A0A096MJ42_RAT Loading...

Discs large MAGUK scaffold protein 3

AlphaFold DB (A0A0G2K0Y9), UniProt , Accession A0A096MJ42, Species RAT (Rattus norvegicus, Rat), Gene Dlg3, Length 867 aa.

						>A0A096MJ42_RAT|A0A096MJ42|Dlg3
MHKHQHCCKCPECYEVTRLAALRRLEPPGYGDWQVPDPYGPSGGNGASSGYGGYSSQTLPSQAGATPTPRTKAKLIPTGRDVGPVPPKPVPGKNTPKLNGSGPSWWPECTCTNRDWYEQASPAPLLVNPEALEPSLSVNGSDGMFKYEEIVLERGNSGLGFSIAGGIDNPHVPDDPGIFITKIIPGGAAAMDGRLGVNDCVLRVNEVDVSEVVHSRAVEALKEAGPVVRLVVRRRQPPPETIMEVNLLKGPKGLGFSIAGGIGNQHIPGDNSIYITKIIEGGAAQKDGRLQIGDRLLAVNNTNLQDVRHEEAVASLKNTSDMVYLKVAKPGSLHLNDMYAPPDYASTFTALADNHISHNSSLGYLGAVESKVTYPAPPQVPPTRYSPIPRHMLAEEDFTREPRKIILHKGSTGLGFNIVGGEDGEGIFVSFILAGGPADLSGELRRGDRILSVNGVNLRNATHEQAAAALKRAGQSVTIVAQYRPEEYSRFESKIHDLREQMMNSSMSSGSGSLRTSEKRSLYVRALFDYDRTRDSCLPSQGLSFSYGDILHVINASDDEWWQARLVTPHGESEQIGVIPSKKRVEKKERARLKTVKFHARTGMIESNRSIKTKRKKSFRLSRKFPFYKSKENMAQEKSIQEQGVTSNTSDSESSSKGQEDAILSYEPVTRQEIHYARPVIILGPMKDRVNDDLISEFPHKFGSCVPHTTRPRRDNEVDGQDYHFVVSREQMEKDIQDNKFIEAGQFNDNLYGTSIQSVRAVAERGKHCILDVSGNAIKRLQQAQLYPIAIFIKPKSIEALMEMNRRQTYEQANKIFDKAMKLEQEFGEYFTAIVQGDSLEEIYNKIKQIIEDQSGHYIWVPSPEKL
					

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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	30.2	Very low	30	Very low	225 Å²	225	155.5 Å²	155.5	100%	1.108	80%	0.804	S	S	*	*				0	137.6	0	-69.2	152.9	62	0	0	108.1
2	H	29.2	Very low	30.2	Very low	167 Å²	167	155.6 Å²	155.6	77%	0.773	80%	0.798	S	S	*	*			trans	50.3	147.5	156.6	-64.5	-28.1	0	0	0	121.1
3	K	29.3	Very low	30.3	Very low	153 Å²	153	152.4 Å²	152.4	67%	0.665	80%	0.796	S	S	*	*			cis	-169.4	151.6	-21.4	-122.6	-179.7	169.4	-167.6	0	108.4
4	H	32.7	Very low	30.5	Very low	131 Å²	131	156.1 Å²	156.1	61%	0.606	80%	0.796	S	S	*	*			trans	47.8	118.8	159.9	-54.9	-55.6	0	0	0	119.2
5	Q	32.6	Very low	30.8	Very low	163 Å²	163	151.8 Å²	151.8	76%	0.762	77%	0.771	S	S	*	*				63.6	119.3	71.3	-68.5	173.7	-60.4	0	0	115.5
6	H	27.2	Very low	31	Very low	203 Å²	203	149.6 Å²	149.6	94%	0.94	77%	0.767	S	S	*	*				-155.4	165.6	122.6	-102.9	-72.8	0	0	0	109.6
7	C	28.7	Very low	31.2	Very low	115 Å²	115	147.7 Å²	147.7	78%	0.777	77%	0.765	S	S	*	*			trans	-148.9	145.1	-169.7	174.5	0	0	0	0	110.5
8	C	27.3	Very low	31.3	Very low	131 Å²	131	148.8 Å²	148.8	89%	0.885	76%	0.757	S	S	*	*			trans	-168.3	162.9	146	-116.3	0	0	0	0	112.4
9	K	32.3	Very low	31.4	Very low	206 Å²	206	148.1 Å²	148.1	90%	0.896	76%	0.755	S	S	*	*			trans	-112.8	141.3	172.9	-64.8	178.4	177.6	-180	0	110
10	C	25.1	Very low	31.4	Very low	91 Å²	91	145.1 Å²	145.1	62%	0.615	75%	0.753	S	S	*	*			trans	-155.6	146.1	158.3	-159.2	0	0	0	0	110.6	E12	C10-E12 PolarHBondContact O-N 2.76Å
11	P	35.9	Very low	31.5	Very low	125 Å²	125	142.3 Å²	142.3	81%	0.812	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	2.9	-170.9	-17.7	34.2	0	0	0	117.9	C13	P11-C13 PolarHBondContact O-N 3.27Å
12	E	32.3	Very low	31.7	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.734	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	2.1	-162.2	-63.5	178.9	127.7	0	0	115.7	C10 Y14	C10-E12 PolarHBondContact O-N 2.76Å; E12-Y14 VanDerWaalsContact C-N 3.27Å; E12-Y14 PolarHBondContact O-N 3.09Å
13	C	31.7	Very low	31.8	Very low	114 Å²	114	141.8 Å²	141.8	77%	0.77	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	11.5	-173.2	-66.9	0	0	0	0	115.9	P11	P11-C13 PolarHBondContact O-N 3.27Å
14	Y	33.1	Very low	31.8	Very low	205 Å²	205	146.1 Å²	146.1	80%	0.804	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-17.3	-178.9	-157.6	-104	0	0	0	114.8	E12	E12-Y14 VanDerWaalsContact C-N 3.27Å; E12-Y14 PolarHBondContact O-N 3.09Å
15	E	33.8	Very low	31.7	Very low	91 Å²	91	148.1 Å²	148.1	43%	0.425	77%	0.767	S	S	.	*	S	Bend	trans	-80.8	-26.7	178.6	-81.5	-72.8	-169.2	0	0	114	T17 R18 L19	E15-T17 VanDerWaalsContact C-N 3.28Å; E15-T17 PolarHBondContact O-N 2.97Å; E15-R18 WeakPolarHBondContact O-CB 3.18Å; E15-R18 PolarHBondContact O-N 3.17Å; E15-R18 IonicContact OE1-CZ 2.8Å; E15-R18 IonicContact OE1-NE 3.25Å; E15-R18 IonicContact OE1-NH2 2.7Å; E15-R18 PolarHBondContact OE1-NH2 2.84Å; E15-R18 IonicContact OE2-CZ 3.4Å; E15-R18 IonicContact OE2-NE 3.59Å; E15-R18 PolarHBondContact OE2-NE 2.88Å; E15-R18 IonicContact OE2-NH2 3.25Å; E15-R18 PolarHBondContact OE2-NH2 3.45Å; E15-L19 PolarHBondContact O-N 3.36Å
16	V	34.4	Very low	31.5	Very low	116 Å²	116	149.2 Å²	149.2	70%	0.703	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-31.1	-172.5	-176.2	0	0	0	0	112.1
17	T	34.6	Very low	31.7	Very low	118 Å²	118	145.2 Å²	145.2	72%	0.724	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-22	174.1	-41.2	0	0	0	0	112.6	E15	E15-T17 VanDerWaalsContact C-N 3.28Å; E15-T17 PolarHBondContact O-N 2.97Å
18	R	33.5	Very low	32.3	Very low	167 Å²	167	146.2 Å²	146.2	63%	0.63	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-28	-175.9	-163.2	167.3	71.5	131.8	-2.4	113.1	E15	E15-R18 WeakPolarHBondContact O-CB 3.18Å; E15-R18 PolarHBondContact O-N 3.17Å; E15-R18 IonicContact OE1-CZ 2.8Å; E15-R18 IonicContact OE1-NE 3.25Å; E15-R18 IonicContact OE1-NH2 2.7Å; E15-R18 PolarHBondContact OE1-NH2 2.84Å; E15-R18 IonicContact OE2-CZ 3.4Å; E15-R18 IonicContact OE2-NE 3.59Å; E15-R18 PolarHBondContact OE2-NE 2.88Å; E15-R18 IonicContact OE2-NH2 3.25Å; E15-R18 PolarHBondContact OE2-NH2 3.45Å
19	L	32.6	Very low	32.5	Very low	136 Å²	136	143.4 Å²	143.4	71%	0.712	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-5.4	-178.6	-80.3	162.1	0	0	0	114.9	E15	E15-L19 PolarHBondContact O-N 3.36Å
20	A	32.3	Very low	32.3	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-16.3	179	0	0	0	0	0	114.4
21	A	33.4	Very low	32.6	Very low	88 Å²	88	144 Å²	144	73%	0.727	77%	0.767	S	S	*	*	S	Bend	trans	-98.2	-3.7	-170.5	0	0	0	0	0	115.4
22	L	34.6	Very low	32.3	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	77%	0.768	S	S	*	*	S	Bend	trans	-116.5	40.9	-172.7	-75	173.3	0	0	0	114
23	R	29.6	Very low	32.1	Very low	228 Å²	228	148 Å²	148	86%	0.86	77%	0.772	S	S	*	*			trans	-145.5	98.9	166.5	-70.7	-168.5	-175.2	175.5	3.1	113.3
24	R	31	Very low	31.8	Very low	245 Å²	245	150.2 Å²	150.2	93%	0.925	77%	0.77	S	S	*	*			trans	-172.3	141.7	141.7	-104.8	157.4	-162.3	-142.9	1.9	111.5
25	L	29.4	Very low	31.8	Very low	172 Å²	172	146.6 Å²	146.6	90%	0.901	77%	0.769	S	S	*	*			trans	71.9	84.5	169.2	-55.4	176.2	0	0	0	117.8
26	E	29.5	Very low	31.9	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.7	150.9	139.9	-62.9	175.2	126.6	0	0	109.6
27	P	31.4	Very low	31.8	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-89.6	157.8	151.2	34.7	-28.9	0	0	0	111.3
28	P	39.6	Very low	32.3	Very low	135 Å²	135	148.9 Å²	148.9	88%	0.877	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-85.3	157.8	-160.4	33.8	-37.6	0	0	0	115.3
29	G	31.7	Very low	32.2	Very low	72 Å²	72	151.7 Å²	151.7	74%	0.742	80%	0.8	S	S	*	*			trans	-107	162.5	175.3	0	0	0	0	0	115.4
30	Y	29.5	Very low	31.9	Very low	249 Å²	249	148.3 Å²	148.3	98%	0.976	80%	0.798	S	S	*	*			trans	-149.2	150.9	165.7	-112.9	-102.5	0	0	0	104.9
31	G	30.1	Very low	32.8	Very low	61 Å²	61	150.1 Å²	150.1	63%	0.629	80%	0.803	S	S	*	*			cis	166.3	109.8	-1.3	0	0	0	0	0	106.9
32	D	30.8	Very low	32.7	Very low	156 Å²	156	152.1 Å²	152.1	83%	0.834	81%	0.811	S	S	*	*			trans	-79.6	123	-160	-177.4	25	0	0	0	114.3
33	W	26.8	Very low	32.5	Very low	211 Å²	211	148.7 Å²	148.7	80%	0.799	81%	0.812	S	S	*	*			trans	-155.5	114.4	169.1	-84.8	101.4	0	0	0	114.2
34	Q	27	Very low	32.5	Very low	160 Å²	160	140.9 Å²	140.9	75%	0.748	80%	0.803	S	S	*	*			trans	41.3	137.5	141.3	-67.4	-177.3	-13.1	0	0	123.5
35	V	32.2	Very low	32.5	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	80%	0.804	S	S	*	*			trans	-80.6	142.3	171	-170.8	0	0	0	0	111.2
36	P	35.7	Very low	32.5	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	79%	0.792	S	S	*	*				-139.5	147.5	117.8	36	-23.9	0	0	0	114.4
37	D	33.2	Very low	32.6	Very low	154 Å²	154	128.5 Å²	128.5	82%	0.824	79%	0.792	S	S	*	*			trans	-61.9	150.2	165.3	-76.1	-64.1	0	0	0	111.9
38	P	44.1	Very low	32.6	Very low	106 Å²	106	127.7 Å²	127.7	69%	0.688	79%	0.789	S	S	*	*				-142.2	134.3	120.7	20.2	1.1	0	0	0	116
39	Y	31.6	Very low	32.2	Very low	226 Å²	226	127.3 Å²	127.3	89%	0.886	79%	0.79	S	S	*	*			trans	65.1	123.4	149.3	-75.7	-110.6	0	0	0	121
40	G	26.8	Very low	32	Very low	65 Å²	65	126.9 Å²	126.9	67%	0.67	79%	0.785	S	S	*	*			trans	-91.2	-146.1	146.5	0	0	0	0	0	111
41	P	50.6	Low	32	Very low	126 Å²	126	126.8 Å²	126.8	82%	0.818	78%	0.784	S	S	*	*			cis	-139.8	162.6	0.2	41.8	-25.1	0	0	0	116.6
42	S	32.2	Very low	31.8	Very low	129 Å²	129	127.5 Å²	127.5	90%	0.902	79%	0.792	S	S	*	*			trans	177.9	144.4	145	43.6	0	0	0	0	110.5
43	G	29.2	Very low	31.6	Very low	80 Å²	80	123.3 Å²	123.3	83%	0.825	79%	0.785	S	S	*	*			cis	172.7	83.9	-7.6	0	0	0	0	0	113.7
44	G	29.4	Very low	31.6	Very low	65 Å²	65	125.1 Å²	125.1	67%	0.67	79%	0.794	S	S	*	*			trans	77.6	-175.9	175.4	0	0	0	0	0	115.1
45	N	32.1	Very low	31.5	Very low	175 Å²	175	122.8 Å²	122.8	94%	0.936	80%	0.796	S	S	*	*			cis	-169.1	155.9	-19	-100.9	-21.6	0	0	0	108.4
46	G	30.1	Very low	31.3	Very low	64 Å²	64	122 Å²	122	66%	0.66	80%	0.796	S	S	*	*			cis	178.1	173.1	-7.4	0	0	0	0	0	112.1
47	A	31	Very low	31	Very low	103 Å²	103	124.6 Å²	124.6	85%	0.851	80%	0.798	S	S	*	*			trans	71	143.6	177.1	0	0	0	0	0	118.5
48	S	31.6	Very low	30.7	Very low	103 Å²	103	124 Å²	124	72%	0.72	80%	0.8	S	S	*	*			cis	-168.1	142.9	-19.5	52.4	0	0	0	0	112.8
49	S	31.5	Very low	30	Very low	128 Å²	128	126.7 Å²	126.7	90%	0.895	81%	0.808	S	S	*	*			trans	56.2	135.2	149.8	-53.8	0	0	0	0	121.3
50	G	27.5	Very low	30.3	Very low	62 Å²	62	121.1 Å²	121.1	64%	0.639	80%	0.799	S	S	*	*			cis	152.8	146.4	-10.5	0	0	0	0	0	114.5
51	Y	29.5	Very low	30.4	Very low	247 Å²	247	123 Å²	123	97%	0.969	80%	0.802	S	S	*	*			trans	54.9	144.5	162.8	-62.2	-89	0	0	0	119.2
52	G	26.3	Very low	29.3	Very low	76 Å²	76	126 Å²	126	78%	0.784	81%	0.805	S	S	*	*			cis	-174.3	174.1	-4.1	0	0	0	0	0	107.6
53	G	25.2	Very low	29	Very low	68 Å²	68	124.7 Å²	124.7	70%	0.701	80%	0.802	S	S	*	*			cis	118.5	97.2	6.2	0	0	0	0	0	112
54	Y	27	Very low	28.9	Very low	249 Å²	249	124.4 Å²	124.4	98%	0.976	80%	0.799	S	S	*	*			trans	-169.4	173.3	152.5	-105.6	-63.4	0	0	0	112
55	S	25.4	Very low	28.8	Very low	112 Å²	112	126.1 Å²	126.1	78%	0.783	81%	0.807	S	S	*	*			trans	-146.4	154.5	-164.6	173.8	0	0	0	0	111.4
56	S	27.6	Very low	28.7	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	80%	0.801	S	S	*	*				177.4	177.7	126.9	-156.5	0	0	0	0	113.2
57	Q	28.5	Very low	29	Very low	167 Å²	167	127 Å²	127	78%	0.78	81%	0.809	S	S	*	*			trans	-87.6	165	-172.4	-57.8	163.2	0.2	0	0	112.3
58	T	28.9	Very low	29.1	Very low	140 Å²	140	128.3 Å²	128.3	86%	0.859	81%	0.806	S	S	*	*				-179.7	162.3	92	29.8	0	0	0	0	113.4
59	L	27.4	Very low	29.6	Very low	163 Å²	163	129.1 Å²	129.1	85%	0.853	81%	0.809	S	S	*	*			trans	-91.9	168.8	167.5	-91.4	164	0	0	0	110
60	P	38.9	Very low	29.5	Very low	109 Å²	109	134 Å²	134	71%	0.708	81%	0.808	S	S	*	*			cis	-156.9	-179.6	42.7	45.2	-22.9	0	0	0	120.7
61	S	27.8	Very low	29.7	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	81%	0.813	S	S	*	*			trans	58.2	113.1	142.3	-66	0	0	0	0	125.7
62	Q	28.5	Very low	29.6	Very low	188 Å²	188	134.1 Å²	134.1	88%	0.879	81%	0.806	S	S	*	*				58.3	133	126.6	-72.9	-161	6.6	0	0	125.6
63	A	26.9	Very low	29.9	Very low	102 Å²	102	134.4 Å²	134.4	84%	0.843	80%	0.801	S	S	*	*			trans	77.5	144.4	135.5	0	0	0	0	0	122.3
64	G	25.8	Very low	30.2	Very low	74 Å²	74	140.5 Å²	140.5	76%	0.763	81%	0.808	S	S	*	*			trans	129.8	74.3	144.9	0	0	0	0	0	120.7
