Å; R909-S912 PolarHBondContact O-N 3.44Å; R909-S912 VanDerWaalsContact O-N 3.09Å; R909-S912 PolarHBondContact O-OG 3.24Å
910	F	38.8	Very low	40.4	Very low	104 Å²	104	99 Å²	99	46%	0.456	52%	0.523	S	S	.	.	H	α-helix	trans	-67.8	-7	176.8	-70.5	-70.6	0	0	0	115.1	R675 P906 G908	R675-F910 PolarHBondContact NH2-O 3.41Å; P906-F910 WeakPolarHBondContact O-CD2 3.45Å; G908-F910 VanDerWaalsContact C-N 3.27Å; G908-F910 PolarHBondContact O-N 3.02Å
911	M	40.6	Very low	39.4	Very low	103 Å²	103	99.7 Å²	99.7	51%	0.507	54%	0.539	S	S	.	.	H	α-helix	trans	-95.2	-14.7	170.9	-63	-166.7	-174.5	0	0	113.5	G908 R909	G908-M911 PolarHBondContact O-N 2.94Å; R909-M911 PolarHBondContact O-N 3.31Å; R909-M911 VanDerWaalsContact O-N 3.15Å
912	S	36.5	Very low	38.4	Very low	91 Å²	91	101.8 Å²	101.8	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-104.7	-19.8	-167.6	54.8	0	0	0	0	116.8	R909	R909-S912 PolarHBondContact O-N 3.44Å; R909-S912 VanDerWaalsContact O-N 3.09Å; R909-S912 PolarHBondContact O-OG 3.24Å
913	T	29.6	Very low	37.5	Very low	94 Å²	94	106.5 Å²	106.5	58%	0.577	57%	0.57	S	S	*	*			trans	-130.4	130.8	-173.3	34.7	0	0	0	0	113.4
914	A	35.8	Very low	36.4	Very low	96 Å²	96	107 Å²	107	79%	0.793	58%	0.576	S	S	*	*	S	Bend	trans	-82.7	141.2	155.9	0	0	0	0	0	108.6
915	M	38.7	Very low	35.8	Very low	179 Å²	179	108.3 Å²	108.3	88%	0.882	60%	0.603	S	S	*	*			trans	51.5	107.6	-178.7	-61.7	-176.7	179.7	0	0	115.5
916	Y	30.3	Very low	34.7	Very low	217 Å²	217	113.2 Å²	113.2	85%	0.851	64%	0.637	S	S	*	*			trans	-144.2	154.5	147.2	-126.4	-86.3	0	0	0	111.3
917	D	30	Very low	34.3	Very low	112 Å²	112	115.5 Å²	115.5	60%	0.599	66%	0.66	S	S	*	*			trans	-75.7	150.4	-162.7	-167.6	13.3	0	0	0	113.7	R919	D917-R919 PolarHBondContact O-N 3.08Å
918	A	31.7	Very low	33.8	Very low	91 Å²	91	125.5 Å²	125.5	75%	0.752	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	14.4	-174.2	0	0	0	0	0	114.4
919	R	29.1	Very low	33.2	Very low	199 Å²	199	132.4 Å²	132.4	75%	0.751	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-17.6	-164.1	-135.3	169.6	-177.6	167.3	-0.9	115.6	D917	D917-R919 PolarHBondContact O-N 3.08Å
920	E	31.6	Very low	32.6	Very low	177 Å²	177	132.4 Å²	132.4	83%	0.827	73%	0.731	S	S	*	*	S	Bend	trans	-90.3	4.9	178	-65.7	-166.5	141.1	0	0	114.2
921	A	36.1	Very low	32.1	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	75%	0.747	S	S	*	*			trans	-99.2	18.7	-176.1	0	0	0	0	0	114.2
922	L	31.8	Very low	31.5	Very low	140 Å²	140	133.5 Å²	133.5	73%	0.733	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-100.2	119.5	-178	-73.8	167.4	0	0	0	111.7
923	I	33.6	Very low	31.1	Very low	151 Å²	151	133.8 Å²	133.8	77%	0.774	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-80.2	134.7	163.9	-59.1	174.8	0	0	0	107.4
924	P	25.1	Very low	31	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	79%	0.785	S	S	*	*	S	Bend	trans	-59.7	137.9	176.5	-23.6	34	0	0	0	112.5
925	G	37.6	Very low	30.6	Very low	82 Å²	82	133.9 Å²	133.9	85%	0.845	79%	0.788	S	S	*	*			trans	106.7	21	168.8	0	0	0	0	0	117.9
926	S	30.2	Very low	29.9	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	79%	0.788	S	S	*	*			trans	-79.5	124.8	171	-168	0	0	0	0	111.6	Y928	S926-Y928 VanDerWaalsContact C-N 3.33Å; S926-Y928 PolarHBondContact O-N 2.75Å; S926-Y928 VanDerWaalsContact O-N 3.15Å
927	A	32	Very low	30.2	Very low	96 Å²	96	132 Å²	132	79%	0.793	79%	0.785	S	S	*	*			trans	-88.5	36.3	-166.1	0	0	0	0	0	115.5