65	A	27.4	Very low	30.4	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	79%	0.794	S	S	*	*			trans	54.7	147.9	143	0	0	0	0	0	124.3
66	T	29.6	Very low	30.8	Very low	133 Å²	133	135.8 Å²	135.8	82%	0.816	79%	0.789	S	S	*	*			trans	-52.4	155	167.9	54.1	0	0	0	0	115.8
67	P	36.8	Very low	31.9	Very low	125 Å²	125	136.2 Å²	136.2	81%	0.812	79%	0.789	S	S	*	*				-147.3	170.4	88.9	38.8	-21.9	0	0	0	117.2
68	T	33.8	Very low	32.1	Very low	130 Å²	130	134.3 Å²	134.3	80%	0.798	79%	0.789	S	S	*	*			trans	-96.5	164.9	169.5	66.3	0	0	0	0	111.2
69	P	40.9	Very low	32.1	Very low	120 Å²	120	131 Å²	131	78%	0.779	78%	0.782	S	S	*	*				-155.6	148.7	100	37.9	-18.7	0	0	0	119.3
70	R	30.5	Very low	32.4	Very low	232 Å²	232	134 Å²	134	88%	0.875	78%	0.782	S	S	*	*			trans	23.1	135.9	143	-70	177.4	163	174.4	-4.4	122.5
71	T	30.2	Very low	32.1	Very low	120 Å²	120	135 Å²	135	74%	0.736	78%	0.782	S	S	*	*				-178.5	175.9	100.9	29.1	0	0	0	0	109.2
72	K	29.1	Very low	32.3	Very low	191 Å²	191	136.8 Å²	136.8	83%	0.83	79%	0.788	S	S	*	*			cis	-164.2	169.5	-6	-112	152.9	-173.1	166.6	0	105.4
73	A	31.8	Very low	32.3	Very low	82 Å²	82	130.9 Å²	130.9	68%	0.678	78%	0.777	S	S	*	*			cis	-178.4	178.8	-33.1	0	0	0	0	0	108
74	K	32.1	Very low	33.6	Very low	196 Å²	196	131.5 Å²	131.5	85%	0.852	77%	0.773	S	S	*	*			trans	72.6	153.1	179.1	-67.2	-169.2	178.1	-174.5	0	115.3
75	L	31.1	Very low	34.1	Very low	130 Å²	130	134.4 Å²	134.4	68%	0.681	78%	0.775	S	S	*	*			cis	-152	155	-21.2	-90.2	169.3	0	0	0	105.1
76	I	32.5	Very low	36	Very low	132 Å²	132	135 Å²	135	68%	0.677	77%	0.77	S	S	*	*			cis	78.7	134.5	44.2	-67.1	-175.4	0	0	0	112.4
77	P	50.5	Low	37.3	Very low	121 Å²	121	134.8 Å²	134.8	79%	0.786	77%	0.771	S	S	*	*			cis	-113.2	-139.9	33.6	17.5	7.2	0	0	0	119.4
78	T	33.4	Very low	37.4	Very low	127 Å²	127	138.1 Å²	138.1	78%	0.779	77%	0.773	S	S	*	*			trans	-162.1	149.5	-131.7	49.3	0	0	0	0	116.2
79	G	29.4	Very low	38.2	Very low	69 Å²	69	137.7 Å²	137.7	71%	0.711	77%	0.773	S	S	*	*			trans	169.9	125.8	156	0	0	0	0	0	111
80	R	33.5	Very low	38	Very low	227 Å²	227	138.2 Å²	138.2	86%	0.857	77%	0.774	S	S	*	*			cis	82.8	134.2	35.7	-69.7	-165.9	161.7	177.2	-4.9	114.8
81	D	33.2	Very low	39	Very low	130 Å²	130	133.4 Å²	133.4	70%	0.695	77%	0.772	S	S	*	*			cis	-150.8	-157.9	-15.5	-78.1	-42	0	0	0	106.3
82	V	31.7	Very low	39.1	Very low	143 Å²	143	130.9 Å²	130.9	87%	0.867	77%	0.77	S	S	*	*			cis	-157.4	178.4	12	-163.7	0	0	0	0	109
83	G	28.8	Very low	39.1	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	77%	0.772	S	S	*	*			trans	-104.8	-142.5	166.9	0	0	0	0	0	114.1
84	P	54.2	Low	38.9	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	78%	0.777	S	S	*	*			cis	-150.3	146.1	-13.3	39.8	-18.5	0	0	0	119.7
85	V	35.8	Very low	38.8	Very low	135 Å²	135	130.8 Å²	130.8	82%	0.818	77%	0.771	S	S	*	*			trans	62.8	168	135.2	-167.6	0	0	0	0	120.4
86	P	67.3	Low	39.4	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	77%	0.769	S	S	*	*				-111.3	-161.9	-74.5	46.2	-26.7	0	0	0	114.3
87	P	56.6	Low	39.2	Very low	129 Å²	129	132 Å²	132	84%	0.838	78%	0.776	S	S	*	*				-149.4	-155.9	71.7	40.5	-16.8	0	0	0	116.5
88	K	38.9	Very low	38.1	Very low	195 Å²	195	133.1 Å²	133.1	85%	0.848	78%	0.775	S	S	*	*			trans	-122.8	169.2	-166.9	-114.9	177	-173.2	178.5	0	111.6
89	P	49.8	Very low	37.7	Very low	121 Å²	121	134.6 Å²	134.6	79%	0.786	78%	0.778	S	S	*	*				-156.1	-173.6	66.8	42.6	-20.3	0	0	0	118.3
90	V	37.8	Very low	37.6	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	78%	0.784	S	S	*	*			trans	-152.6	151.5	175	-161.8	0	0	0	0	110.4
91	P	50.5	Low	37.3	Very low	131 Å²	131	130.3 Å²	130.3	85%	0.851	79%	0.785	S	S	*	*			trans	-142.8	160.4	138.8	38.3	-24.7	0	0	0	114.4
92	G	33.8	Very low	37	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	79%	0.789	S	S	*	*			cis	161.3	156.2	-10.6	0	0	0	0	0	114.8
93	K	28	Very low	37.1	Very low	201 Å²	201	126.8 Å²	126.8	87%	0.874	79%	0.786	S	S	*	*			trans	87	126.6	177.9	-52.5	173.9	-177.3	177.9	0	115.5
94	N	28.9	Very low	37	Very low	145 Å²	145	129.1 Å²	129.1	78%	0.775	79%	0.793	S	S	*	*			cis	83.9	137.7	27.3	-63.1	7.5	0	0	0	113.7
95	T	28.4	Very low	35.6	Very low	120 Å²	120	135.3 Å²	135.3	74%	0.736	80%	0.801	S	S	*	*			cis	-177.9	-174.1	8	16	0	0	0	0	109.6
96	P	45.3	Very low	35.2	Very low	98 Å²	98	139.6 Å²	139.6	64%	0.636	80%	0.803	S	S	*	*			cis	-141.7	-178.1	-23.6	35.8	-15.6	0	0	0	116.9
97	K	26.8	Very low	34.2	Very low	189 Å²	189	139.2 Å²	139.2	82%	0.822	80%	0.8	S	S	*	*			trans	74	154.5	151.8	-78.1	166.6	-176.7	179.7	0	118
98	L	27.1	Very low	32.7	Very low	145 Å²	145	141.2 Å²	141.2	76%	0.759	80%	0.798	S	S	*	*			cis	-145.5	-175.4	8.1	-130.5	164	0	0	0	112.2
99	N	26.1	Very low	31.9	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	79%	0.794	S	S	*	*			trans	-70.8	165.8	-178.6	-61.2	-9.7	0	0	0	113.9
100	G	26.2	Very low	30.8	Very low	82 Å²	82	138.7 Å²	138.7	85%	0.845	80%	0.801	S	S	*	*			trans	153.4	110	145.5	0	0	0	0	0	116.7
101	S	27.3	Very low	30.2	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	80%	0.799	S	S	*	*			trans	-80.3	139.3	174.6	51.2	0	0	0	0	114.3
102	G	27.1	Very low	29	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	80%	0.797	S	S	*	*			trans	96.4	120.7	146.2	0	0	0	0	0	118
103	P	34.8	Very low	28.7	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	80%	0.802	S	S	*	*			trans	-104.8	140.3	169.2	36.4	-29.1	0	0	0	113
104	S	26.8	Very low	28.5	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	80%	0.799	S	S	*	*			trans	177.4	103.8	144.5	36.2	0	0	0	0	113.6
105	W	25.2	Very low	28.4	Very low	245 Å²	245	140.7 Å²	140.7	93%	0.928	79%	0.79	S	S	*	*				-172.7	171.9	124.3	-107.9	34.3	0	0	0	112.9
106	W	26.3	Very low	28.2	Very low	225 Å²	225	147.1 Å²	147.1	85%	0.852	80%	0.801	S	S	*	*			trans	-88	-177.5	-163.6	-61	88.6	0	0	0	112.6
107	P	46.2	Very low	27.2	Very low	104 Å²	104	152.4 Å²	152.4	68%	0.675	81%	0.81	S	S	*	*			cis	-132.5	-159.2	11.2	43.3	-21.6	0	0	0	113
108	E	24.9	Very low	27.3	Very low	171 Å²	171	151.4 Å²	151.4	80%	0.799	81%	0.808	S	S	*	*			cis	-145.8	-110.2	7	-163.9	134.9	-74.5	0	0	114.3
109	C	23.2	Very low	27.2	Very low	113 Å²	113	153.1 Å²	153.1	76%	0.764	81%	0.812	S	S	*	*			trans	-152.6	158.2	-168.6	-75.5	0	0	0	0	112.7
110	T	25.9	Very low	27.2	Very low	151 Å²	151	150 Å²	150	93%	0.926	81%	0.808	S	S	*	*			trans	-172.2	168.1	137	12	0	0	0	0	111.4
111	C	24.6	Very low	27.3	Very low	112 Å²	112	151.7 Å²	151.7	76%	0.757	81%	0.807	S	S	*	*			trans	-143.8	147.6	-177.8	55.1	0	0	0	0	111.2
112	T	27	Very low	27.6	Very low	133 Å²	133	151.9 Å²	151.9	82%	0.816	81%	0.805	S	S	*	*			trans	178.8	157.9	148.7	25.6	0	0	0	0	112.4
113	N	26.2	Very low	27.7	Very low	147 Å²	147	152.6 Å²	152.6	79%	0.786	80%	0.804	S	S	*	*			trans	-1.8	152.7	150.8	-51.9	-23	0	0	0	118.5
114	R	24.9	Very low	27.6	Very low	216 Å²	216	153 Å²	153	82%	0.815	81%	0.806	S	S	*	*				-172.8	156.7	54	-170.2	167.7	-179.7	-173.8	-4.2	115.9
115	D	25.6	Very low	27.6	Very low	109 Å²	109	155.5 Å²	155.5	58%	0.583	81%	0.81	S	S	*	*			trans	-13.9	141.9	164.4	-21.1	-38.5	0	0	0	120.3
116	W	24.6	Very low	28	Very low	255 Å²	255	151.2 Å²	151.2	97%	0.966	80%	0.804	S	S	*	*			trans	-150	107	135.7	-91.3	89.6	0	0	0	110.5
117	Y	24.5	Very low	28	Very low	210 Å²	210	147 Å²	147	82%	0.824	80%	0.803	S	S	*	*			trans	-79.6	162.3	147.1	-101.5	-102.4	0	0	0	106.7
118	E	27.9	Very low	27.2	Very low	167 Å²	167	148.5 Å²	148.5	78%	0.78	81%	0.805	S	S	*	*			cis	-153	-178.4	35.1	-127.8	174.2	-164.4	0	0	106.9
119	Q	26.7	Very low	27.4	Very low	182 Å²	182	145.5 Å²	145.5	85%	0.85	80%	0.801	S	S	*	*			cis	-155.9	167.8	45.4	-70.9	177.3	-27.9	0	0	110.3
120	A	24.6	Very low	27.7	Very low	93 Å²	93	148.5 Å²	148.5	77%	0.769	80%	0.804	S	S	*	*			trans	-143	168.4	-177.6	0	0	0	0	0	114.3
121	S	28.3	Very low	27.7	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	80%	0.797	S	S	*	*			trans	108.9	154	157	-49.4	0	0	0	0	116.9
122	P	34	Very low	27.9	Very low	128 Å²	128	149.1 Å²	149.1	83%	0.831	81%	0.806	S	S	*	*			cis	-126.3	-174.4	-18.6	31.4	-11	0	0	0	113.4
123	A	29.8	Very low	27.8	Very low	92 Å²	92	151.3 Å²	151.3	76%	0.76	81%	0.807	S	S	*	*			trans	-110.1	158.4	175.6	0	0	0	0	0	113.2
124	P	32.4	Very low	28.2	Very low	130 Å²	130	148.9 Å²	148.9	84%	0.844	80%	0.799	S	S	*	*			trans	-94.1	178.1	167.6	37.1	-32.5	0	0	0	113.4
125	L	27.2	Very low	28.1	Very low	167 Å²	167	143.6 Å²	143.6	87%	0.874	80%	0.795	S	S	*	*			trans	-109.6	172.8	-159.8	-70.3	163	0	0	0	115.5
126	L	34.1	Very low	28.2	Very low	154 Å²	154	146.6 Å²	146.6	81%	0.806	81%	0.81	S	S	*	*			trans	-61.6	153.4	178.5	-70.2	82.1	0	0	0	114.1
127	V	26	Very low	28.5	Very low	137 Å²	137	139.6 Å²	139.6	83%	0.83	80%	0.8	S	S	*	*			trans	-136.8	133.5	140.5	-176	0	0	0	0	108.5
128	N	28.6	Very low	28.7	Very low	135 Å²	135	135.5 Å²	135.5	72%	0.722	80%	0.797	S	S	*	*			trans	-150.1	122.7	167.1	-169.8	62	0	0	0	109.2
129	P	30.3	Very low	28.9	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	80%	0.803	S	S	*	*			trans	-122.8	128.8	165.6	33.2	-18.6	0	0	0	111.8
130	E	27.7	Very low	29.2	Very low	177 Å²	177	129.6 Å²	129.6	83%	0.827	79%	0.79	S	S	*	*			trans	-75	155.1	172.9	-60.4	139	119.8	0	0	111.6
131	A	27.3	Very low	29.8	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	79%	0.785	S	S	*	*				169.8	102.6	128.6	0	0	0	0	0	112.4
132	L	27.9	Very low	30.7	Very low	181 Å²	181	130 Å²	130	95%	0.948	78%	0.778	S	S	*	*			trans	-163.5	130.7	136.1	-108.6	163	0	0	0	109
133	E	26.2	Very low	31.5	Very low	180 Å²	180	126.9 Å²	126.9	84%	0.841	77%	0.768	S	S	*	*			trans	-77.5	158.5	-164.2	-86	-80.7	97.7	0	0	114.5
134	P	34.3	Very low	32.7	Very low	96 Å²	96	125.8 Å²	125.8	62%	0.623	75%	0.748	S	S	*	*			trans	-92.8	159	-174.8	37.5	-35.2	0	0	0	113.4
135	S	22.5	Very low	34.5	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	72%	0.719	S	S	*	*				168.1	124	118	45.9	0	0	0	0	113.5
136	L	26.9	Very low	37.1	Very low	173 Å²	173	118.6 Å²	118.6	91%	0.906	70%	0.697	S	S	*	*			trans	-144.5	63.8	143.3	-103.9	177.8	0	0	0	107.4	V138	L136-V138 PolarHBondContact O-N 3.41Å
137	S	30.6	Very low	39.6	Very low	108 Å²	108	117.3 Å²	117.3	76%	0.755	68%	0.682	S	S	*	*			trans	-73.5	113.3	-178.5	52.3	0	0	0	0	110.9
138	V	29.3	Very low	42.5	Very low	124 Å²	124	112.7 Å²	112.7	75%	0.752	65%	0.651	S	S	*	*			trans	-108.8	130.8	167.5	-176.9	0	0	0	0	107.8	L136 G140	L136-V138 PolarHBondContact O-N 3.41Å; V138-G140 PolarHBondContact O-N 3.05Å
139	N	31.5	Very low	45.5	Very low	168 Å²	168	110.2 Å²	110.2	90%	0.898	64%	0.636	S	S	*	*			trans	-71.8	120.3	-169.3	-82.7	-28.5	0	0	0	113.2
140	G	34	Very low	48.5	Very low	56 Å²	56	105.1 Å²	105.1	58%	0.577	60%	0.602	S	S	*	*	S	Bend	trans	122	138.2	152.3	0	0	0	0	0	116.1	V138	V138-G140 PolarHBondContact O-N 3.05Å
141	S	37.9	Very low	51.7	Low	97 Å²	97	99.5 Å²	99.5	68%	0.678	58%	0.58	S	S	*	*			trans	73.4	9.5	169.3	78.4	0	0	0	0	119.8	G143 M144	S141-G143 PolarHBondContact O-N 3.21Å; S141-M144 PolarHBondContact O-N 2.76Å
142	D	45.7	Very low	54.8	Low	122 Å²	122	95.2 Å²	95.2	65%	0.652	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-11.8	179.9	-97.5	-18.8	0	0	0	117.1
143	G	50.9	Low	57.6	Low	61 Å²	61	93.6 Å²	93.6	63%	0.629	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.7	174.1	0	0	0	0	0	115.7	S141	S141-G143 PolarHBondContact O-N 3.21Å
144	M	56	Low	60.6	Low	69 Å²	69	89.3 Å²	89.3	34%	0.34	51%	0.508	S	S	.	.	S	Bend	trans	-104.8	-6	-172.5	-146.2	-172	-149.6	0	0	115.1	S141 R235 Q236 P238	S141-M144 PolarHBondContact O-N 2.76Å; M144-R235 VanDerWaalsContact CE-NH2 3.31Å; M144-R235 HydrophobicContact CG-CG 4.42Å; M144-R235 CarbonylContact O-C 3.27Å; M144-R235 WeakPolarHBondContact O-CA 3.44Å; M144-R235 WeakPolarHBondContact O-CG 3.39Å; M144-R235 PolarHBondContact SD-NH2 2.99Å; M144-Q236 PolarHBondContact O-N 3.43Å; M144-P238 HydrophobicContact CE-CG 4.32Å
145	F	70.4	Confident	62.8	Low	54 Å²	54	86.4 Å²	86.4	24%	0.237	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.6	-179.4	-65.3	-86.5	0	0	0	111	Y147 R234 R235 Q236	F145-Y147 HydrophobicContact CB-CE2 4.18Å; F145-R234 CarbonylContact C-O 3.55Å; F145-R234 WeakPolarHBondContact CA-O 3.29Å; F145-R235 HydrophobicContact CD1-CB 4.07Å; F145-R235 HydrophobicContact CD1-CG 4.23Å; F145-R235 HydrophobicContact CE1-CB 3.87Å; F145-R235 HydrophobicContact CE1-CG 3.84Å; F145-R235 HydrophobicContact CZ-CG 4.23Å; F145-Q236 PolarHBondContact O-NE2 2.88Å; F145-Q236 VanDerWaalsContact O-NE2 3.09Å
146	K	81	Confident	65.2	Low	92 Å²	92	90.3 Å²	90.3	40%	0.4	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.3	168.3	-172.2	-170.1	180	-163.8	0	106.7	E148 R233 R234 Q236	K146-E148 WeakPolarHBondContact CE-OE2 3.44Å; K146-E148 IonicContact NZ-OE2 2.78Å; K146-E148 PolarHBondContact NZ-OE2 3.08Å; K146-R233 WeakPolarHBondContact O-CA 3.36Å; K146-R234 PolarHBondContact N-O 2.92Å; K146-R234 PolarHBondContact O-N 2.89Å; K146-Q236 HydrophobicContact CB-CG 3.69Å
147	Y	86.4	Confident	67.4	Low	128 Å²	128	86.3 Å²	86.3	50%	0.502	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.7	168.4	-61.6	-94.8	0	0	0	107.9	F145 L202 V232 R233	F145-Y147 HydrophobicContact CB-CE2 4.18Å; Y147-L202 HydrophobicContact CD1-CD1 3.89Å; Y147-L202 HydrophobicContact CE1-CD1 3.57Å; Y147-V232 WeakPolarHBondContact CA-O 3.44Å; Y147-R233 HydrophobicContact CD1-CB 4.14Å; Y147-R233 HydrophobicContact CE1-CB 3.94Å
148	E	87.5	Confident	70.1	Confident	40 Å²	40	82.3 Å²	82.3	19%	0.187	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.6	179.2	-168.5	160	170.4	0	0	110.5	K146 I150 V232	K146-E148 WeakPolarHBondContact CE-OE2 3.44Å; K146-E148 IonicContact NZ-OE2 2.78Å; K146-E148 PolarHBondContact NZ-OE2 3.08Å; E148-I150 HydrophobicContact CG-CG1 4.19Å; E148-V232 HydrophobicContact CB-CG2 4.22Å; E148-V232 PolarHBondContact N-O 3.04Å; E148-V232 PolarHBondContact O-N 3.08Å
149	E	91.9	Very high	72.9	Confident	83 Å²	83	77.3 Å²	77.3	39%	0.388	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.7	179.3	-167.2	-172.7	115.8	0	0	109.8	R194 R229 L230 V231	E149-R194 PolarHBondContact O-NH1 2.98Å; E149-R229 VanDerWaalsContact CD-NH2 3.3Å; E149-R229 HydrophobicContact CG-CG 4.06Å; E149-R229 IonicContact OE1-CZ 3.29Å; E149-R229 IonicContact OE1-NE 3.06Å; E149-R229 PolarHBondContact OE1-NE 2.94Å; E149-R229 IonicContact OE1-NH2 2.68Å; E149-R229 PolarHBondContact OE1-NH2 3.47Å; E149-R229 VanDerWaalsContact OE1-NH2 3.12Å; E149-R229 IonicContact OE2-CZ 2.6Å; E149-R229 IonicContact OE2-NE 3.49Å; E149-R229 PolarHBondContact OE2-NE 3.11Å; E149-R229 IonicContact OE2-NH2 3.46Å; E149-R229 PolarHBondContact OE2-NH2 3.35Å; E149-L230 WeakPolarHBondContact CA-O 3.41Å; E149-V231 HydrophobicContact CG-CG2 4.43Å
150	I	93.6	Very high	75.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.8	-171.7	-53.9	174.7	0	0	0	108.2	E148 L152 R194 L195 L230 V232	E148-I150 HydrophobicContact CG-CG1 4.19Å; I150-L152 HydrophobicContact CG2-CD2 3.8Å; I150-L152 HydrophobicContact CG2-CG 3.97Å; I150-R194 HydrophobicContact CD1-CB 3.9Å; I150-R194 HydrophobicContact CG1-CB 4.13Å; I150-R194 HydrophobicContact CG2-CB 4.29Å; I150-L195 HydrophobicContact CD1-CB 4Å; I150-L195 HydrophobicContact CD1-CD1 3.86Å; I150-L230 PolarHBondContact N-O 3.19Å; I150-L230 PolarHBondContact O-N 3.3Å; I150-V232 HydrophobicContact CD1-CG2 3.97Å
151	V	93.5	Very high	78.5	Confident	60 Å²	60	68 Å²	68	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.5	175.6	-179.1	0	0	0	0	108.5	R194 V227 V228 R229	V151-R194 PolarHBondContact O-NH2 2.7Å; V151-V227 HydrophobicContact CG1-CG1 3.46Å; V151-V227 VanDerWaalsContact CG1-CG1 3.46Å; V151-V228 WeakPolarHBondContact CA-O 3.43Å; V151-R229 HydrophobicContact CG2-CB 4.27Å; V151-R229 HydrophobicContact CG2-CG 4.12Å
152	L	91.9	Very high	81.1	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.2	-179.2	-61.7	178.7	0	0	0	110.9	I150 L159 F161 A189 D192 L195 V228 L230	I150-L152 HydrophobicContact CG2-CD2 3.8Å; I150-L152 HydrophobicContact CG2-CG 3.97Å; L152-L159 HydrophobicContact CB-CD2 4.21Å; L152-F161 HydrophobicContact CD1-CD1 4.35Å; L152-F161 HydrophobicContact CD1-CE1 3.97Å; L152-A189 HydrophobicContact CD1-CB 3.9Å; L152-D192 HydrophobicContact CD2-CB 3.46Å; L152-D192 VanDerWaalsContact CD2-CB 3.46Å; L152-L195 HydrophobicContact CD1-CD2 4.15Å; L152-V228 PolarHBondContact N-O 2.92Å; L152-V228 PolarHBondContact O-N 3.38Å; L152-L230 HydrophobicContact CD1-CD1 4.01Å
153	E	88.6	Confident	83.3	Confident	148 Å²	148	61.1 Å²	61.1	69%	0.692	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.5	168.9	-58.1	-164.6	150.4	0	0	110.7	G155 A188 P226 V227	E153-G155 PolarHBondContact O-N 3.34Å; E153-A188 WeakPolarHBondContact O-CB 3.25Å; E153-P226 WeakPolarHBondContact CA-O 3.18Å; E153-V227 HydrophobicContact CG-CG2 4.38Å
154	R	88.5	Confident	85.1	Confident	90 Å²	90	59.1 Å²	59.1	34%	0.34	31%	0.312	S	S	.	.			trans	-79.6	101.5	-176.1	-169.9	-176	-57.6	-136.4	-7.9	110.4	L159 L221 K222 G225 P226	R154-L159 HydrophobicContact CB-CD2 4.15Å; R154-L159 HydrophobicContact CG-CD2 4.38Å; R154-L221 PolarHBondContact NH2-O 3.29Å; R154-K222 PolarHBondContact NH1-O 3.37Å; R154-K222 PolarHBondContact NH2-O 3.07Å; R154-G225 PolarHBondContact NE-O 3.46Å; R154-G225 PolarHBondContact NH2-O 2.72Å; R154-P226 PolarHBondContact N-O 3.12Å
155	G	79.8	Confident	86.7	Confident	34 Å²	34	55.9 Å²	55.9	35%	0.351	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-69.9	175.8	174.1	0	0	0	0	0	113.7	E153 S157 G158	E153-G155 PolarHBondContact O-N 3.34Å; G155-S157 PolarHBondContact O-N 2.91Å; G155-G158 PolarHBondContact N-O 3.1Å; G155-G158 WeakPolarHBondContact O-CA 3.4Å; G155-G158 PolarHBondContact O-N 3.42Å
156	N	73.3	Confident	87.5	Confident	187 Å²	187	53.3 Å²	53.3	100%	1	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.6	-178.8	-68	-8.7	0	0	0	114.4
157	S	72.8	Confident	87.8	Confident	89 Å²	89	53.4 Å²	53.4	62%	0.622	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	13.4	175.7	52.5	0	0	0	0	113.4	G155	G155-S157 PolarHBondContact O-N 2.91Å
158	G	86.8	Confident	87.8	Confident	24 Å²	24	51.7 Å²	51.7	25%	0.247	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	84.5	-152.3	-172.3	0	0	0	0	0	112.7	G155 G160	G155-G158 PolarHBondContact N-O 3.1Å; G155-G158 WeakPolarHBondContact O-CA 3.4Å; G155-G158 PolarHBondContact O-N 3.42Å; G158-G160 VanDerWaalsContact C-N 3.32Å; G158-G160 PolarHBondContact O-N 3.41Å
159	L	88.8	Confident	87.5	Confident	18 Å²	18	54.8 Å²	54.8	9%	0.094	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.1	-176.9	-59.9	171.6	0	0	0	113.9	L152 R154 F161 A189 L221 V228	L152-L159 HydrophobicContact CB-CD2 4.21Å; R154-L159 HydrophobicContact CB-CD2 4.15Å; R154-L159 HydrophobicContact CG-CD2 4.38Å; L159-F161 HydrophobicContact CB-CD1 3.73Å; L159-F161 HydrophobicContact CB-CE1 3.44Å; L159-F161 VanDerWaalsContact CB-CE1 3.44Å; L159-F161 HydrophobicContact CB-CZ 4.27Å; L159-F161 HydrophobicContact CD1-CE1 3.77Å; L159-F161 HydrophobicContact CD1-CZ 3.89Å; L159-F161 HydrophobicContact CG-CE1 4.22Å; L159-A189 WeakPolarHBondContact O-CB 3.26Å; L159-A189 PolarHBondContact O-N 3.2Å; L159-L221 HydrophobicContact CD1-CD2 3.98Å; L159-V228 HydrophobicContact CD1-CB 4.19Å; L159-V228 HydrophobicContact CD1-CG1 4.05Å; L159-V228 HydrophobicContact CD1-CG2 4.08Å; L159-V228 HydrophobicContact CD2-CB 3.94Å; L159-V228 HydrophobicContact CD2-CG2 3.75Å; L159-V228 HydrophobicContact CG-CG2 4.47Å
160	G	89.6	Confident	87.2	Confident	4 Å²	4	54.3 Å²	54.3	4%	0.041	31%	0.31	C	S	.	.	S	Bend	trans	76.4	28	175.7	0	0	0	0	0	115.4	G158 I184	G158-G160 VanDerWaalsContact C-N 3.32Å; G158-G160 PolarHBondContact O-N 3.41Å; G160-I184 WeakPolarHBondContact O-CB 3.34Å; G160-I184 PolarHBondContact O-N 2.81Å
161	F	93.3	Very high	86.7	Confident	25 Å²	25	58.6 Å²	58.6	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	172.5	172.9	64.5	-99.1	0	0	0	112.6	L152 L159 I163 I180 K182 I183 A189 L195 L221 L230	L152-F161 HydrophobicContact CD1-CD1 4.35Å; L152-F161 HydrophobicContact CD1-CE1 3.97Å; L159-F161 HydrophobicContact CB-CD1 3.73Å; L159-F161 HydrophobicContact CB-CE1 3.44Å; L159-F161 VanDerWaalsContact CB-CE1 3.44Å; L159-F161 HydrophobicContact CB-CZ 4.27Å; L159-F161 HydrophobicContact CD1-CE1 3.77Å; L159-F161 HydrophobicContact CD1-CZ 3.89Å; L159-F161 HydrophobicContact CG-CE1 4.22Å; F161-I163 HydrophobicContact CD2-CG2 4.11Å; F161-I163 HydrophobicContact CE2-CG2 3.91Å; F161-I180 HydrophobicContact CB-CG2 4.33Å; F161-I180 HydrophobicContact CD2-CD1 3.41Å; F161-I180 VanDerWaalsContact CD2-CD1 3.41Å; F161-I180 HydrophobicContact CE2-CD1 3.55Å; F161-I180 HydrophobicContact CG-CD1 4.07Å; F161-I180 HydrophobicContact CZ-CD1 4.29Å; F161-K182 CarbonylContact C-O 3.54Å; F161-K182 WeakPolarHBondContact CA-O 3.46Å; F161-K182 WeakPolarHBondContact CB-O 3.26Å; F161-I183 HydrophobicContact CB-CD1 3.87Å; F161-A189 HydrophobicContact CB-CB 4.45Å; F161-A189 HydrophobicContact CD1-CB 3.95Å; F161-L195 HydrophobicContact CB-CD2 4.3Å; F161-L195 HydrophobicContact CD1-CD2 3.5Å; F161-L195 VanDerWaalsContact CD1-CD2 3.5Å; F161-L195 HydrophobicContact CE1-CD2 3.77Å; F161-L195 HydrophobicContact CG-CD2 3.9Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; F161-L221 HydrophobicContact CE2-CD1 4.06Å; F161-L221 HydrophobicContact CE2-CD2 4.3Å; F161-L221 HydrophobicContact CZ-CD1 4.39Å; F161-L221 HydrophobicContact CZ-CD2 3.8Å; F161-L230 HydrophobicContact CE1-CD1 3.85Å; F161-L230 HydrophobicContact CZ-CD1 3.8Å
162	S	92.1	Very high	86.1	Confident	46 Å²	46	58.4 Å²	58.4	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.4	175.4	-53.3	0	0	0	0	110.6	I180 T181 K182	S162-I180 CarbonylContact O-C 3.51Å; S162-I180 WeakPolarHBondContact O-CA 3.36Å; S162-T181 PolarHBondContact O-N 3.49Å; S162-T181 PolarHBondContact O-OG1 3.25Å; S162-K182 PolarHBondContact N-O 3.36Å
163	I	93.5	Very high	84.9	Confident	28 Å²	28	63.6 Å²	63.6	14%	0.144	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.2	177.7	53.3	161	0	0	0	112.5	F161 I178 F179 I180 A217 V218 L221	F161-I163 HydrophobicContact CD2-CG2 4.11Å; F161-I163 HydrophobicContact CE2-CG2 3.91Å; I163-I178 HydrophobicContact CB-CG2 3.86Å; I163-I178 HydrophobicContact CD1-CG2 3.73Å; I163-I178 HydrophobicContact CG1-CG2 4.42Å; I163-I178 HydrophobicContact CG2-CG2 3.85Å; I163-F179 CarbonylContact C-O 3.56Å; I163-F179 WeakPolarHBondContact CA-O 3.48Å; I163-I180 HydrophobicContact CG2-CD1 3.93Å; I163-A217 HydrophobicContact CD1-CB 4.14Å; I163-V218 HydrophobicContact CD1-CG2 3.86Å; I163-V218 HydrophobicContact CG1-CG2 4.48Å; I163-L221 HydrophobicContact CD1-CD1 3.75Å; I163-L221 HydrophobicContact CG1-CD1 4.34Å; I163-L221 HydrophobicContact CG2-CD1 4.4Å
164	A	87.3	Confident	84.3	Confident	20 Å²	20	63 Å²	63	17%	0.165	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	175.9	163.1	0	0	0	0	0	109.5	H171 F179 T181	A164-H171 HydrophobicContact CB-CB 4.1Å; A164-F179 PolarHBondContact N-O 3.32Å; A164-F179 PolarHBondContact O-N 3.4Å; A164-T181 HydrophobicContact CB-CG2 3.44Å; A164-T181 VanDerWaalsContact CB-CG2 3.44Å
165	G	89.1	Confident	84	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-175.7	-176.5	0	0	0	0	0	112.9	N169 G177 I178 H214	G165-N169 CarbonylContact C-O 3.56Å; G165-N169 VanDerWaalsContact CA-O 3.27Å; G165-N169 WeakPolarHBondContact CA-O 3.46Å; G165-G177 WeakPolarHBondContact CA-O 3.4Å; G165-I178 WeakPolarHBondContact O-CD1 3.38Å; G165-H214 WeakPolarHBondContact O-CB 3.39Å; G165-H214 PolarHBondContact O-ND1 2.82Å