928	Y	30.6	Very low	30	Very low	220 Å²	220	130.7 Å²	130.7	86%	0.863	78%	0.784	S	S	*	*			trans	-134.6	72.3	-175.7	-78.5	-77.2	0	0	0	113.8	S926	S926-Y928 VanDerWaalsContact C-N 3.33Å; S926-Y928 PolarHBondContact O-N 2.75Å; S926-Y928 VanDerWaalsContact O-N 3.15Å
929	D	27.5	Very low	29.6	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	79%	0.787	S	S	*	*			trans	-155.7	90	146.4	-154.3	-11.3	0	0	0	112.4
930	R	27.5	Very low	29.4	Very low	153 Å²	153	130.9 Å²	130.9	58%	0.577	78%	0.784	S	S	*	*			trans	-150.9	94.4	171.2	-82.2	-164.7	171.3	-133	1.2	112.4	D34 F35 T36	D34-R930 IonicContact OD1-CZ 3.17Å; D34-R930 IonicContact OD1-NH2 2.69Å; D34-R930 PolarHBondContact OD1-NH2 2.87Å; F35-R930 PolarHBondContact O-NH2 2.92Å; T36-R930 PolarHBondContact OG1-NH1 2.88Å
931	S	28.4	Very low	29.2	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	78%	0.78	S	S	*	*			trans	-157.2	113.8	156.8	55.8	0	0	0	0	113.7
932	S	28.4	Very low	28.6	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	78%	0.775	S	S	*	*			trans	39.8	96.2	157.8	-163.8	0	0	0	0	118.4
933	A	27.3	Very low	28.3	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	77%	0.774	S	S	*	*				72.9	116	65.3	0	0	0	0	0	116.8
934	A	28.8	Very low	28.1	Very low	111 Å²	111	132.7 Å²	132.7	92%	0.917	77%	0.769	S	S	*	*			trans	-174	138.9	145.6	0	0	0	0	0	111.3
935	G	26.8	Very low	28.2	Very low	82 Å²	82	135.7 Å²	135.7	85%	0.845	77%	0.772	S	S	*	*			trans	106.7	90.1	159.8	0	0	0	0	0	119.6
936	R	23.6	Very low	27.9	Very low	237 Å²	237	139 Å²	139	89%	0.894	77%	0.77	S	S	*	*			trans	-110.1	170.3	147.5	-93.7	-173.3	-179.7	-172.8	1.5	107.5
937	P	36.3	Very low	27.7	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	78%	0.776	S	S	*	*			cis	-127.8	-177.7	19.7	42.1	-25.8	0	0	0	113.1
938	S	25.8	Very low	27.7	Very low	84 Å²	84	146.1 Å²	146.1	59%	0.587	78%	0.779	S	S	*	*			cis	169.5	171.6	-15.3	-80.8	0	0	0	0	106.1
939	N	24.4	Very low	27.6	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	77%	0.772	S	S	*	*			trans	81.6	115.6	173.8	-53	-4	0	0	0	114.5
940	M	24.7	Very low	27.7	Very low	143 Å²	143	139.3 Å²	139.3	70%	0.704	77%	0.771	S	S	*	*			cis	84	117.6	42.2	-171	-175.4	-169.3	0	0	112.6
941	Y	25.9	Very low	27.8	Very low	187 Å²	187	139.2 Å²	139.2	73%	0.733	78%	0.78	S	S	*	*				169.9	124.6	126.2	-104.8	-89.5	0	0	0	113.1
942	F	24.2	Very low	27.8	Very low	148 Å²	148	136.7 Å²	136.7	65%	0.649	77%	0.773	S	S	*	*			trans	50.3	122.5	136.6	-83.8	-113.6	0	0	0	125.4
943	Q	24.6	Very low	27.8	Very low	151 Å²	151	138.7 Å²	138.7	71%	0.706	78%	0.78	S	S	*	*				60.2	122.8	122.5	-75.4	-167.4	-35.8	0	0	124.4
944	T	30.7	Very low	27.7	Very low	110 Å²	110	137.5 Å²	137.5	68%	0.675	78%	0.777	S	S	*	*			trans	49.4	130.6	132.5	64.2	0	0	0	0	122.6
945	H	26.6	Very low	28.3	Very low	189 Å²	189	139 Å²	139	88%	0.875	78%	0.778	S	S	*	*				-167.3	148.9	118	-114.2	-77.1	0	0	0	113.2
946	D	30.6	Very low	28.3	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	77%	0.773	S	S	*	*			trans	-107.6	150.3	169.5	-105.3	-48.1	0	0	0	111.1
947	Q	27.9	Very low	28.6	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	77%	0.769	S	S	*	*			trans	-179.7	116.4	137.8	-104.1	176.9	17.5	0	0	116.3
948	I	31.3	Very low	28.2	Very low	170 Å²	170	137.5 Å²	137.5	87%	0.872	77%	0.77	S	S	*	*				20.8	136.2	129.7	-56.7	170.4	0	0	0	120.5
949	G	27.7	Very low	28.3	Very low	69 Å²	69	137.7 Å²	137.7	71%	0.711	78%	0.776	S	S	*	*			trans	175.1	91.7	156	0	0	0	0	0	122.1
950	M	29.4	Very low	28.5	Very low	162 Å²	162	135.4 Å²	135.4	80%	0.798	78%	0.778	S	S	*	*			trans	70.2	119.3	141.1	-55	-63.6	-86	0	0	125.5
951	I	31.1	Very low	28.6	Very low	151 Å²	151	136.8 Å²	136.8	77%	0.774	79%	0.785	S	S	*	*				30.7	138	128.7	-45.8	179.7	0	0	0	120.5
952	G	27.5	Very low	28.8	Very low	62 Å²	62	133.8 Å²	133.8	64%	0.639	78%	0.782	S	S	*	*			cis	136.3	139.4	-3.8	0	0	0	0	0	115.3
953	T	28.3	Very low	29.1	Very low	157 Å²	157	133.7 Å²	133.7	96%	0.963	79%	0.786	S	S	*	*			trans	-167.9	150.9	163.1	16.6	0	0	0	0	113.6
954	G	26.6	Very low	29.8	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	79%	0.79	S	S	*	*			trans	-104.4	-154.6	175.2	0	0	0	0	0	114
955	P	41.1	Very low	29.9	Very low	142 Å²	142	134.4 Å²	134.4	92%	0.922	80%	0.796	S	S	*	*			cis	-120.2	-173	10.8	43.3	-29.5	0	0	0	113.7
956	G	25.1	Very low	30.4	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	79%	0.79	S	S	*	*			cis	-168.7	-167.2	7.9	0	0	0	0	0	114.1
957	Q	30.6	Very low	30.4	Very low	176 Å²	176	132.4 Å²	132.4	82%	0.822	79%	0.79	S	S	*	*			trans	-97.1	-177.9	-167.9	-52.8	172.5	-30.1	0	0	113
958	M	28.1	Very low	30.4	Very low	160 Å²	160	130 Å²	130	79%	0.788	78%	0.783	S	S	*	*			cis	-167	165.5	13.4	-146.7	-179.5	-148.3	0	0	113.9
959	A	27.8	Very low	30.3	Very low	87 Å²	87	128.9 Å²	128.9	72%	0.719	78%	0.778	S	S	*	*			trans	74	124.1	139	0	0	0	0	0	126.7
960	A	28.3	Very low	30.3	Very low	103 Å²	103	131.4 Å²	131.4	85%	0.851	78%	0.779	S	S	*	*				78.1	176.2	126.6	0	0	0	0	0	123.5
961	M	28.2	Very low	30.4	Very low	171 Å²	171	132.4 Å²	132.4	84%	0.842	78%	0.784	S	S	*	*			trans	-129.3	161.6	-155.3	-59.8	-178.6	171.7	0	0	117.1
962	N	29.9	Very low	30.6	Very low	125 Å²	125	130.5 Å²	130.5	67%	0.668	78%	0.781	S	S	*	*			trans	94.3	120.4	138.4	-79	-19	0	0	0	125
963	I	29.9	Very low	32.1	Very low	145 Å²	145	133 Å²	133	74%	0.744	79%	0.786	S	S	*	*			trans	76.8	151.7	134.6	-64.5	169.7	0	0	0	117.5
964	P	38.6	Very low	32.1	Very low	122 Å²	122	134.3 Å²	134.3	79%	0.792	78%	0.783	S	S	*	*			cis	-129.1	-165	5.4	26.8	-0.4	0	0	0	118.4
965	I	33.4	Very low	32.5	Very low	154 Å²	154	135.5 Å²	135.5	79%	0.79	78%	0.778	S	S	*	*			trans	-90.6	169.9	-175.9	-11	175.2	0	0	0	114.4
966	P	37.4	Very low	33	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	77%	0.77	S	S	*	*				-163.7	152.4	80.2	41.8	-18.9	0	0	0	122.7
967	F	29.4	Very low	33.9	Very low	184 Å²	184	136.2 Å²	136.2	81%	0.807	77%	0.77	S	S	*	*			trans	56	148.8	140.6	-83.5	-94.9	0	0	0	128
968	N	28.1	Very low	33.8	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	77%	0.77	S	S	*	*			trans	83.9	153	156.4	-64.4	-21.2	0	0	0	120
969	L	29.3	Very low	34	Very low	146 Å²	146	136.8 Å²	136.8	76%	0.764	78%	0.776	S	S	*	*			cis	-160.8	161.6	-11	-112.8	170	0	0	0	114.6
970	V	28.6	Very low	34.1	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	78%	0.784	S	S	*	*			trans	10.2	134.3	160.3	166.1	0	0	0	0	124.8
971	M	30.8	Very low	34.1	Very low	184 Å²	184	139.2 Å²	139.2	91%	0.906	78%	0.777	S	S	*	*			trans	-159.9	144.9	131.5	-111.8	-159.8	-178.4	0	0	113.5
972	P	34.8	Very low	34.1	Very low	111 Å²	111	139.5 Å²	139.5	72%	0.721	78%	0.777	S	S	*	*			trans	-122.9	-153.7	178	50.1	-37.3	0	0	0	112.3
973	P	59.7	Low	34	Very low	113 Å²	113	138.6 Å²	138.6	73%	0.734	78%	0.776	S	S	*	*			trans	-124.4	175.4	-131.1	33.4	-10	0	0	0	117.1
974	M	28.7	Very low	33.9	Very low	185 Å²	185	139 Å²	139	91%	0.911	78%	0.78	S	S	*	*			trans	-165.3	171.6	158.3	-95.4	-35.6	-105.9	0	0	112.6
975	P	34.3	Very low	33.4	Very low	97 Å²	97	136.5 Å²	136.5	63%	0.63	78%	0.776	S	S	*	*			trans	-127.1	177.2	-150.8	41.6	-24.9	0	0	0	117.1
976	P	52.5	Low	34.2	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	78%	0.778	S	S	*	*			trans	-75.6	-173.2	165	37.1	-41.4	0	0	0	112