166	G	88.8	Confident	84.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.352	C	S	.	.			trans	115	155	-165.9	0	0	0	0	0	111.5	D168 N169 P170 P176 G177 V212	G166-D168 PolarHBondContact O-N 2.8Å; G166-D168 VanDerWaalsContact O-N 3.09Å; G166-N169 CarbonylContact O-C 3.59Å; G166-N169 PolarHBondContact O-N 2.7Å; G166-P170 WeakPolarHBondContact O-CD 3.47Å; G166-P170 VanDerWaalsContact O-N 3.12Å; G166-P176 CarbonylContact C-O 3.44Å; G166-P176 VanDerWaalsContact C-O 3.29Å; G166-P176 WeakPolarHBondContact CA-O 3.32Å; G166-P176 PolarHBondContact N-O 3.2Å; G166-G177 PolarHBondContact N-O 2.68Å; G166-V212 CarbonylContact C-O 3.58Å; G166-V212 WeakPolarHBondContact CA-O 3.45Å
167	I	86.8	Confident	85	Confident	95 Å²	95	51.6 Å²	51.6	49%	0.487	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.6	-174.5	65.4	178.5	0	0	0	114	P176 E211 V212 V213	I167-P176 HydrophobicContact CG2-CB 3.69Å; I167-E211 HydrophobicContact CG2-CB 4.47Å; I167-V212 PolarHBondContact N-O 2.95Å; I167-V213 HydrophobicContact CD1-CG1 3.86Å; I167-V213 HydrophobicContact CG1-CB 4.47Å; I167-V213 HydrophobicContact CG1-CG1 3.62Å
168	D	86	Confident	86	Confident	92 Å²	92	47.5 Å²	47.5	49%	0.492	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-21.7	178.4	58	-37.9	0	0	0	113.6	G166 V213 H214	G166-D168 PolarHBondContact O-N 2.8Å; G166-D168 VanDerWaalsContact O-N 3.09Å; D168-V213 HydrophobicContact CB-CB 4.47Å; D168-V213 HydrophobicContact CB-CG1 4.11Å; D168-V213 VanDerWaalsContact OD1-CA 3.29Å; D168-V213 WeakPolarHBondContact OD1-CA 3.35Å; D168-H214 PolarHBondContact OD1-N 2.9Å
169	N	81.6	Confident	86.4	Confident	105 Å²	105	47.3 Å²	47.3	56%	0.561	27%	0.268	S	S	*	.	S	Bend	trans	-154.8	74.5	178.4	-176.8	73.8	0	0	0	111	G165 G166 H171	G165-N169 CarbonylContact C-O 3.56Å; G165-N169 VanDerWaalsContact CA-O 3.27Å; G165-N169 WeakPolarHBondContact CA-O 3.46Å; G166-N169 CarbonylContact O-C 3.59Å; G166-N169 PolarHBondContact O-N 2.7Å; N169-H171 PolarHBondContact O-N 3.17Å
170	P	84.9	Confident	86.6	Confident	72 Å²	72	46.4 Å²	46.4	47%	0.468	26%	0.263	S	S	.	.			trans	-58.3	132.6	-177.8	-26.1	35.8	0	0	0	112.2	G166	G166-P170 WeakPolarHBondContact O-CD 3.47Å; G166-P170 VanDerWaalsContact O-N 3.12Å
171	H	83.8	Confident	86.5	Confident	91 Å²	91	48.6 Å²	48.6	42%	0.421	28%	0.276	S	S	.	.	S	Bend	trans	-85.7	-28.3	179.3	-174.9	44.7	0	0	0	112.5	A164 N169 F179	A164-H171 HydrophobicContact CB-CB 4.1Å; N169-H171 PolarHBondContact O-N 3.17Å; H171-F179 HydrophobicContact CB-CD2 4.15Å
172	V	81.1	Confident	86.2	Confident	56 Å²	56	53.2 Å²	53.2	34%	0.339	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-115.3	135.4	176.4	176.9	0	0	0	0	107.1	D174 D175 F179	V172-D174 PolarHBondContact O-N 3.11Å; V172-D175 HydrophobicContact CB-CB 4.22Å; V172-D175 HydrophobicContact CG1-CB 4.2Å; V172-D175 PolarHBondContact O-N 2.97Å; V172-F179 HydrophobicContact CB-CE2 4.11Å; V172-F179 HydrophobicContact CB-CZ 4.1Å; V172-F179 HydrophobicContact CG2-CD1 4.35Å; V172-F179 HydrophobicContact CG2-CD2 4.17Å; V172-F179 HydrophobicContact CG2-CE1 3.97Å; V172-F179 HydrophobicContact CG2-CE2 3.79Å; V172-F179 HydrophobicContact CG2-CG 4.44Å; V172-F179 HydrophobicContact CG2-CZ 3.68Å
173	P	66.4	Low	86.1	Confident	112 Å²	112	52.8 Å²	52.8	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	136.5	174.3	-25.1	35	0	0	0	111.2	D175	P173-D175 PolarHBondContact O-N 3.34Å; P173-D175 VanDerWaalsContact O-N 3.08Å
174	D	76.3	Confident	85.8	Confident	135 Å²	135	54.8 Å²	54.8	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	12.4	178.8	-51.9	-34.2	0	0	0	116.1	V172 Y339	V172-D174 PolarHBondContact O-N 3.11Å; D174-Y339 PolarHBondContact OD2-OH 3.05Å
175	D	82.9	Confident	85.6	Confident	35 Å²	35	59.5 Å²	59.5	19%	0.187	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-126.2	113.1	170.8	-168.8	-37.9	0	0	0	111.2	V172 P173 G177 F179 R233	V172-D175 HydrophobicContact CB-CB 4.22Å; V172-D175 HydrophobicContact CG1-CB 4.2Å; V172-D175 PolarHBondContact O-N 2.97Å; P173-D175 PolarHBondContact O-N 3.34Å; P173-D175 VanDerWaalsContact O-N 3.08Å; D175-G177 PolarHBondContact O-N 3.32Å; D175-G177 PolarHBondContact OD1-N 2.77Å; D175-F179 HydrophobicContact CB-CZ 4.33Å; D175-R233 IonicContact OD1-CZ 3.4Å; D175-R233 IonicContact OD1-NH1 2.77Å; D175-R233 IonicContact OD1-NH2 2.76Å; D175-R233 PolarHBondContact OD1-NH2 3.39Å; D175-R233 IonicContact OD2-CZ 2.8Å; D175-R233 VanDerWaalsContact OD2-CZ 3.3Å; D175-R233 IonicContact OD2-NH1 2.62Å; D175-R233 PolarHBondContact OD2-NH1 3.14Å; D175-R233 IonicContact OD2-NH2 2.77Å; D175-R233 PolarHBondContact OD2-NH2 3.17Å
176	P	83.7	Confident	85.1	Confident	37 Å²	37	62.4 Å²	62.4	24%	0.24	36%	0.359	C	S	.	.			trans	-75.2	-4.4	-176.8	31.3	-36.2	0	0	0	114.6	G166 I167 E211	G166-P176 CarbonylContact C-O 3.44Å; G166-P176 VanDerWaalsContact C-O 3.29Å; G166-P176 WeakPolarHBondContact CA-O 3.32Å; G166-P176 PolarHBondContact N-O 3.2Å; I167-P176 HydrophobicContact CG2-CB 3.69Å; P176-E211 HydrophobicContact CG-CG 4.24Å
177	G	89.9	Confident	85	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.359	C	S	.	.			trans	-61.3	164.3	-168.7	0	0	0	0	0	115.8	G165 G166 D175 F179	G165-G177 WeakPolarHBondContact CA-O 3.4Å; G166-G177 PolarHBondContact N-O 2.68Å; D175-G177 PolarHBondContact O-N 3.32Å; D175-G177 PolarHBondContact OD1-N 2.77Å; G177-F179 WeakPolarHBondContact O-CD2 3.28Å; G177-F179 VanDerWaalsContact O-CE2 3.3Å; G177-F179 WeakPolarHBondContact O-CE2 3.42Å
178	I	93.9	Very high	85	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122	173.5	-56.4	-65.8	0	0	0	108.9	I163 G165 C200 V201 V209 V212 A217	I163-I178 HydrophobicContact CB-CG2 3.86Å; I163-I178 HydrophobicContact CD1-CG2 3.73Å; I163-I178 HydrophobicContact CG1-CG2 4.42Å; I163-I178 HydrophobicContact CG2-CG2 3.85Å; G165-I178 WeakPolarHBondContact O-CD1 3.38Å; I178-C200 CarbonylContact O-C 3.55Å; I178-C200 WeakPolarHBondContact O-CA 3.43Å; I178-C200 PolarHBondContact O-SG 2.96Å; I178-V201 HydrophobicContact CB-CB 4.47Å; I178-V201 HydrophobicContact CG2-CB 4.41Å; I178-V201 PolarHBondContact O-N 2.83Å; I178-V209 HydrophobicContact CG1-CB 4.43Å; I178-V209 WeakPolarHBondContact CG1-O 3.44Å; I178-V212 HydrophobicContact CD1-CG2 4.43Å; I178-V212 HydrophobicContact CG1-CG2 4.37Å; I178-A217 HydrophobicContact CB-CB 4.5Å; I178-A217 HydrophobicContact CD1-CB 3.47Å; I178-A217 VanDerWaalsContact CD1-CB 3.47Å; I178-A217 HydrophobicContact CG1-CB 3.6Å; I178-A217 HydrophobicContact CG2-CB 4.18Å
179	F	93.8	Very high	85.2	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.088	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139	-174.8	-67.4	-92.6	0	0	0	112.3	I163 A164 H171 V172 D175 G177 T181 D199 C200	I163-F179 CarbonylContact C-O 3.56Å; I163-F179 WeakPolarHBondContact CA-O 3.48Å; A164-F179 PolarHBondContact N-O 3.32Å; A164-F179 PolarHBondContact O-N 3.4Å; H171-F179 HydrophobicContact CB-CD2 4.15Å; V172-F179 HydrophobicContact CB-CE2 4.11Å; V172-F179 HydrophobicContact CB-CZ 4.1Å; V172-F179 HydrophobicContact CG2-CD1 4.35Å; V172-F179 HydrophobicContact CG2-CD2 4.17Å; V172-F179 HydrophobicContact CG2-CE1 3.97Å; V172-F179 HydrophobicContact CG2-CE2 3.79Å; V172-F179 HydrophobicContact CG2-CG 4.44Å; V172-F179 HydrophobicContact CG2-CZ 3.68Å; D175-F179 HydrophobicContact CB-CZ 4.33Å; G177-F179 WeakPolarHBondContact O-CD2 3.28Å; G177-F179 VanDerWaalsContact O-CE2 3.3Å; G177-F179 WeakPolarHBondContact O-CE2 3.42Å; F179-T181 PolarHBondContact O-N 3.49Å; F179-D199 CarbonylContact C-O 3.55Å; F179-D199 WeakPolarHBondContact CA-O 3.19Å; F179-C200 HydrophobicContact CD1-CB 3.77Å; F179-C200 HydrophobicContact CE1-CB 3.63Å; F179-C200 HydrophobicContact CG-CB 4.43Å; F179-C200 HydrophobicContact CZ-CB 4.18Å
180	I	93.2	Very high	85.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	109.8	170.8	-54.9	-65.3	0	0	0	109.3	F161 S162 I163 I183 L195 G196 V197 N198 D199 V201	F161-I180 HydrophobicContact CB-CG2 4.33Å; F161-I180 HydrophobicContact CD2-CD1 3.41Å; F161-I180 VanDerWaalsContact CD2-CD1 3.41Å; F161-I180 HydrophobicContact CE2-CD1 3.55Å; F161-I180 HydrophobicContact CG-CD1 4.07Å; F161-I180 HydrophobicContact CZ-CD1 4.29Å; S162-I180 CarbonylContact O-C 3.51Å; S162-I180 WeakPolarHBondContact O-CA 3.36Å; I163-I180 HydrophobicContact CG2-CD1 3.93Å; I180-I183 HydrophobicContact CG2-CD1 3.76Å; I180-I183 HydrophobicContact CG2-CG1 4.47Å; I180-L195 HydrophobicContact CD1-CD1 4.29Å; I180-L195 HydrophobicContact CD1-CD2 3.94Å; I180-L195 HydrophobicContact CD1-CG 4.38Å; I180-L195 HydrophobicContact CG1-CD1 4.08Å; I180-L195 HydrophobicContact CG1-CD2 4.34Å; I180-L195 HydrophobicContact CG1-CG 4.24Å; I180-G196 VanDerWaalsContact CB-O 3.3Å; I180-G196 WeakPolarHBondContact CB-O 3.11Å; I180-G196 VanDerWaalsContact CG2-O 3.25Å; I180-G196 WeakPolarHBondContact CG2-O 3.28Å; I180-V197 WeakPolarHBondContact O-CA 3.22Å; I180-N198 PolarHBondContact O-N 2.96Å; I180-D199 HydrophobicContact CB-CB 4.44Å; I180-D199 HydrophobicContact CG1-CB 3.95Å; I180-D199 WeakPolarHBondContact CG1-O 3.47Å; I180-D199 PolarHBondContact N-O 2.77Å; I180-V201 HydrophobicContact CD1-CG2 3.74Å; I180-V201 HydrophobicContact CG1-CG2 4.18Å
181	T	88.1	Confident	85.4	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-20.1	-179.8	52.9	0	0	0	0	113.7	S162 A164 F179	S162-T181 PolarHBondContact O-N 3.49Å; S162-T181 PolarHBondContact O-OG1 3.25Å; A164-T181 HydrophobicContact CB-CG2 3.44Å; A164-T181 VanDerWaalsContact CB-CG2 3.44Å; F179-T181 PolarHBondContact O-N 3.49Å
182	K	88.1	Confident	85.7	Confident	121 Å²	121	53.6 Å²	53.6	53%	0.526	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	136.2	-177.7	-171.2	170.8	-176.5	174.3	0	111.9	F161 S162	F161-K182 CarbonylContact C-O 3.54Å; F161-K182 WeakPolarHBondContact CA-O 3.46Å; F161-K182 WeakPolarHBondContact CB-O 3.26Å; S162-K182 PolarHBondContact N-O 3.36Å
183	I	88.8	Confident	85.8	Confident	37 Å²	37	53.7 Å²	53.7	19%	0.19	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.4	161.5	-58.2	-59.2	0	0	0	108.3	F161 I180 A189 A190 L195 V197	F161-I183 HydrophobicContact CB-CD1 3.87Å; I180-I183 HydrophobicContact CG2-CD1 3.76Å; I180-I183 HydrophobicContact CG2-CG1 4.47Å; I183-A189 HydrophobicContact CD1-CB 4.15Å; I183-A190 HydrophobicContact CG2-CB 3.61Å; I183-L195 HydrophobicContact CD1-CB 4.38Å; I183-L195 HydrophobicContact CD1-CD2 4.05Å; I183-L195 HydrophobicContact CD1-CG 4.1Å; I183-L195 WeakPolarHBondContact CD1-O 3.36Å; I183-V197 HydrophobicContact CG1-CG2 4.09Å
184	I	86.9	Confident	86.7	Confident	71 Å²	71	52.9 Å²	52.9	36%	0.364	31%	0.312	S	S	.	.			trans	-97.5	115.4	-177.5	-57.3	176.8	0	0	0	108.6	G160 G186 G187 A190	G160-I184 WeakPolarHBondContact O-CB 3.34Å; G160-I184 PolarHBondContact O-N 2.81Å; I184-G186 PolarHBondContact O-N 3.44Å; I184-G187 PolarHBondContact O-N 3.35Å; I184-A190 VanDerWaalsContact O-CB 3.26Å; I184-A190 WeakPolarHBondContact O-CB 3.49Å
185	P	82.8	Confident	87.4	Confident	118 Å²	118	46.8 Å²	46.8	77%	0.766	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	129.5	179.8	-27	35.6	0	0	0	112.4	G187	P185-G187 VanDerWaalsContact C-N 3.27Å; P185-G187 PolarHBondContact O-N 3.35Å
186	G	79.6	Confident	87.6	Confident	62 Å²	62	46 Å²	46	64%	0.639	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	3.9	-175.8	0	0	0	0	0	115.6	I184	I184-G186 PolarHBondContact O-N 3.44Å
187	G	86.6	Confident	87.7	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.01	29%	0.289	C	S	.	.	S	Bend	trans	-85.3	167.1	166.2	0	0	0	0	0	112.5	I184 P185 A189 A190 M191	I184-G187 PolarHBondContact O-N 3.35Å; P185-G187 VanDerWaalsContact C-N 3.27Å; P185-G187 PolarHBondContact O-N 3.35Å; G187-A189 PolarHBondContact O-N 2.95Å; G187-A190 WeakPolarHBondContact O-CA 3.42Å; G187-A190 WeakPolarHBondContact O-CB 3.28Å; G187-A190 PolarHBondContact O-N 2.82Å; G187-M191 PolarHBondContact O-N 3.18Å; G187-M191 VanDerWaalsContact O-N 3.09Å
188	A	87.1	Confident	87.6	Confident	19 Å²	19	51.5 Å²	51.5	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-55.4	-48.2	-172.1	0	0	0	0	0	114.1	E153 A190 M191 D192	E153-A188 WeakPolarHBondContact O-CB 3.25Å; A188-A190 VanDerWaalsContact C-N 3.25Å; A188-A190 PolarHBondContact O-N 3.34Å; A188-M191 PolarHBondContact O-N 3.38Å; A188-D192 PolarHBondContact O-N 3.13Å
189	A	89.5	Confident	87.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-31.6	175.4	0	0	0	0	0	113.8	L152 L159 F161 I183 G187 M191 G193 L195	L152-A189 HydrophobicContact CD1-CB 3.9Å; L159-A189 WeakPolarHBondContact O-CB 3.26Å; L159-A189 PolarHBondContact O-N 3.2Å; F161-A189 HydrophobicContact CB-CB 4.45Å; F161-A189 HydrophobicContact CD1-CB 3.95Å; I183-A189 HydrophobicContact CD1-CB 4.15Å; G187-A189 PolarHBondContact O-N 2.95Å; A189-M191 VanDerWaalsContact C-N 3.34Å; A189-G193 PolarHBondContact O-N 3.4Å; A189-L195 HydrophobicContact CB-CB 4.31Å; A189-L195 HydrophobicContact CB-CD2 3.85Å
190	A	86.6	Confident	87.4	Confident	38 Å²	38	50.5 Å²	50.5	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-76.1	-22.2	175.7	0	0	0	0	0	113.2	I183 I184 G187 A188	I183-A190 HydrophobicContact CG2-CB 3.61Å; I184-A190 VanDerWaalsContact O-CB 3.26Å; I184-A190 WeakPolarHBondContact O-CB 3.49Å; G187-A190 WeakPolarHBondContact O-CA 3.42Å; G187-A190 WeakPolarHBondContact O-CB 3.28Å; G187-A190 PolarHBondContact O-N 2.82Å; A188-A190 VanDerWaalsContact C-N 3.25Å; A188-A190 PolarHBondContact O-N 3.34Å
191	M	84.4	Confident	87.5	Confident	155 Å²	155	50.6 Å²	50.6	76%	0.764	31%	0.305	S	S	*	.	H	α-helix	trans	-86.6	-33.3	175.9	-67.7	179.8	62.1	0	0	112.3	G187 A188 A189	G187-M191 PolarHBondContact O-N 3.18Å; G187-M191 VanDerWaalsContact O-N 3.09Å; A188-M191 PolarHBondContact O-N 3.38Å; A189-M191 VanDerWaalsContact C-N 3.34Å
192	D	89.5	Confident	87.7	Confident	56 Å²	56	49.7 Å²	49.7	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-72.1	-41	170.6	177.8	-87.4	0	0	0	111.9	L152 A188 R194	L152-D192 HydrophobicContact CD2-CB 3.46Å; L152-D192 VanDerWaalsContact CD2-CB 3.46Å; A188-D192 PolarHBondContact O-N 3.13Å; D192-R194 PolarHBondContact O-N 2.8Å; D192-R194 VanDerWaalsContact OD1-CB 3.23Å; D192-R194 WeakPolarHBondContact OD1-CB 3.33Å; D192-R194 WeakPolarHBondContact OD1-CG 3.44Å; D192-R194 IonicContact OD1-CZ 3.81Å; D192-R194 PolarHBondContact OD1-N 2.8Å; D192-R194 VanDerWaalsContact OD1-N 3.12Å; D192-R194 IonicContact OD1-NE 2.91Å; D192-R194 PolarHBondContact OD1-NE 3.4Å; D192-R194 IonicContact OD1-NH2 3.7Å; D192-R194 IonicContact OD2-CZ 3.3Å; D192-R194 IonicContact OD2-NE 2.76Å; D192-R194 PolarHBondContact OD2-NE 3.21Å; D192-R194 VanDerWaalsContact OD2-NE 3.13Å; D192-R194 IonicContact OD2-NH2 2.65Å; D192-R194 PolarHBondContact OD2-NH2 3.48Å
193	G	83.1	Confident	88	Confident	58 Å²	58	46.9 Å²	46.9	60%	0.598	28%	0.284	S	S	*	.			trans	76.7	-6.9	171.3	0	0	0	0	0	116.1	A189	A189-G193 PolarHBondContact O-N 3.4Å
194	R	86.6	Confident	88.3	Confident	96 Å²	96	45.2 Å²	45.2	36%	0.362	28%	0.276	S	S	.	.			trans	-78.6	-33.6	177.5	-61.7	176	-74.6	171.4	-9.3	113.1	E149 I150 V151 D192 G196 R234	E149-R194 PolarHBondContact O-NH1 2.98Å; I150-R194 HydrophobicContact CD1-CB 3.9Å; I150-R194 HydrophobicContact CG1-CB 4.13Å; I150-R194 HydrophobicContact CG2-CB 4.29Å; V151-R194 PolarHBondContact O-NH2 2.7Å; D192-R194 PolarHBondContact O-N 2.8Å; D192-R194 VanDerWaalsContact OD1-CB 3.23Å; D192-R194 WeakPolarHBondContact OD1-CB 3.33Å; D192-R194 WeakPolarHBondContact OD1-CG 3.44Å; D192-R194 IonicContact OD1-CZ 3.81Å; D192-R194 PolarHBondContact OD1-N 2.8Å; D192-R194 VanDerWaalsContact OD1-N 3.12Å; D192-R194 IonicContact OD1-NE 2.91Å; D192-R194 PolarHBondContact OD1-NE 3.4Å; D192-R194 IonicContact OD1-NH2 3.7Å; D192-R194 IonicContact OD2-CZ 3.3Å; D192-R194 IonicContact OD2-NE 2.76Å; D192-R194 PolarHBondContact OD2-NE 3.21Å; D192-R194 VanDerWaalsContact OD2-NE 3.13Å; D192-R194 IonicContact OD2-NH2 2.65Å; D192-R194 PolarHBondContact OD2-NH2 3.48Å; R194-G196 PolarHBondContact O-N 2.9Å; R194-R234 PolarHBondContact O-NH2 3.46Å
195	L	90.3	Very high	88.6	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-77.3	120.3	-177.6	-170	71.8	0	0	0	110.7	I150 L152 F161 I180 I183 A189 D199 L230 V232	I150-L195 HydrophobicContact CD1-CB 4Å; I150-L195 HydrophobicContact CD1-CD1 3.86Å; L152-L195 HydrophobicContact CD1-CD2 4.15Å; F161-L195 HydrophobicContact CB-CD2 4.3Å; F161-L195 HydrophobicContact CD1-CD2 3.5Å; F161-L195 VanDerWaalsContact CD1-CD2 3.5Å; F161-L195 HydrophobicContact CE1-CD2 3.77Å; F161-L195 HydrophobicContact CG-CD2 3.9Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; I180-L195 HydrophobicContact CD1-CD1 4.29Å; I180-L195 HydrophobicContact CD1-CD2 3.94Å; I180-L195 HydrophobicContact CD1-CG 4.38Å; I180-L195 HydrophobicContact CG1-CD1 4.08Å; I180-L195 HydrophobicContact CG1-CD2 4.34Å; I180-L195 HydrophobicContact CG1-CG 4.24Å; I183-L195 HydrophobicContact CD1-CB 4.38Å; I183-L195 HydrophobicContact CD1-CD2 4.05Å; I183-L195 HydrophobicContact CD1-CG 4.1Å; I183-L195 WeakPolarHBondContact CD1-O 3.36Å; A189-L195 HydrophobicContact CB-CB 4.31Å; A189-L195 HydrophobicContact CB-CD2 3.85Å; L195-D199 HydrophobicContact CD1-CB 4.38Å; L195-L230 HydrophobicContact CD1-CD1 4.14Å; L195-L230 HydrophobicContact CD2-CD1 4.02Å; L195-V232 HydrophobicContact CD1-CG1 3.86Å
196	G	88.3	Confident	88.9	Confident	19 Å²	19	44.3 Å²	44.3	20%	0.196	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-101.2	164.4	-177.4	0	0	0	0	0	113.4	I180 R194 D199	I180-G196 VanDerWaalsContact CB-O 3.3Å; I180-G196 WeakPolarHBondContact CB-O 3.11Å; I180-G196 VanDerWaalsContact CG2-O 3.25Å; I180-G196 WeakPolarHBondContact CG2-O 3.28Å; R194-G196 PolarHBondContact O-N 2.9Å; G196-D199 PolarHBondContact N-OD2 2.82Å
197	V	85.4	Confident	89.4	Confident	74 Å²	74	43.7 Å²	43.7	45%	0.448	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	146.8	161.4	179.6	0	0	0	0	108.5	I180 I183 D199	I180-V197 WeakPolarHBondContact O-CA 3.22Å; I183-V197 HydrophobicContact CG1-CG2 4.09Å; V197-D199 PolarHBondContact O-N 2.91Å
198	N	86.4	Confident	89.7	Confident	78 Å²	78	48.3 Å²	48.3	42%	0.417	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	5.4	-171.7	-53.6	-23.1	0	0	0	115.6	I180 C200	I180-N198 PolarHBondContact O-N 2.96Å; N198-C200 PolarHBondContact O-N 3Å
199	D	91	Very high	90	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64	132.9	164	-76.9	-10.1	0	0	0	109.7	F179 I180 L195 G196 V197 V232 R234	F179-D199 CarbonylContact C-O 3.55Å; F179-D199 WeakPolarHBondContact CA-O 3.19Å; I180-D199 HydrophobicContact CB-CB 4.44Å; I180-D199 HydrophobicContact CG1-CB 3.95Å; I180-D199 WeakPolarHBondContact CG1-O 3.47Å; I180-D199 PolarHBondContact N-O 2.77Å; L195-D199 HydrophobicContact CD1-CB 4.38Å; G196-D199 PolarHBondContact N-OD2 2.82Å; V197-D199 PolarHBondContact O-N 2.91Å; D199-V232 HydrophobicContact CB-CB 4.24Å; D199-V232 HydrophobicContact CB-CG1 4.38Å; D199-R234 VanDerWaalsContact CG-NH2 3.34Å; D199-R234 WeakPolarHBondContact OD1-CB 3.22Å; D199-R234 IonicContact OD1-CZ 2.83Å; D199-R234 IonicContact OD1-NE 3.83Å; D199-R234 PolarHBondContact OD1-NE 2.76Å; D199-R234 IonicContact OD1-NH2 2.85Å; D199-R234 PolarHBondContact OD1-NH2 2.79Å; D199-R234 VanDerWaalsContact OD1-NH2 3.14Å; D199-R234 IonicContact OD2-CZ 2.84Å; D199-R234 IonicContact OD2-NE 2.7Å; D199-R234 IonicContact OD2-NH2 2.9Å; D199-R234 PolarHBondContact OD2-NH2 2.88Å
200	C	93.1	Very high	89.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.4	172.7	178	0	0	0	0	110	I178 F179 N198 V232 R233	I178-C200 CarbonylContact O-C 3.55Å; I178-C200 WeakPolarHBondContact O-CA 3.43Å; I178-C200 PolarHBondContact O-SG 2.96Å; F179-C200 HydrophobicContact CD1-CB 3.77Å; F179-C200 HydrophobicContact CE1-CB 3.63Å; F179-C200 HydrophobicContact CG-CB 4.43Å; F179-C200 HydrophobicContact CZ-CB 4.18Å; N198-C200 PolarHBondContact O-N 3Å; C200-V232 CarbonylContact O-C 3.5Å; C200-V232 VanDerWaalsContact O-CA 3.22Å; C200-V232 WeakPolarHBondContact O-CA 3.42Å; C200-R233 HydrophobicContact CB-CG 3.69Å; C200-R233 PolarHBondContact N-O 2.96Å; C200-R233 PolarHBondContact O-N 2.84Å; C200-R233 PolarHBondContact SG-NE 2.95Å; C200-R233 PolarHBondContact SG-NH2 3.15Å
201	V	94.6	Very high	89.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.8	176.1	-169.4	0	0	0	0	108.8	I178 I180 V204 V209 L230 V232	I178-V201 HydrophobicContact CB-CB 4.47Å; I178-V201 HydrophobicContact CG2-CB 4.41Å; I178-V201 PolarHBondContact O-N 2.83Å; I180-V201 HydrophobicContact CD1-CG2 3.74Å; I180-V201 HydrophobicContact CG1-CG2 4.18Å; V201-V204 HydrophobicContact CG1-CG2 3.78Å; V201-V209 HydrophobicContact CB-CG2 4.28Å; V201-V209 HydrophobicContact CG1-CG2 3.78Å; V201-L230 HydrophobicContact CG1-CD2 4.23Å; V201-V232 HydrophobicContact CG2-CG1 4.26Å
202	L	93.2	Very high	90.2	Very high	31 Å²	31	48 Å²	48	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-33.3	175.5	-63.8	177.4	0	0	0	111.7	Y147 V209 S210 V231 R233	Y147-L202 HydrophobicContact CD1-CD1 3.89Å; Y147-L202 HydrophobicContact CE1-CD1 3.57Å; L202-V209 PolarHBondContact O-N 2.85Å; L202-S210 PolarHBondContact O-N 3.19Å; L202-V231 PolarHBondContact N-O 2.8Å; L202-R233 HydrophobicContact CD1-CB 3.92Å; L202-R233 HydrophobicContact CD1-CG 3.99Å; L202-R233 HydrophobicContact CD2-CG 4.24Å; L202-R233 HydrophobicContact CG-CB 4.46Å; L202-R233 HydrophobicContact CG-CG 4.1Å
203	R	94.6	Very high	90.2	Very high	62 Å²	62	48 Å²	48	23%	0.234	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.3	-176.9	-144.3	173.6	72.2	119.3	13.5	111.7	N205 E206 V207 L230 V231	R203-N205 PolarHBondContact NE-O 3.11Å; R203-N205 PolarHBondContact NH2-O 2.99Å; R203-E206 IonicContact CZ-OE1 3.35Å; R203-E206 IonicContact CZ-OE2 2.97Å; R203-E206 IonicContact NH1-OE1 3.2Å; R203-E206 IonicContact NH1-OE2 2.75Å; R203-E206 PolarHBondContact NH1-OE2 2.91Å; R203-E206 IonicContact NH2-OE1 2.92Å; R203-E206 PolarHBondContact NH2-OE1 2.88Å; R203-E206 IonicContact NH2-OE2 3.67Å; R203-E206 PolarHBondContact NH2-OE2 3.38Å; R203-V207 CarbonylContact C-O 3.55Å; R203-V207 WeakPolarHBondContact CA-O 3.39Å; R203-V207 VanDerWaalsContact CG-O 3.26Å; R203-V207 WeakPolarHBondContact CG-O 3.12Å; R203-L230 WeakPolarHBondContact O-CA 3.26Å; R203-V231 HydrophobicContact CB-CB 3.74Å; R203-V231 HydrophobicContact CB-CG2 3.89Å; R203-V231 PolarHBondContact N-O 2.76Å; R203-V231 PolarHBondContact O-N 2.75Å
204	V	95.4	Very high	90.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.1	176.2	-178.9	0	0	0	0	108.4	V201 E206 V207 V209 A220 L221 A224 V228 L230	V201-V204 HydrophobicContact CG1-CG2 3.78Å; V204-E206 PolarHBondContact O-N 2.92Å; V204-E206 VanDerWaalsContact O-N 3.13Å; V204-V207 PolarHBondContact N-O 2.87Å; V204-V207 WeakPolarHBondContact O-CB 3.4Å; V204-V207 PolarHBondContact O-N 2.62Å; V204-V209 HydrophobicContact CG2-CG1 4.13Å; V204-V209 HydrophobicContact CG2-CG2 3.94Å; V204-A220 HydrophobicContact CB-CB 4.09Å; V204-A220 HydrophobicContact CG1-CB 4.25Å; V204-L221 HydrophobicContact CG1-CD2 3.8Å; V204-L221 HydrophobicContact CG1-CG 4.26Å; V204-L221 HydrophobicContact CG2-CD2 3.85Å; V204-L221 HydrophobicContact CG2-CG 4.13Å; V204-A224 HydrophobicContact CG1-CB 3.85Å; V204-V228 HydrophobicContact CG1-CG1 3.97Å; V204-L230 HydrophobicContact CB-CD2 4.47Å; V204-L230 HydrophobicContact CG1-CD2 4.3Å; V204-L230 HydrophobicContact CG2-CD2 3.96Å