977	P	43.5	Very low	33.9	Very low	114 Å²	114	134.7 Å²	134.7	74%	0.74	78%	0.783	S	S	*	*			cis	-152.7	-164.7	23.5	43.1	-19	0	0	0	119.3
978	S	27.8	Very low	34.2	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	79%	0.787	S	S	*	*			trans	110.7	159	139.1	77.2	0	0	0	0	123.4
979	Y	33.3	Very low	34.4	Very low	230 Å²	230	128.3 Å²	128.3	90%	0.902	79%	0.789	S	S	*	*			trans	-64.1	146.2	-167.6	-99.3	-112.8	0	0	0	118.7
980	L	29.7	Very low	34.7	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	80%	0.798	S	S	*	*			trans	-174.3	147.1	135.4	-95.2	145.3	0	0	0	106.4
981	G	27.9	Very low	34.7	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	80%	0.801	S	S	*	*			cis	86	127.4	50	0	0	0	0	0	109.8
982	Q	29.6	Very low	34.8	Very low	177 Å²	177	127.5 Å²	127.5	83%	0.827	80%	0.798	S	S	*	*			cis	-170.7	169.5	-5	-164.2	-171.1	13.9	0	0	108.1
983	T	26.9	Very low	34.5	Very low	106 Å²	106	129.7 Å²	129.7	65%	0.65	80%	0.8	S	S	*	*			trans	79.3	143.3	159.1	76.6	0	0	0	0	122.5
984	N	28.5	Very low	33.3	Very low	154 Å²	154	133.7 Å²	133.7	82%	0.824	81%	0.806	S	S	*	*			trans	64.7	137.7	146	-60.5	-11.6	0	0	0	123.5
985	G	27.5	Very low	33.4	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	80%	0.801	S	S	*	*			trans	-94	-140.9	155.5	0	0	0	0	0	110.8
986	P	50.9	Low	33.3	Very low	129 Å²	129	133.9 Å²	133.9	84%	0.838	81%	0.814	S	S	*	*			cis	-139.3	-153.9	7.4	44	-24.5	0	0	0	113.9
987	A	30.6	Very low	33.3	Very low	102 Å²	102	134.2 Å²	134.2	84%	0.843	82%	0.817	S	S	*	*			trans	78.1	168.7	160.4	0	0	0	0	0	118.9
988	A	35.5	Very low	32.6	Very low	109 Å²	109	132.1 Å²	132.1	90%	0.901	82%	0.816	S	S	*	*			trans	-154.5	161.9	-161.8	0	0	0	0	0	114.1
989	G	31.5	Very low	32.8	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	82%	0.824	S	S	*	*			trans	144.8	163.4	167.6	0	0	0	0	0	114.4
990	R	37	Very low	32.6	Very low	256 Å²	256	132 Å²	132	97%	0.966	82%	0.82	S	S	*	*			cis	-170.2	158.3	-10.9	-143.2	-176.4	-172.9	-167.3	4.7	112.3
991	G	28	Very low	32.5	Very low	76 Å²	76	127.5 Å²	127.5	78%	0.784	82%	0.815	S	S	*	*			trans	111.5	145.5	163.5	0	0	0	0	0	114.4
992	A	31.6	Very low	32.7	Very low	102 Å²	102	134.6 Å²	134.6	84%	0.843	82%	0.821	S	S	*	*			cis	-155.8	-164.9	-5.4	0	0	0	0	0	108.1
993	M	30	Very low	32.8	Very low	158 Å²	158	133 Å²	133	78%	0.778	81%	0.813	S	S	*	*			cis	-163	160.3	4.1	-156.1	-158.2	-162.9	0	0	109.8
994	K	34.2	Very low	32.9	Very low	197 Å²	197	137.8 Å²	137.8	86%	0.857	82%	0.82	S	S	*	*			trans	67.9	154.8	172.4	-52.3	173.5	-177.9	175.6	0	114.5
995	G	29.5	Very low	32.9	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	81%	0.813	S	S	*	*			cis	-149.3	-169.2	-1.2	0	0	0	0	0	112.8
996	K	34	Very low	33	Very low	207 Å²	207	144.5 Å²	144.5	90%	0.9	82%	0.824	S	S	*	*			trans	-138.2	176.5	-167.3	-103.6	-175.6	179.9	178.3	0	110.7
997	P	51.7	Low	31.8	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	82%	0.817	S	S	*	*			cis	-140.4	179.7	-27.1	39	-22	0	0	0	115
998	G	29.9	Very low	31.7	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	82%	0.819	S	S	*	*			trans	140	115.1	139.5	0	0	0	0	0	120.9
999	R	31.9	Very low	31.5	Very low	267 Å²	267	141.6 Å²	141.6	100%	1.008	81%	0.81	S	S	*	*			trans	38.8	140.7	152.2	-64.9	178.8	171.7	175.7	-3.1	121.3
1000	G	27.8	Very low	31.5	Very low	79 Å²	79	145.8 Å²	145.8	81%	0.814	81%	0.81	S	S	*	*			cis	153.7	147.5	-10.1	0	0	0	0	0	115.6
1001	G	28.7	Very low	31.2	Very low	79 Å²	79	141.8 Å²	141.8	81%	0.814	80%	0.802	S	S	*	*			trans	102.6	160.4	171.3	0	0	0	0	0	115.7
1002	R	31.1	Very low	31.2	Very low	217 Å²	217	141.6 Å²	141.6	82%	0.819	80%	0.801	S	S	*	*			cis	-169.6	146.4	-14.9	-145.7	-171.9	-171.7	178.4	3.2	110.1
1003	Q	31.7	Very low	31	Very low	142 Å²	142	145 Å²	145	66%	0.664	81%	0.805	S	S	*	*			trans	64.1	167.3	158.9	-77.4	168.9	-36	0	0	117.8
1004	R	28.4	Very low	30.8	Very low	208 Å²	208	140.6 Å²	140.6	79%	0.785	80%	0.8	S	S	*	*			cis	-163.8	133.4	-34.7	-118.4	-178.3	173.9	-179.7	-4	111.5
1005	V	30.1	Very low	31.5	Very low	114 Å²	114	136.6 Å²	136.6	69%	0.691	79%	0.794	S	S	*	*				55.5	136.9	126.7	173.8	0	0	0	0	123.5
1006	R	28	Very low	31.6	Very low	250 Å²	250	140.3 Å²	140.3	94%	0.943	80%	0.795	S	S	*	*			trans	73.9	153.5	163.4	-80.5	167.3	179.8	-178	-2.3	118.2
1007	G	26.9	Very low	31.5	Very low	67 Å²	67	135 Å²	135	69%	0.691	78%	0.784	S	S	*	*			cis	159.5	163.1	-9.8	0	0	0	0	0	115.2
1008	S	28.6	Very low	30.6	Very low	124 Å²	124	138.1 Å²	138.1	87%	0.867	79%	0.788	S	S	*	*			trans	68.2	134.6	175.5	-69.7	0	0	0	0	117
1009	A	30.8	Very low	30.5	Very low	88 Å²	88	138.7 Å²	138.7	73%	0.727	79%	0.786	S	S	*	*				79.3	148.6	65.7	0	0	0	0	0	112.9
1010	H	31.3	Very low	30.5	Very low	159 Å²	159	130.7 Å²	130.7	74%	0.736	77%	0.771	S	S	*	*			cis	-168.3	164	27	-149.3	8.2	0	0	0	112.7
1011	Q	30.9	Very low	30.7	Very low	172 Å²	172	135.1 Å²	135.1	80%	0.804	77%	0.771	S	S	*	*			trans	63	162	161.2	-62.5	163	17.6	0	0	117.2
1012	G	27.1	Very low	30.8	Very low	73 Å²	73	138 Å²	138	75%	0.753	77%	0.768	S	S	*	*			cis	169.1	144.5	-4.1	0	0	0	0	0	106.8
1013	N	28.3	Very low	30.6	Very low	174 Å²	174	131.1 Å²	131.1	93%	0.93	76%	0.764	S	S	*	*			cis	-163.6	170.4	43.3	-130.4	0.9	0	0	0	110.9
1014	G	26.8	Very low	30.6	Very low	65 Å²	65	129.2 Å²	129.2	67%	0.67	77%	0.773	S	S	*	*			trans	-94.7	-149.3	167.1	0	0	0	0	0	113
1015	P	48.3	Very low	30.8	Very low	113 Å²	113	125.2 Å²	125.2	73%	0.734	78%	0.776	S	S	*	*			cis	-144	-177.8	7.5	44.5	-26.4	0	0	0	117.4
1016	N	30.3	Very low	30.9	Very low	156 Å²	156	128.4 Å²	128.4	83%	0.834	78%	0.784	S	S	*	*			trans	70.5	152.2	154.7	-68.8	-8.6	0	0	0	119.4
1017	S	33.3	Very low	30.8	Very low	95 Å²	95	121.9 Å²	121.9	66%	0.664	78%	0.776	S	S	*	*			cis	-143.7	146	4.5	52.7	0	0	0	0	113.8
1018	Q	31.5	Very low	30.8	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	78%	0.784	S	S	*	*			trans	31.3	146.5	132.1	-59.1	177.9	-27.3	0	0	120.8
1019	A	29.6	Very low	30.9	Very low	82 Å²	82	126.8 Å²	126.8	68%	0.678	78%	0.776	S	S	*	*			cis	-156.4	173.8	19.5	0	0	0	0	0	113.6
1020	S	30.8	Very low	30.9	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	79%	0.787	S	S	*	*			trans	57.6	117.3	153.9	43.9	0	0	0	0	119.4
1021	Q	32.4	Very low	30.9	Very low	171 Å²	171	127.8 Å²	127.8	80%	0.799	78%	0.783	S	S	*	*				72.5	141.3	69.5	-75.1	-159.9	-71.5	0	0	114
1022	D	29.5	Very low	31.4	Very low	141 Å²	141	125.3 Å²	125.3	75%	0.754	78%	0.781	S	S	*	*			cis	-163.7	177.5	-15	-131.3	-40.5	0	0	0	109.7
1023	G	28.6	Very low	31.6	Very low	72 Å²	72	129.4 Å²	129.4	74%	0.742	79%	0.785	S	S	*	*			trans	95.9	113.9	149.3	0	0	0	0	0	118.1
1024	A	31.7	Very low	31.7	Very low	102 Å²	102	127.2 Å²	127.2	84%	0.843	78%	0.778	S	S	*	*			trans	-107.6	147.5	161.6	0	0	0	0	0	110.3
1025	S	31.3	Very low	32	Very low	124 Å²	124	134 Å²	134	87%	0.867	79%	0.793	S	S	*	*			trans	-166.2	157.6	156.3	47.9	0	0	0	0	112.4
1026	Q	32.1	Very low	31	Very low	181 Å²	181	131.7 Å²	131.7	85%	0.846	79%	0.789	S	S	*	*			trans	-113.1	147.6	167.7	-61.6	172.9	-35.8	0	0	108.3