205	N	92.9	Very high	90.9	Very high	43 Å²	43	46.1 Å²	46.1	23%	0.23	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	-114.8	-161	-65.5	2.1	0	0	0	109.6	R203 A224 V228 R229	R203-N205 PolarHBondContact NE-O 3.11Å; R203-N205 PolarHBondContact NH2-O 2.99Å; N205-A224 WeakPolarHBondContact ND2-CA 3.22Å; N205-A224 PolarHBondContact ND2-O 3.33Å; N205-V228 WeakPolarHBondContact OD1-CA 3.31Å; N205-R229 WeakPolarHBondContact CA-O 3.38Å; N205-R229 PolarHBondContact N-O 3.42Å; N205-R229 PolarHBondContact OD1-N 2.8Å
206	E	88.9	Confident	91	Very high	127 Å²	127	49.8 Å²	49.8	59%	0.593	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	8.9	179.7	-51.2	-55.4	124.3	0	0	112.8	R203 V204 R229	R203-E206 IonicContact CZ-OE1 3.35Å; R203-E206 IonicContact CZ-OE2 2.97Å; R203-E206 IonicContact NH1-OE1 3.2Å; R203-E206 IonicContact NH1-OE2 2.75Å; R203-E206 PolarHBondContact NH1-OE2 2.91Å; R203-E206 IonicContact NH2-OE1 2.92Å; R203-E206 PolarHBondContact NH2-OE1 2.88Å; R203-E206 IonicContact NH2-OE2 3.67Å; R203-E206 PolarHBondContact NH2-OE2 3.38Å; V204-E206 PolarHBondContact O-N 2.92Å; V204-E206 VanDerWaalsContact O-N 3.13Å; E206-R229 IonicContact OE1-NH1 2.76Å; E206-R229 PolarHBondContact OE1-NH1 3.09Å
207	V	90.9	Very high	91.1	Very high	49 Å²	49	49 Å²	49	30%	0.297	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.5	177.7	-175.8	0	0	0	0	110	R203 V204 V209 A220	R203-V207 CarbonylContact C-O 3.55Å; R203-V207 WeakPolarHBondContact CA-O 3.39Å; R203-V207 VanDerWaalsContact CG-O 3.26Å; R203-V207 WeakPolarHBondContact CG-O 3.12Å; V204-V207 PolarHBondContact N-O 2.87Å; V204-V207 WeakPolarHBondContact O-CB 3.4Å; V204-V207 PolarHBondContact O-N 2.62Å; V207-V209 HydrophobicContact CG1-CG1 4.37Å; V207-A220 HydrophobicContact CB-CB 4.16Å; V207-A220 HydrophobicContact CG1-CB 3.91Å
208	D	91.6	Very high	91.5	Very high	98 Å²	98	47.4 Å²	47.4	52%	0.524	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.6	169.9	-159.6	-37.8	0	0	0	110.7	S210	D208-S210 WeakPolarHBondContact OD1-CB 3.34Å; D208-S210 PolarHBondContact OD1-N 2.82Å; D208-S210 PolarHBondContact OD1-OG 2.92Å; D208-S210 VanDerWaalsContact OD1-OG 3.09Å
209	V	93.1	Very high	91.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.			trans	-134.1	17.1	178.6	-60	0	0	0	0	112.5	I178 V201 L202 V204 V207 V212 A217 A220	I178-V209 HydrophobicContact CG1-CB 4.43Å; I178-V209 WeakPolarHBondContact CG1-O 3.44Å; V201-V209 HydrophobicContact CB-CG2 4.28Å; V201-V209 HydrophobicContact CG1-CG2 3.78Å; L202-V209 PolarHBondContact O-N 2.85Å; V204-V209 HydrophobicContact CG2-CG1 4.13Å; V204-V209 HydrophobicContact CG2-CG2 3.94Å; V207-V209 HydrophobicContact CG1-CG1 4.37Å; V209-V212 HydrophobicContact CB-CG2 3.87Å; V209-V212 HydrophobicContact CG1-CG2 4.31Å; V209-A217 HydrophobicContact CB-CB 4.28Å; V209-A217 HydrophobicContact CG1-CB 4.29Å; V209-A220 HydrophobicContact CG1-CB 3.99Å
210	S	86.7	Confident	91.9	Very high	37 Å²	37	47.5 Å²	47.5	26%	0.259	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.9	-176.3	68.9	0	0	0	0	113.8	L202 D208	L202-S210 PolarHBondContact O-N 3.19Å; D208-S210 WeakPolarHBondContact OD1-CB 3.34Å; D208-S210 PolarHBondContact OD1-N 2.82Å; D208-S210 PolarHBondContact OD1-OG 2.92Å; D208-S210 VanDerWaalsContact OD1-OG 3.09Å
211	E	87.5	Confident	91.8	Very high	142 Å²	142	48.4 Å²	48.4	66%	0.664	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.9	45.3	-177.1	-61.4	-166	139.6	0	0	111.9	I167 P176	I167-E211 HydrophobicContact CG2-CB 4.47Å; P176-E211 HydrophobicContact CG-CG 4.24Å
212	V	90.3	Very high	91.6	Very high	28 Å²	28	55 Å²	55	17%	0.17	28%	0.278	C	S	.	.			trans	-106.4	163.3	-178.2	-57.5	0	0	0	0	112.7	G166 I167 I178 V209 R216 A217	G166-V212 CarbonylContact C-O 3.58Å; G166-V212 WeakPolarHBondContact CA-O 3.45Å; I167-V212 PolarHBondContact N-O 2.95Å; I178-V212 HydrophobicContact CD1-CG2 4.43Å; I178-V212 HydrophobicContact CG1-CG2 4.37Å; V209-V212 HydrophobicContact CB-CG2 3.87Å; V209-V212 HydrophobicContact CG1-CG2 4.31Å; V212-R216 HydrophobicContact CB-CB 4.24Å; V212-R216 HydrophobicContact CB-CG 4.48Å; V212-R216 HydrophobicContact CG2-CB 4.42Å; V212-A217 HydrophobicContact CG2-CB 3.97Å
213	V	91.1	Very high	91.4	Very high	54 Å²	54	59.7 Å²	59.7	33%	0.327	30%	0.298	S	S	.	.			trans	-67.3	147.5	165.7	-67.8	0	0	0	0	110.8	I167 D168 S215 R216 A217	I167-V213 HydrophobicContact CD1-CG1 3.86Å; I167-V213 HydrophobicContact CG1-CB 4.47Å; I167-V213 HydrophobicContact CG1-CG1 3.62Å; D168-V213 HydrophobicContact CB-CB 4.47Å; D168-V213 HydrophobicContact CB-CG1 4.11Å; D168-V213 VanDerWaalsContact OD1-CA 3.29Å; D168-V213 WeakPolarHBondContact OD1-CA 3.35Å; V213-S215 WeakPolarHBondContact CG2-OG 3.49Å; V213-S215 PolarHBondContact O-N 2.87Å; V213-S215 VanDerWaalsContact O-N 3.14Å; V213-R216 HydrophobicContact CG2-CB 3.93Å; V213-R216 PolarHBondContact O-N 3.01Å; V213-A217 PolarHBondContact O-N 2.86Å
214	H	91	Very high	91.1	Very high	55 Å²	55	57.3 Å²	57.3	26%	0.255	29%	0.292	S	S	.	.	H	α-helix	trans	-51.5	-41.6	-176.3	-173.8	77.7	0	0	0	112.8	G165 D168 R216 A217 V218	G165-H214 WeakPolarHBondContact O-CB 3.39Å; G165-H214 PolarHBondContact O-ND1 2.82Å; D168-H214 PolarHBondContact OD1-N 2.9Å; H214-R216 VanDerWaalsContact C-N 3.33Å; H214-R216 PolarHBondContact O-N 2.8Å; H214-A217 PolarHBondContact O-N 2.59Å; H214-V218 WeakPolarHBondContact O-CG2 3.48Å; H214-V218 PolarHBondContact O-N 3.34Å; H214-V218 VanDerWaalsContact O-N 3.12Å
215	S	92.4	Very high	90.6	Very high	60 Å²	60	58.4 Å²	58.4	42%	0.42	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-40	176.9	52.8	0	0	0	0	113.1	V213 V218 E219	V213-S215 WeakPolarHBondContact CG2-OG 3.49Å; V213-S215 PolarHBondContact O-N 2.87Å; V213-S215 VanDerWaalsContact O-N 3.14Å; S215-V218 WeakPolarHBondContact O-CB 3.37Å; S215-V218 PolarHBondContact O-N 3.3Å; S215-E219 WeakPolarHBondContact O-CG 3.4Å; S215-E219 PolarHBondContact O-N 2.76Å
216	R	92.1	Very high	90.3	Very high	83 Å²	83	61.2 Å²	61.2	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-72.6	-33	-177.3	-173.8	63.7	-161.9	142.9	10	112.3	V212 V213 H214 E219 A220 E223	V212-R216 HydrophobicContact CB-CB 4.24Å; V212-R216 HydrophobicContact CB-CG 4.48Å; V212-R216 HydrophobicContact CG2-CB 4.42Å; V213-R216 HydrophobicContact CG2-CB 3.93Å; V213-R216 PolarHBondContact O-N 3.01Å; H214-R216 VanDerWaalsContact C-N 3.33Å; H214-R216 PolarHBondContact O-N 2.8Å; R216-E219 VanDerWaalsContact CD-OE2 3.24Å; R216-E219 WeakPolarHBondContact CD-OE2 3.1Å; R216-E219 IonicContact CZ-OE2 2.65Å; R216-E219 IonicContact NE-OE2 3.72Å; R216-E219 IonicContact NH1-OE2 3.28Å; R216-E219 PolarHBondContact NH1-OE2 3Å; R216-E219 PolarHBondContact O-N 3.11Å; R216-A220 PolarHBondContact O-N 3.28Å; R216-E223 IonicContact CZ-OE2 3.82Å; R216-E223 IonicContact NH1-OE1 2.68Å; R216-E223 IonicContact NH1-OE2 3.76Å; R216-E223 PolarHBondContact NH1-OE2 3.03Å; R216-E223 IonicContact NH2-OE2 3.99Å; R216-E223 PolarHBondContact NH2-OE2 3.4Å
217	A	91.5	Very high	90.3	Very high	2 Å²	2	58.4 Å²	58.4	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-39.8	170.6	0	0	0	0	0	111.9	I163 I178 V209 V212 V213 H214 A220 L221	I163-A217 HydrophobicContact CD1-CB 4.14Å; I178-A217 HydrophobicContact CB-CB 4.5Å; I178-A217 HydrophobicContact CD1-CB 3.47Å; I178-A217 VanDerWaalsContact CD1-CB 3.47Å; I178-A217 HydrophobicContact CG1-CB 3.6Å; I178-A217 HydrophobicContact CG2-CB 4.18Å; V209-A217 HydrophobicContact CB-CB 4.28Å; V209-A217 HydrophobicContact CG1-CB 4.29Å; V212-A217 HydrophobicContact CG2-CB 3.97Å; V213-A217 PolarHBondContact O-N 2.86Å; H214-A217 PolarHBondContact O-N 2.59Å; A217-A220 PolarHBondContact O-N 3.4Å; A217-L221 WeakPolarHBondContact O-CG 3.43Å; A217-L221 PolarHBondContact O-N 2.84Å
218	V	92.6	Very high	90.5	Very high	41 Å²	41	56.1 Å²	56.1	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-37.7	173.5	171.3	0	0	0	0	111.7	I163 H214 S215 K222	I163-V218 HydrophobicContact CD1-CG2 3.86Å; I163-V218 HydrophobicContact CG1-CG2 4.48Å; H214-V218 WeakPolarHBondContact O-CG2 3.48Å; H214-V218 PolarHBondContact O-N 3.34Å; H214-V218 VanDerWaalsContact O-N 3.12Å; S215-V218 WeakPolarHBondContact O-CB 3.37Å; S215-V218 PolarHBondContact O-N 3.3Å; V218-K222 HydrophobicContact CG1-CD 4.16Å; V218-K222 WeakPolarHBondContact O-CD 3.15Å; V218-K222 VanDerWaalsContact O-CG 3.25Å; V218-K222 WeakPolarHBondContact O-CG 3.19Å; V218-K222 PolarHBondContact O-N 3.31Å; V218-K222 VanDerWaalsContact O-N 3.09Å
219	E	92.8	Very high	90.6	Very high	78 Å²	78	55.9 Å²	55.9	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-51.9	172.1	-74.9	167.1	-167.9	0	0	111.6	S215 R216 L221 K222 E223	S215-E219 WeakPolarHBondContact O-CG 3.4Å; S215-E219 PolarHBondContact O-N 2.76Å; R216-E219 VanDerWaalsContact CD-OE2 3.24Å; R216-E219 WeakPolarHBondContact CD-OE2 3.1Å; R216-E219 IonicContact CZ-OE2 2.65Å; R216-E219 IonicContact NE-OE2 3.72Å; R216-E219 IonicContact NH1-OE2 3.28Å; R216-E219 PolarHBondContact NH1-OE2 3Å; R216-E219 PolarHBondContact O-N 3.11Å; E219-L221 VanDerWaalsContact C-N 3.29Å; E219-L221 PolarHBondContact O-N 3.41Å; E219-K222 WeakPolarHBondContact O-CA 3.47Å; E219-K222 WeakPolarHBondContact O-CB 3.47Å; E219-K222 PolarHBondContact O-N 3.14Å; E219-E223 WeakPolarHBondContact O-CB 3.48Å; E219-E223 WeakPolarHBondContact O-CG 3.49Å; E219-E223 PolarHBondContact O-N 3.46Å
220	A	92.9	Very high	90.7	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.017	29%	0.294	C	S	.	.	H	α-helix	trans	-55.2	-43.8	178.9	0	0	0	0	0	112	V204 V207 V209 R216 A217 K222 E223 A224	V204-A220 HydrophobicContact CB-CB 4.09Å; V204-A220 HydrophobicContact CG1-CB 4.25Å; V207-A220 HydrophobicContact CB-CB 4.16Å; V207-A220 HydrophobicContact CG1-CB 3.91Å; V209-A220 HydrophobicContact CG1-CB 3.99Å; R216-A220 PolarHBondContact O-N 3.28Å; A217-A220 PolarHBondContact O-N 3.4Å; A220-K222 VanDerWaalsContact C-N 3.35Å; A220-K222 PolarHBondContact O-N 3.02Å; A220-E223 PolarHBondContact O-N 3.36Å; A220-A224 VanDerWaalsContact O-CB 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.08Å; A220-A224 PolarHBondContact O-N 2.94Å
221	L	92.6	Very high	91.1	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-33.2	175.3	-72.2	169.1	0	0	0	113.3	R154 L159 F161 I163 V204 A217 E219 V228 L230	R154-L221 PolarHBondContact NH2-O 3.29Å; L159-L221 HydrophobicContact CD1-CD2 3.98Å; F161-L221 HydrophobicContact CE2-CD1 4.06Å; F161-L221 HydrophobicContact CE2-CD2 4.3Å; F161-L221 HydrophobicContact CZ-CD1 4.39Å; F161-L221 HydrophobicContact CZ-CD2 3.8Å; I163-L221 HydrophobicContact CD1-CD1 3.75Å; I163-L221 HydrophobicContact CG1-CD1 4.34Å; I163-L221 HydrophobicContact CG2-CD1 4.4Å; V204-L221 HydrophobicContact CG1-CD2 3.8Å; V204-L221 HydrophobicContact CG1-CG 4.26Å; V204-L221 HydrophobicContact CG2-CD2 3.85Å; V204-L221 HydrophobicContact CG2-CG 4.13Å; A217-L221 WeakPolarHBondContact O-CG 3.43Å; A217-L221 PolarHBondContact O-N 2.84Å; E219-L221 VanDerWaalsContact C-N 3.29Å; E219-L221 PolarHBondContact O-N 3.41Å; L221-V228 HydrophobicContact CD2-CG1 4.48Å; L221-L230 HydrophobicContact CD2-CD2 3.86Å