1027	S	26.6	Very low	30.9	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	79%	0.792	S	S	*	*				158.5	134.5	124.1	-72.9	0	0	0	0	115.2
1028	F	27	Very low	30.7	Very low	194 Å²	194	138.5 Å²	138.5	85%	0.851	80%	0.801	S	S	*	*			trans	17.3	114.7	144	-83.9	-91.4	0	0	0	122.5
1029	S	29.9	Very low	30.4	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	79%	0.794	S	S	*	*				53.8	119.6	126.3	67.6	0	0	0	0	122.5
1030	Q	30.8	Very low	30.4	Very low	207 Å²	207	138.2 Å²	138.2	97%	0.967	80%	0.799	S	S	*	*			trans	-155.8	162.6	132.7	-111.6	179.1	34.5	0	0	110.7
1031	G	32.3	Very low	30.4	Very low	62 Å²	62	138.1 Å²	138.1	64%	0.639	80%	0.798	S	S	*	*			trans	-149.2	171.1	173	0	0	0	0	0	109.8
1032	P	42	Very low	30.4	Very low	120 Å²	120	138.6 Å²	138.6	78%	0.779	80%	0.801	S	S	*	*				-152.7	169	98.4	39.6	-22.2	0	0	0	116.8
1033	L	30.2	Very low	30.7	Very low	159 Å²	159	137.9 Å²	137.9	83%	0.832	80%	0.804	S	S	*	*			trans	28.4	124.2	143.4	-59	166.7	0	0	0	118.2
1034	T	31	Very low	30.8	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	80%	0.804	S	S	*	*				-170.4	134.9	58	46.2	0	0	0	0	112.9
1035	Q	32.8	Very low	30.7	Very low	207 Å²	207	143.4 Å²	143.4	97%	0.967	80%	0.804	S	S	*	*			trans	-170.8	145.1	133.2	-112.4	-176.8	10.6	0	0	109.9
1036	G	28.3	Very low	30.5	Very low	64 Å²	64	144.9 Å²	144.9	66%	0.66	80%	0.799	S	S	*	*			trans	-172.6	164.3	172.8	0	0	0	0	0	110.2
1037	Y	27.7	Very low	30.3	Very low	229 Å²	229	140.9 Å²	140.9	90%	0.898	79%	0.791	S	S	*	*			trans	-151.2	136.1	165.1	-109.2	-74.5	0	0	0	111.3
1038	I	29.1	Very low	30.6	Very low	166 Å²	166	144 Å²	144	85%	0.851	79%	0.794	S	S	*	*			trans	-137.1	121.5	169.1	-61.1	174	0	0	0	106.4
1039	S	25.7	Very low	31.1	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	79%	0.792	S	S	*	*			trans	175	122.4	159.3	-165.3	0	0	0	0	106.3
1040	M	29.3	Very low	30.9	Very low	160 Å²	160	138.7 Å²	138.7	79%	0.788	79%	0.786	S	S	*	*				65.8	92.7	65.1	-69.4	-80.9	-82.7	0	0	114.6
1041	S	29.9	Very low	30.7	Very low	98 Å²	98	137.3 Å²	137.3	69%	0.685	78%	0.784	S	S	*	*			trans	60.1	131.1	136.2	61.8	0	0	0	0	124
1042	Q	32.2	Very low	30.5	Very low	181 Å²	181	139.4 Å²	139.4	85%	0.846	79%	0.789	S	S	*	*			trans	73.6	161.6	150.5	-82.2	-169.2	7.8	0	0	117.9
1043	P	36.3	Very low	30.1	Very low	126 Å²	126	142 Å²	142	82%	0.818	79%	0.791	S	S	*	*			cis	-124.3	-168.5	18.1	43.7	-29.1	0	0	0	116.9
1044	S	29.7	Very low	30.6	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	79%	0.786	S	S	*	*			trans	-112.7	153.9	-167.3	51.8	0	0	0	0	115.2
1045	Q	30.5	Very low	30.3	Very low	184 Å²	184	141.1 Å²	141.1	86%	0.86	78%	0.784	S	S	*	*			trans	-168.9	150.6	164.6	-103.3	170.2	27.5	0	0	107.6
1046	M	26.7	Very low	30.1	Very low	154 Å²	154	138.4 Å²	138.4	76%	0.759	78%	0.775	S	S	*	*			cis	-159.1	150.3	-10.5	-149	173.3	76	0	0	110.9
1047	S	29.1	Very low	30.2	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	77%	0.772	S	S	*	*			trans	41.3	134.3	152.8	54.9	0	0	0	0	124.9
1048	Q	32.7	Very low	30.3	Very low	179 Å²	179	136.1 Å²	136.1	84%	0.836	76%	0.764	S	S	*	*			trans	-51.1	177.5	159.9	-99.1	-169.8	21.9	0	0	116.6
1049	P	37.5	Very low	30.2	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	75%	0.754	S	S	*	*			cis	-133.1	-171.8	26.8	40.6	-21.2	0	0	0	115.3
1050	G	24.4	Very low	30.5	Very low	56 Å²	56	132.7 Å²	132.7	58%	0.577	75%	0.746	S	S	*	*			cis	154.8	167.4	-6.6	0	0	0	0	0	111.9
1051	L	27.6	Very low	30.6	Very low	178 Å²	178	135.1 Å²	135.1	93%	0.932	75%	0.748	S	S	*	*			trans	66.9	157.9	177.5	-60.8	166.7	0	0	0	115.7
1052	S	28.5	Very low	30.8	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	75%	0.751	S	S	*	*			cis	-162	171.6	-17.4	51.2	0	0	0	0	110.6
1053	Q	34.1	Very low	30.8	Very low	175 Å²	175	131.4 Å²	131.4	82%	0.818	74%	0.74	S	S	*	*			trans	-72.4	155.9	156.9	-76.4	-175.9	-35.3	0	0	110.6
1054	P	39	Very low	30.7	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	74%	0.738	S	S	*	*				-122.7	153.4	93.9	2.7	20	0	0	0	111.9
1055	E	25.7	Very low	31.1	Very low	158 Å²	158	133.2 Å²	133.2	74%	0.738	73%	0.73	S	S	*	*				73.6	125.4	61.9	-76.1	-162.4	139.7	0	0	116.7
1056	L	28.2	Very low	31.2	Very low	149 Å²	149	132.5 Å²	132.5	78%	0.78	73%	0.725	S	S	*	*			trans	62.9	158.6	145.8	-62.6	168.2	0	0	0	118
1057	S	30.1	Very low	31.6	Very low	86 Å²	86	131.8 Å²	131.8	60%	0.601	72%	0.717	S	S	*	*			cis	-171.9	156.9	-22.6	48.6	0	0	0	0	106.5
1058	Q	29.3	Very low	31.9	Very low	159 Å²	159	131.8 Å²	131.8	74%	0.743	72%	0.717	S	S	*	*				170.9	152.9	75.3	-108.2	-173.2	-80.5	0	0	109.8
1059	D	28.6	Very low	32.1	Very low	119 Å²	119	131.1 Å²	131.1	64%	0.636	71%	0.714	S	S	*	*			trans	45.2	157.6	136.8	-66.1	-51.6	0	0	0	125.6
1060	S	30.5	Very low	32.1	Very low	80 Å²	80	131.9 Å²	131.9	56%	0.559	71%	0.71	S	S	*	*			cis	178.2	176.3	-29.9	-94.4	0	0	0	0	110
1061	Y	31.9	Very low	32.5	Very low	211 Å²	211	135.1 Å²	135.1	83%	0.827	71%	0.714	S	S	*	*			trans	70.2	138.3	166.7	-65.6	-80.4	0	0	0	116.7
1062	L	34	Very low	32.8	Very low	141 Å²	141	132.7 Å²	132.7	74%	0.738	71%	0.706	S	S	*	*			cis	-147.5	167.9	-2.5	-91.2	152.1	0	0	0	108.1	D1064	L1062-D1064 WeakPolarHBondContact CD2-OD2 3.29Å
1063	G	32.6	Very low	33	Very low	60 Å²	60	131.1 Å²	131.1	62%	0.619	70%	0.7	S	S	*	*			cis	112.8	148.8	13.2	0	0	0	0	0	111.8
1064	D	34.6	Very low	32.9	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	70%	0.703	S	S	*	*			cis	-164.1	172.4	-8.7	-72	-59.5	0	0	0	107.5	L1062	L1062-D1064 WeakPolarHBondContact CD2-OD2 3.29Å
1065	E	37.8	Very low	32.5	Very low	123 Å²	123	130 Å²	130	58%	0.575	70%	0.7	S	S	*	*			cis	-134.6	-103.5	1.7	-163.6	-160.2	44.8	0	0	111	K1067	E1065-K1067 IonicContact OE1-NZ 2.72Å; E1065-K1067 PolarHBondContact OE1-NZ 3.31Å; E1065-K1067 WeakPolarHBondContact OE2-CE 3.29Å; E1065-K1067 IonicContact OE2-NZ 3.16Å; E1065-K1067 PolarHBondContact OE2-NZ 3.15Å
1066	F	32.2	Very low	32.7	Very low	169 Å²	169	131.1 Å²	131.1	74%	0.741	71%	0.705	S	S	*	*			cis	-152.8	82.5	-10.7	-158.1	-75.6	0	0	0	113.8
1067	K	36	Very low	32.9	Very low	139 Å²	139	131 Å²	131	60%	0.604	71%	0.705	S	S	*	*			trans	59.4	169.7	152.1	-53.9	-170.7	178.8	81.8	0	119.5	E1065	E1065-K1067 IonicContact OE1-NZ 2.72Å; E1065-K1067 PolarHBondContact OE1-NZ 3.31Å; E1065-K1067 WeakPolarHBondContact OE2-CE 3.29Å; E1065-K1067 IonicContact OE2-NZ 3.16Å; E1065-K1067 PolarHBondContact OE2-NZ 3.15Å
1068	S	35.6	Very low	32.9	Very low	97 Å²	97	133 Å²	133	68%	0.678	72%	0.719	S	S	*	*			cis	-145.4	139	10.8	56.5	0	0	0	0	112.5
1069	Q	36.8	Very low	33	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	72%	0.722	S	S	*	*				57.1	143.5	101.6	-58.9	-174.6	-53.6	0	0	116.1
1070	I	36.1	Very low	33.1	Very low	140 Å²	140	137 Å²	137	72%	0.718	73%	0.734	S	S	*	*			cis	-166.7	175.5	18.5	-133.8	-174.5	0	0	0	109.1
1071	D	33.4	Very low	33	Very low	125 Å²	125	141.9 Å²	141.9	67%	0.668	75%	0.749	S	S	*	*			cis	-165.5	175.9	-9.7	-151.8	-7	0	0	0	112
1072	V	33.7	Very low	32.8	Very low	126 Å²	126	135.6 Å²	135.6	76%	0.764	75%	0.748	S	S	*	*			trans	53.8	147.1	142.3	151.8	0	0	0	0	123.2
1073	A	33.8	Very low	32.6	Very low	74 Å²	74	137.1 Å²	137.1	61%	0.612	75%	0.751	S	S	*	*			cis	-175.3	175.5	-29.2	0	0	0	0	0	111.5