222	K	89.2	Confident	91.4	Very high	140 Å²	140	48.7 Å²	48.7	61%	0.609	26%	0.258	S	S	*	.	H	α-helix	trans	-69.5	-49.7	173.4	-74.4	165.2	-179.6	172.6	0	111.1	R154 V218 E219 A220 A224	R154-K222 PolarHBondContact NH1-O 3.37Å; R154-K222 PolarHBondContact NH2-O 3.07Å; V218-K222 HydrophobicContact CG1-CD 4.16Å; V218-K222 WeakPolarHBondContact O-CD 3.15Å; V218-K222 VanDerWaalsContact O-CG 3.25Å; V218-K222 WeakPolarHBondContact O-CG 3.19Å; V218-K222 PolarHBondContact O-N 3.31Å; V218-K222 VanDerWaalsContact O-N 3.09Å; E219-K222 WeakPolarHBondContact O-CA 3.47Å; E219-K222 WeakPolarHBondContact O-CB 3.47Å; E219-K222 PolarHBondContact O-N 3.14Å; A220-K222 VanDerWaalsContact C-N 3.35Å; A220-K222 PolarHBondContact O-N 3.02Å; K222-A224 PolarHBondContact O-N 2.95Å
223	E	90.3	Very high	91.3	Very high	128 Å²	128	49.5 Å²	49.5	60%	0.598	26%	0.258	S	S	*	.	H	α-helix	trans	-68.4	-27.3	-175	-69.8	175.6	163.3	0	0	113.4	R216 E219 A220 G225	R216-E223 IonicContact CZ-OE2 3.82Å; R216-E223 IonicContact NH1-OE1 2.68Å; R216-E223 IonicContact NH1-OE2 3.76Å; R216-E223 PolarHBondContact NH1-OE2 3.03Å; R216-E223 IonicContact NH2-OE2 3.99Å; R216-E223 PolarHBondContact NH2-OE2 3.4Å; E219-E223 WeakPolarHBondContact O-CB 3.48Å; E219-E223 WeakPolarHBondContact O-CG 3.49Å; E219-E223 PolarHBondContact O-N 3.46Å; A220-E223 PolarHBondContact O-N 3.36Å; E223-G225 PolarHBondContact O-N 2.88Å
224	A	86.7	Confident	91	Very high	12 Å²	12	51 Å²	51	10%	0.099	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-3.3	-176	0	0	0	0	0	116.8	V204 N205 A220 K222 V227 V228	V204-A224 HydrophobicContact CG1-CB 3.85Å; N205-A224 WeakPolarHBondContact ND2-CA 3.22Å; N205-A224 PolarHBondContact ND2-O 3.33Å; A220-A224 VanDerWaalsContact O-CB 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.08Å; A220-A224 PolarHBondContact O-N 2.94Å; K222-A224 PolarHBondContact O-N 2.95Å; A224-V227 VanDerWaalsContact O-O 3.08Å; A224-V228 HydrophobicContact CB-CB 4.26Å; A224-V228 HydrophobicContact CB-CG1 3.83Å; A224-V228 HydrophobicContact CB-CG2 3.64Å
225	G	86.1	Confident	90	Very high	26 Å²	26	56.1 Å²	56.1	27%	0.268	28%	0.275	S	S	.	.			trans	74.4	-160.9	169.8	0	0	0	0	0	115	R154 E223 V227	R154-G225 PolarHBondContact NE-O 3.46Å; R154-G225 PolarHBondContact NH2-O 2.72Å; E223-G225 PolarHBondContact O-N 2.88Å; G225-V227 VanDerWaalsContact C-N 3.32Å; G225-V227 PolarHBondContact O-N 3.16Å
226	P	85.9	Confident	88.2	Confident	102 Å²	102	57.2 Å²	57.2	66%	0.662	27%	0.273	S	S	*	.	S	Bend	trans	-74	-19.5	-171.5	30.2	-35.6	0	0	0	114	E153 R154	E153-P226 WeakPolarHBondContact CA-O 3.18Å; R154-P226 PolarHBondContact N-O 3.12Å
227	V	89.8	Confident	86.1	Confident	68 Å²	68	57.8 Å²	57.8	41%	0.412	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.4	177.4	-177.2	0	0	0	0	107.8	V151 E153 A224 G225	V151-V227 HydrophobicContact CG1-CG1 3.46Å; V151-V227 VanDerWaalsContact CG1-CG1 3.46Å; E153-V227 HydrophobicContact CG-CG2 4.38Å; A224-V227 VanDerWaalsContact O-O 3.08Å; G225-V227 VanDerWaalsContact C-N 3.32Å; G225-V227 PolarHBondContact O-N 3.16Å
228	V	94.3	Very high	84.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.6	-171.1	-176.7	0	0	0	0	110.1	V151 L152 L159 V204 N205 L221 A224 L230	V151-V228 WeakPolarHBondContact CA-O 3.43Å; L152-V228 PolarHBondContact N-O 2.92Å; L152-V228 PolarHBondContact O-N 3.38Å; L159-V228 HydrophobicContact CD1-CB 4.19Å; L159-V228 HydrophobicContact CD1-CG1 4.05Å; L159-V228 HydrophobicContact CD1-CG2 4.08Å; L159-V228 HydrophobicContact CD2-CB 3.94Å; L159-V228 HydrophobicContact CD2-CG2 3.75Å; L159-V228 HydrophobicContact CG-CG2 4.47Å; V204-V228 HydrophobicContact CG1-CG1 3.97Å; N205-V228 WeakPolarHBondContact OD1-CA 3.31Å; L221-V228 HydrophobicContact CD2-CG1 4.48Å; A224-V228 HydrophobicContact CB-CB 4.26Å; A224-V228 HydrophobicContact CB-CG1 3.83Å; A224-V228 HydrophobicContact CB-CG2 3.64Å; V228-L230 HydrophobicContact CG1-CD2 3.81Å; V228-L230 HydrophobicContact CG1-CG 4.32Å
229	R	94.1	Very high	82.2	Confident	93 Å²	93	63.7 Å²	63.7	35%	0.351	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	101.7	-178.9	-179.7	-177.1	-168.6	-153.7	-1.2	109	E149 V151 N205 E206	E149-R229 VanDerWaalsContact CD-NH2 3.3Å; E149-R229 HydrophobicContact CG-CG 4.06Å; E149-R229 IonicContact OE1-CZ 3.29Å; E149-R229 IonicContact OE1-NE 3.06Å; E149-R229 PolarHBondContact OE1-NE 2.94Å; E149-R229 IonicContact OE1-NH2 2.68Å; E149-R229 PolarHBondContact OE1-NH2 3.47Å; E149-R229 VanDerWaalsContact OE1-NH2 3.12Å; E149-R229 IonicContact OE2-CZ 2.6Å; E149-R229 IonicContact OE2-NE 3.49Å; E149-R229 PolarHBondContact OE2-NE 3.11Å; E149-R229 IonicContact OE2-NH2 3.46Å; E149-R229 PolarHBondContact OE2-NH2 3.35Å; V151-R229 HydrophobicContact CG2-CB 4.27Å; V151-R229 HydrophobicContact CG2-CG 4.12Å; N205-R229 WeakPolarHBondContact CA-O 3.38Å; N205-R229 PolarHBondContact N-O 3.42Å; N205-R229 PolarHBondContact OD1-N 2.8Å; E206-R229 IonicContact OE1-NH1 2.76Å; E206-R229 PolarHBondContact OE1-NH1 3.09Å
230	L	95.7	Very high	80.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.4	177.3	-56.9	177.7	0	0	0	109.9	E149 I150 L152 F161 L195 V201 R203 V204 L221 V228 V232	E149-L230 WeakPolarHBondContact CA-O 3.41Å; I150-L230 PolarHBondContact N-O 3.19Å; I150-L230 PolarHBondContact O-N 3.3Å; L152-L230 HydrophobicContact CD1-CD1 4.01Å; F161-L230 HydrophobicContact CE1-CD1 3.85Å; F161-L230 HydrophobicContact CZ-CD1 3.8Å; L195-L230 HydrophobicContact CD1-CD1 4.14Å; L195-L230 HydrophobicContact CD2-CD1 4.02Å; V201-L230 HydrophobicContact CG1-CD2 4.23Å; R203-L230 WeakPolarHBondContact O-CA 3.26Å; V204-L230 HydrophobicContact CB-CD2 4.47Å; V204-L230 HydrophobicContact CG1-CD2 4.3Å; V204-L230 HydrophobicContact CG2-CD2 3.96Å; L221-L230 HydrophobicContact CD2-CD2 3.86Å; V228-L230 HydrophobicContact CG1-CD2 3.81Å; V228-L230 HydrophobicContact CG1-CG 4.32Å; L230-V232 HydrophobicContact CB-CG1 4.3Å
231	V	94.4	Very high	80	Confident	29 Å²	29	66.6 Å²	66.6	18%	0.176	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.8	160.3	-177.8	0	0	0	0	107.1	E149 L202 R203	E149-V231 HydrophobicContact CG-CG2 4.43Å; L202-V231 PolarHBondContact N-O 2.8Å; R203-V231 HydrophobicContact CB-CB 3.74Å; R203-V231 HydrophobicContact CB-CG2 3.89Å; R203-V231 PolarHBondContact N-O 2.76Å; R203-V231 PolarHBondContact O-N 2.75Å
232	V	93.1	Very high	79.5	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.1	179.9	-60.2	0	0	0	0	111.4	Y147 E148 I150 L195 D199 C200 V201 L230	Y147-V232 WeakPolarHBondContact CA-O 3.44Å; E148-V232 HydrophobicContact CB-CG2 4.22Å; E148-V232 PolarHBondContact N-O 3.04Å; E148-V232 PolarHBondContact O-N 3.08Å; I150-V232 HydrophobicContact CD1-CG2 3.97Å; L195-V232 HydrophobicContact CD1-CG1 3.86Å; D199-V232 HydrophobicContact CB-CB 4.24Å; D199-V232 HydrophobicContact CB-CG1 4.38Å; C200-V232 CarbonylContact O-C 3.5Å; C200-V232 VanDerWaalsContact O-CA 3.22Å; C200-V232 WeakPolarHBondContact O-CA 3.42Å; V201-V232 HydrophobicContact CG2-CG1 4.26Å; L230-V232 HydrophobicContact CB-CG1 4.3Å
233	R	89.4	Confident	79.4	Confident	44 Å²	44	66.7 Å²	66.7	17%	0.166	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.5	159.7	64	179.9	169	145.5	5.2	109	K146 Y147 D175 C200 L202	K146-R233 WeakPolarHBondContact O-CA 3.36Å; Y147-R233 HydrophobicContact CD1-CB 4.14Å; Y147-R233 HydrophobicContact CE1-CB 3.94Å; D175-R233 IonicContact OD1-CZ 3.4Å; D175-R233 IonicContact OD1-NH1 2.77Å; D175-R233 IonicContact OD1-NH2 2.76Å; D175-R233 PolarHBondContact OD1-NH2 3.39Å; D175-R233 IonicContact OD2-CZ 2.8Å; D175-R233 VanDerWaalsContact OD2-CZ 3.3Å; D175-R233 IonicContact OD2-NH1 2.62Å; D175-R233 PolarHBondContact OD2-NH1 3.14Å; D175-R233 IonicContact OD2-NH2 2.77Å; D175-R233 PolarHBondContact OD2-NH2 3.17Å; C200-R233 HydrophobicContact CB-CG 3.69Å; C200-R233 PolarHBondContact N-O 2.96Å; C200-R233 PolarHBondContact O-N 2.84Å; C200-R233 PolarHBondContact SG-NE 2.95Å; C200-R233 PolarHBondContact SG-NH2 3.15Å; L202-R233 HydrophobicContact CD1-CB 3.92Å; L202-R233 HydrophobicContact CD1-CG 3.99Å; L202-R233 HydrophobicContact CD2-CG 4.24Å; L202-R233 HydrophobicContact CG-CB 4.46Å; L202-R233 HydrophobicContact CG-CG 4.1Å
234	R	84.1	Confident	79.3	Confident	85 Å²	85	66.2 Å²	66.2	32%	0.321	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.1	167.7	-177	177.5	-64.4	158.4	9.5	107.8	F145 K146 R194 D199 Q236	F145-R234 CarbonylContact C-O 3.55Å; F145-R234 WeakPolarHBondContact CA-O 3.29Å; K146-R234 PolarHBondContact N-O 2.92Å; K146-R234 PolarHBondContact O-N 2.89Å; R194-R234 PolarHBondContact O-NH2 3.46Å; D199-R234 VanDerWaalsContact CG-NH2 3.34Å; D199-R234 WeakPolarHBondContact OD1-CB 3.22Å; D199-R234 IonicContact OD1-CZ 2.83Å; D199-R234 IonicContact OD1-NE 3.83Å; D199-R234 PolarHBondContact OD1-NE 2.76Å; D199-R234 IonicContact OD1-NH2 2.85Å; D199-R234 PolarHBondContact OD1-NH2 2.79Å; D199-R234 VanDerWaalsContact OD1-NH2 3.14Å; D199-R234 IonicContact OD2-CZ 2.84Å; D199-R234 IonicContact OD2-NE 2.7Å; D199-R234 IonicContact OD2-NH2 2.9Å; D199-R234 PolarHBondContact OD2-NH2 2.88Å; R234-Q236 PolarHBondContact O-N 2.95Å
235	R	69.3	Low	79.6	Confident	164 Å²	164	65.7 Å²	65.7	62%	0.619	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	124.6	173.9	-161.9	-179.7	-167	-177.8	6.8	108.9	M144 F145	M144-R235 VanDerWaalsContact CE-NH2 3.31Å; M144-R235 HydrophobicContact CG-CG 4.42Å; M144-R235 CarbonylContact O-C 3.27Å; M144-R235 WeakPolarHBondContact O-CA 3.44Å; M144-R235 WeakPolarHBondContact O-CG 3.39Å; M144-R235 PolarHBondContact SD-NH2 2.99Å; F145-R235 HydrophobicContact CD1-CB 4.07Å; F145-R235 HydrophobicContact CD1-CG 4.23Å; F145-R235 HydrophobicContact CE1-CB 3.87Å; F145-R235 HydrophobicContact CE1-CG 3.84Å; F145-R235 HydrophobicContact CZ-CG 4.23Å
236	Q	54.8	Low	79.8	Confident	83 Å²	83	67.8 Å²	67.8	39%	0.388	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-77.6	137.8	170	-67.7	-166.5	68.5	0	0	108.6	M144 F145 K146 R234	M144-Q236 PolarHBondContact O-N 3.43Å; F145-Q236 PolarHBondContact O-NE2 2.88Å; F145-Q236 VanDerWaalsContact O-NE2 3.09Å; K146-Q236 HydrophobicContact CB-CG 3.69Å; R234-Q236 PolarHBondContact O-N 2.95Å
237	P	49.6	Very low	80	Confident	94 Å²	94	63.1 Å²	63.1	61%	0.61	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-60.2	138.9	161.5	28.2	-32.7	0	0	0	108.1
238	P	50.6	Low	79.9	Confident	57 Å²	57	65.2 Å²	65.2	37%	0.37	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-54.4	149.5	175.4	-25.2	34.5	0	0	0	111.3	M144 E240	M144-P238 HydrophobicContact CE-CG 4.32Å; P238-E240 WeakPolarHBondContact O-CG 3.15Å; P238-E240 PolarHBondContact O-N 3.06Å
239	P	51.2	Low	79.6	Confident	111 Å²	111	67.4 Å²	67.4	72%	0.721	34%	0.337	S	S	*	.			trans	-60.1	109.3	178.2	24	-33.5	0	0	0	110.5
240	E	64.4	Low	78.9	Confident	53 Å²	53	64.4 Å²	64.4	25%	0.248	33%	0.334	C	S	.	.			trans	-81.9	132.4	-175.7	-63.8	179.8	150.4	0	0	111.5	P238 R295 A328 K329	P238-E240 WeakPolarHBondContact O-CG 3.15Å; P238-E240 PolarHBondContact O-N 3.06Å; E240-R295 VanDerWaalsContact CD-NE 3.33Å; E240-R295 WeakPolarHBondContact OE1-CD 3.3Å; E240-R295 IonicContact OE1-CZ 2.68Å; E240-R295 IonicContact OE1-NE 3.5Å; E240-R295 PolarHBondContact OE1-NE 2.86Å; E240-R295 IonicContact OE1-NH2 2.8Å; E240-R295 PolarHBondContact OE1-NH2 3.05Å; E240-R295 IonicContact OE2-CZ 3.46Å; E240-R295 VanDerWaalsContact OE2-CZ 3.29Å; E240-R295 IonicContact OE2-NE 3.93Å; E240-R295 PolarHBondContact OE2-NE 3.1Å; E240-R295 IonicContact OE2-NH2 3.72Å; E240-R295 PolarHBondContact OE2-NH2 2.81Å; E240-A328 HydrophobicContact CB-CB 3.83Å; E240-A328 HydrophobicContact CG-CB 4.21Å; E240-A328 WeakPolarHBondContact OE2-CB 3.23Å; E240-K329 CarbonylContact C-O 3.17Å; E240-K329 WeakPolarHBondContact CA-O 3.18Å; E240-K329 WeakPolarHBondContact CB-O 3.37Å