1074	L	30.8	Very low	32.5	Very low	170 Å²	170	145.8 Å²	145.8	89%	0.89	77%	0.765	S	S	*	*			trans	70.4	156.7	163.4	-58	173.9	0	0	0	118.4
1075	S	30.8	Very low	32.2	Very low	92 Å²	92	143.2 Å²	143.2	64%	0.643	76%	0.764	S	S	*	*			cis	-173.4	174.6	-26.4	59.4	0	0	0	0	111.9
1076	Q	30.9	Very low	31.9	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	78%	0.776	S	S	*	*			trans	92.7	151.2	161.2	-68.4	-174.2	-8.1	0	0	121.3
1077	D	31.1	Very low	31.8	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	79%	0.785	S	S	*	*			trans	-96.3	164.9	-163.4	-46	-103.8	0	0	0	114.8
1078	S	30.5	Very low	31.6	Very low	127 Å²	127	150.8 Å²	150.8	89%	0.888	80%	0.797	S	S	*	*				-164.8	115.3	125.5	-83	0	0	0	0	111.7
1079	T	31.1	Very low	31.3	Very low	130 Å²	130	149.9 Å²	149.9	80%	0.798	80%	0.802	S	S	*	*			trans	-83.5	147.9	166.8	39.5	0	0	0	0	111
1080	Y	30	Very low	30.8	Very low	231 Å²	231	145.5 Å²	145.5	91%	0.906	80%	0.801	S	S	*	*			trans	-153.2	153	136.7	-134.2	-93.6	0	0	0	112.1
1081	Q	29.8	Very low	30.6	Very low	184 Å²	184	145.3 Å²	145.3	86%	0.86	81%	0.806	S	S	*	*			trans	-100.7	160.6	-173.5	-63	170.7	-54.6	0	0	112
1082	G	27.1	Very low	30.5	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	82%	0.815	S	S	*	*			trans	-168.5	60.5	179.6	0	0	0	0	0	113.7
1083	E	30	Very low	30.4	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	82%	0.817	S	S	*	*			trans	-72.2	171.5	172.4	-69	-166.9	125.2	0	0	113.3
1084	R	29.4	Very low	30.4	Very low	241 Å²	241	148.4 Å²	148.4	91%	0.909	83%	0.831	S	S	*	*			trans	94.4	139	164.6	-60.2	178.8	179.1	-171.4	-1.8	115.9
1085	A	29.2	Very low	30.6	Very low	93 Å²	93	145.7 Å²	145.7	77%	0.769	83%	0.827	S	S	*	*			cis	-157.9	169.4	-10.4	0	0	0	0	0	112.1
1086	Y	31.8	Very low	31	Very low	210 Å²	210	149.5 Å²	149.5	82%	0.824	83%	0.834	S	S	*	*			trans	-52.3	146	169.1	-81.7	-111.8	0	0	0	113.5
1087	Q	29.7	Very low	31.2	Very low	197 Å²	197	155 Å²	155	92%	0.921	85%	0.849	S	S	*	*			trans	-147.2	140.6	133.1	-122.1	174.1	10.5	0	0	111.9
1088	H	31.1	Very low	31.2	Very low	184 Å²	184	155.4 Å²	155.4	85%	0.852	85%	0.852	S	S	*	*			trans	-79.8	138.2	175.6	-88.9	-78.9	0	0	0	111.2
1089	G	29.6	Very low	31.3	Very low	77 Å²	77	156.8 Å²	156.8	79%	0.794	85%	0.85	S	S	*	*			trans	-148.5	110.3	162.5	0	0	0	0	0	109.3
1090	G	27.7	Very low	31.3	Very low	73 Å²	73	158.3 Å²	158.3	75%	0.753	85%	0.853	S	S	*	*			trans	-99.7	-156.8	179.2	0	0	0	0	0	113
1091	V	30.9	Very low	31.3	Very low	136 Å²	136	154.1 Å²	154.1	82%	0.824	85%	0.85	S	S	*	*			trans	87.8	87	173.2	-170.4	0	0	0	0	116.1
1092	T	32.5	Very low	31.4	Very low	138 Å²	138	152.2 Å²	152.2	85%	0.847	85%	0.849	S	S	*	*			trans	44.3	125.9	138.6	63.6	0	0	0	0	121.7
1093	G	31.4	Very low	31.7	Very low	78 Å²	78	157.1 Å²	157.1	80%	0.804	85%	0.852	S	S	*	*			trans	-176.2	76.9	166.2	0	0	0	0	0	117
1094	L	33	Very low	31.9	Very low	174 Å²	174	155.9 Å²	155.9	91%	0.911	86%	0.855	S	S	*	*			trans	30.1	107.4	155.1	-72.5	161.8	0	0	0	121.1
1095	S	35.8	Very low	32	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	85%	0.851	S	S	*	*			trans	6.5	123.3	140.5	-171.7	0	0	0	0	120.2
1096	Q	37.4	Very low	32.3	Very low	171 Å²	171	154.1 Å²	154.1	80%	0.799	86%	0.857	S	S	*	*			trans	-163	113	135.4	-114.6	171.4	40.5	0	0	111.7
1097	Y	36.3	Very low	32.3	Very low	297 Å²	297	149 Å²	149	100%	1.165	86%	0.861	S	S	*	*				-175	0	118.4	-103.6	-66.1	0	0	0	111.5

Retrieved 1,097 of 1,097 residues in 722.7 ms (Link to these results)

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