241	T	73.8	Confident	77.8	Confident	88 Å²	88	71.3 Å²	71.3	54%	0.54	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.9	171.4	54.2	0	0	0	0	109.6	K329	T241-K329 PolarHBondContact N-O 3.44Å; T241-K329 VanDerWaalsContact N-O 3.09Å; T241-K329 PolarHBondContact O-N 3.09Å
242	I	83.6	Confident	76.7	Confident	101 Å²	101	77.6 Å²	77.6	52%	0.518	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.5	178.7	-55.6	177	0	0	0	109.6	L297 K326 V327	I242-L297 HydrophobicContact CD1-CD1 3.82Å; I242-L297 HydrophobicContact CG1-CD1 3.91Å; I242-L297 HydrophobicContact CG2-CD1 4.1Å; I242-K326 HydrophobicContact CG2-CD 4.39Å; I242-K326 HydrophobicContact CG2-CG 3.84Å; I242-V327 CarbonylContact C-O 3.57Å; I242-V327 WeakPolarHBondContact CA-O 3.35Å
243	M	85.5	Confident	76.3	Confident	62 Å²	62	79 Å²	79	31%	0.305	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	161.3	173.4	61	167.7	54.8	0	0	111.7	V245 V327 K329	M243-V245 HydrophobicContact CG-CG2 4.15Å; M243-V245 HydrophobicContact SD-CG2 3.76Å; M243-V327 HydrophobicContact CG-CB 4.19Å; M243-V327 WeakPolarHBondContact CG-O 3.45Å; M243-V327 PolarHBondContact N-O 2.92Å; M243-V327 PolarHBondContact O-N 2.82Å; M243-K329 HydrophobicContact CE-CD 4.25Å; M243-K329 HydrophobicContact CE-CG 3.65Å; M243-K329 HydrophobicContact CG-CG 4.41Å; M243-K329 HydrophobicContact SD-CD 4.38Å; M243-K329 VanDerWaalsContact SD-CE 3.54Å; M243-K329 HydrophobicContact SD-CG 4.15Å
244	E	89.9	Confident	76.3	Confident	119 Å²	119	77.7 Å²	77.7	56%	0.556	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	126	175	-68.8	-179.4	175	0	0	109.9	R289 L325 K326	E244-R289 PolarHBondContact O-NH1 2.86Å; E244-L325 WeakPolarHBondContact CA-O 3.45Å; E244-K326 HydrophobicContact CG-CG 4.11Å; E244-K326 IonicContact OE1-NZ 3.8Å; E244-K326 PolarHBondContact OE1-NZ 2.83Å
245	V	91.8	Very high	76.5	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.7	-170.8	-179	0	0	0	0	109.1	M243 L247 R289 L290 L325	M243-V245 HydrophobicContact CG-CG2 4.15Å; M243-V245 HydrophobicContact SD-CG2 3.76Å; V245-L247 HydrophobicContact CG1-CD2 3.94Å; V245-L247 HydrophobicContact CG1-CG 4.08Å; V245-R289 HydrophobicContact CG1-CB 4.44Å; V245-R289 HydrophobicContact CG2-CB 4.14Å; V245-L290 HydrophobicContact CB-CD2 4.1Å; V245-L290 HydrophobicContact CG1-CD2 4.05Å; V245-L290 HydrophobicContact CG1-CG 4.08Å; V245-L290 HydrophobicContact CG2-CD2 3.88Å; V245-L325 PolarHBondContact N-O 3.2Å; V245-L325 WeakPolarHBondContact O-CB 3.17Å; V245-L325 PolarHBondContact O-N 3.38Å
246	N	90.8	Very high	77.5	Confident	70 Å²	70	67.1 Å²	67.1	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.2	-175.7	-58.3	-14.3	0	0	0	108.4	M322 V323 Y324	N246-M322 HydrophobicContact CB-SD 4.46Å; N246-V323 CarbonylContact C-O 3.24Å; N246-V323 WeakPolarHBondContact CA-O 3.45Å; N246-Y324 HydrophobicContact CB-CD1 4.35Å; N246-Y324 WeakPolarHBondContact ND2-CE1 3.37Å; N246-Y324 WeakPolarHBondContact OD1-CD1 3.48Å
247	L	90.1	Very high	79.1	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.5	-176	-63.1	-176.3	0	0	0	111.3	V245 L254 F256 A284 D287 L290 V323 L325	V245-L247 HydrophobicContact CG1-CD2 3.94Å; V245-L247 HydrophobicContact CG1-CG 4.08Å; L247-L254 HydrophobicContact CB-CD2 3.83Å; L247-L254 HydrophobicContact CD1-CD2 4.26Å; L247-F256 HydrophobicContact CD1-CD1 4.46Å; L247-F256 HydrophobicContact CD1-CE1 4.1Å; L247-A284 HydrophobicContact CD1-CB 3.95Å; L247-D287 HydrophobicContact CD2-CB 3.4Å; L247-L290 HydrophobicContact CD1-CD1 3.78Å; L247-V323 PolarHBondContact N-O 3.48Å; L247-V323 PolarHBondContact O-N 3.16Å; L247-L325 HydrophobicContact CD1-CD1 3.86Å; L247-L325 HydrophobicContact CG-CD1 4.33Å
248	L	87.7	Confident	81.1	Confident	112 Å²	112	62.1 Å²	62.1	59%	0.586	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.5	163	-169	75.9	0	0	0	109.1	G250 A283 D321 M322	L248-G250 PolarHBondContact O-N 3.24Å; L248-A283 WeakPolarHBondContact O-CB 3.5Å; L248-D321 CarbonylContact C-O 3.5Å; L248-D321 WeakPolarHBondContact CA-O 3.41Å; L248-D321 HydrophobicContact CD1-CB 4.28Å; L248-M322 HydrophobicContact CB-CE 4.38Å; L248-M322 HydrophobicContact CD1-CE 4.03Å
249	K	86.9	Confident	82.6	Confident	47 Å²	47	60.4 Å²	60.4	20%	0.204	34%	0.341	C	S	.	.			trans	-60.3	125.2	175.5	-70.7	-175.8	179.5	-178.8	0	110.3	L254 K317 T319 S320 D321 V323	K249-L254 HydrophobicContact CG-CD2 3.83Å; K249-L254 HydrophobicContact CG-CG 4.23Å; K249-K317 PolarHBondContact NZ-O 2.57Å; K249-T319 WeakPolarHBondContact CE-OG1 3.3Å; K249-T319 PolarHBondContact NZ-O 2.96Å; K249-T319 PolarHBondContact NZ-OG1 3.46Å; K249-S320 WeakPolarHBondContact CD-O 3.4Å; K249-S320 WeakPolarHBondContact CE-O 3.46Å; K249-D321 PolarHBondContact N-O 2.87Å; K249-V323 HydrophobicContact CD-CG2 4.43Å; K249-V323 HydrophobicContact CG-CG2 4.2Å
250	G	79.9	Confident	84.2	Confident	29 Å²	29	55.1 Å²	55.1	30%	0.299	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-83.2	-178.4	168.6	0	0	0	0	0	112	L248 K252 G253	L248-G250 PolarHBondContact O-N 3.24Å; G250-K252 PolarHBondContact O-N 3.3Å; G250-G253 PolarHBondContact N-O 2.85Å; G250-G253 WeakPolarHBondContact O-CA 3.48Å; G250-G253 PolarHBondContact O-N 2.74Å
251	P	73.1	Confident	85	Confident	145 Å²	145	52.6 Å²	52.6	94%	0.942	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.1	176	27.6	-36	0	0	0	114.2
252	K	70.9	Confident	84.9	Confident	161 Å²	161	52.2 Å²	52.2	70%	0.7	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	27.2	170.6	-60.7	-174.6	-179.5	-179.7	0	112	G250	G250-K252 PolarHBondContact O-N 3.3Å
253	G	85.9	Confident	84.2	Confident	30 Å²	30	51.3 Å²	51.3	31%	0.309	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	68.9	-144.5	-174.8	0	0	0	0	0	113	G250 G255	G250-G253 PolarHBondContact N-O 2.85Å; G250-G253 WeakPolarHBondContact O-CA 3.48Å; G250-G253 PolarHBondContact O-N 2.74Å; G253-G255 VanDerWaalsContact C-N 3.28Å; G253-G255 PolarHBondContact O-N 3.42Å
254	L	87.6	Confident	83.6	Confident	16 Å²	16	52.5 Å²	52.5	8%	0.084	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.8	-175.4	-65	171.6	0	0	0	114.3	L247 K249 F256 A284 L316 V323	L247-L254 HydrophobicContact CB-CD2 3.83Å; L247-L254 HydrophobicContact CD1-CD2 4.26Å; K249-L254 HydrophobicContact CG-CD2 3.83Å; K249-L254 HydrophobicContact CG-CG 4.23Å; L254-F256 HydrophobicContact CB-CD1 3.88Å; L254-F256 HydrophobicContact CB-CE1 3.57Å; L254-F256 HydrophobicContact CB-CZ 4.3Å; L254-F256 HydrophobicContact CD1-CE1 4Å; L254-F256 HydrophobicContact CD1-CZ 4.04Å; L254-F256 HydrophobicContact CG-CE1 4.36Å; L254-A284 WeakPolarHBondContact O-CB 3.17Å; L254-A284 PolarHBondContact O-N 2.79Å; L254-L316 HydrophobicContact CD1-CD2 3.86Å; L254-V323 HydrophobicContact CD1-CB 4.47Å; L254-V323 HydrophobicContact CD1-CG1 4.29Å; L254-V323 HydrophobicContact CD1-CG2 4.34Å; L254-V323 HydrophobicContact CD2-CB 3.92Å; L254-V323 HydrophobicContact CD2-CG2 3.77Å; L254-V323 HydrophobicContact CG-CG2 4.5Å
255	G	88.1	Confident	82.7	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	76	29.6	175.1	0	0	0	0	0	115.1	G253 I279	G253-G255 VanDerWaalsContact C-N 3.28Å; G253-G255 PolarHBondContact O-N 3.42Å; G255-I279 WeakPolarHBondContact O-CB 3.39Å; G255-I279 PolarHBondContact O-N 2.95Å
256	F	92.1	Very high	81.9	Confident	25 Å²	25	55.3 Å²	55.3	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.7	168.7	64	-96.9	0	0	0	111.6	L247 L254 I258 I275 K277 I278 A284 L290 L296 L316 L325	L247-F256 HydrophobicContact CD1-CD1 4.46Å; L247-F256 HydrophobicContact CD1-CE1 4.1Å; L254-F256 HydrophobicContact CB-CD1 3.88Å; L254-F256 HydrophobicContact CB-CE1 3.57Å; L254-F256 HydrophobicContact CB-CZ 4.3Å; L254-F256 HydrophobicContact CD1-CE1 4Å; L254-F256 HydrophobicContact CD1-CZ 4.04Å; L254-F256 HydrophobicContact CG-CE1 4.36Å; F256-I258 HydrophobicContact CD2-CG2 3.87Å; F256-I258 HydrophobicContact CE2-CG2 3.71Å; F256-I275 HydrophobicContact CB-CG2 4.13Å; F256-I275 HydrophobicContact CD2-CD1 4.1Å; F256-I275 HydrophobicContact CD2-CG1 3.97Å; F256-I275 HydrophobicContact CE2-CD1 4.34Å; F256-I275 HydrophobicContact CE2-CG1 4.29Å; F256-I275 HydrophobicContact CG-CD1 4.3Å; F256-K277 CarbonylContact C-O 3.59Å; F256-K277 WeakPolarHBondContact CA-O 3.23Å; F256-K277 WeakPolarHBondContact CB-O 3.23Å; F256-I278 HydrophobicContact CB-CD1 3.94Å; F256-A284 HydrophobicContact CB-CB 4.37Å; F256-A284 HydrophobicContact CD1-CB 3.84Å; F256-L290 HydrophobicContact CD1-CD1 3.86Å; F256-L290 HydrophobicContact CE1-CD1 3.8Å; F256-L296 HydrophobicContact CE2-CD1 3.82Å; F256-L296 HydrophobicContact CZ-CD1 4.26Å; F256-L316 HydrophobicContact CE2-CD1 4.16Å; F256-L316 HydrophobicContact CE2-CD2 4.28Å; F256-L316 HydrophobicContact CZ-CD2 3.89Å; F256-L325 HydrophobicContact CE1-CD1 3.75Å; F256-L325 HydrophobicContact CZ-CD1 3.9Å
257	S	88.1	Confident	81	Confident	46 Å²	46	55.6 Å²	55.6	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.5	174.8	-54.2	0	0	0	0	110.5	I275 T276 K277	S257-I275 WeakPolarHBondContact O-CA 3.17Å; S257-T276 PolarHBondContact O-N 3.33Å; S257-T276 PolarHBondContact O-OG1 2.95Å; S257-K277 PolarHBondContact N-O 3.37Å
258	I	91.9	Very high	79.1	Confident	25 Å²	25	60.7 Å²	60.7	13%	0.128	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156	179.1	60.8	156.7	0	0	0	112.6	F256 I273 Y274 I275 L296 A312 V313 L316	F256-I258 HydrophobicContact CD2-CG2 3.87Å; F256-I258 HydrophobicContact CE2-CG2 3.71Å; I258-I273 HydrophobicContact CB-CG2 3.96Å; I258-I273 HydrophobicContact CD1-CG2 3.63Å; I258-I273 HydrophobicContact CG1-CG2 4.41Å; I258-I273 HydrophobicContact CG2-CG2 4.16Å; I258-Y274 CarbonylContact C-O 3.59Å; I258-Y274 WeakPolarHBondContact CA-O 3.42Å; I258-Y274 WeakPolarHBondContact CB-O 3.37Å; I258-I275 HydrophobicContact CG2-CG1 4.49Å; I258-L296 HydrophobicContact CG2-CD1 3.63Å; I258-A312 HydrophobicContact CD1-CB 3.94Å; I258-V313 HydrophobicContact CD1-CG2 3.91Å; I258-V313 HydrophobicContact CG1-CG2 4.31Å; I258-L316 HydrophobicContact CD1-CD1 3.66Å; I258-L316 HydrophobicContact CG1-CD1 4.15Å; I258-L316 HydrophobicContact CG2-CD1 4.05Å
259	A	82.1	Confident	77.8	Confident	21 Å²	21	57.9 Å²	57.9	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	174	164.5	0	0	0	0	0	109.9	H266 Y274 T276	A259-H266 HydrophobicContact CB-CB 3.97Å; A259-Y274 PolarHBondContact N-O 2.7Å; A259-Y274 PolarHBondContact O-N 2.72Å; A259-T276 HydrophobicContact CB-CG2 3.44Å; A259-T276 VanDerWaalsContact CB-CG2 3.44Å
260	G	84.6	Confident	77.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	36%	0.358	C	S	.	.			trans	96.3	175.2	-176.9	0	0	0	0	0	113.3	N264 S272 I273 H309	G260-N264 CarbonylContact C-O 3.59Å; G260-N264 WeakPolarHBondContact CA-O 3.36Å; G260-S272 WeakPolarHBondContact CA-O 3.16Å; G260-I273 WeakPolarHBondContact O-CD1 3.37Å; G260-H309 WeakPolarHBondContact O-CB 3.32Å; G260-H309 PolarHBondContact O-ND1 2.97Å
261	G	80	Confident	77.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.353	C	S	.	.			trans	120.7	158.5	-173.7	0	0	0	0	0	112.6	G263 N264 N271 V307	G261-G263 PolarHBondContact O-N 3.18Å; G261-N264 PolarHBondContact N-O 2.81Å; G261-N264 CarbonylContact O-C 3.59Å; G261-N264 VanDerWaalsContact O-C 3.24Å; G261-N264 PolarHBondContact O-N 3.48Å; G261-N271 CarbonylContact C-O 3.46Å; G261-N271 WeakPolarHBondContact CA-O 3.18Å; G261-N271 PolarHBondContact N-O 2.84Å; G261-V307 CarbonylContact C-O 3.55Å; G261-V307 VanDerWaalsContact CA-O 3.23Å; G261-V307 WeakPolarHBondContact CA-O 3.16Å
262	I	72.8	Confident	77.8	Confident	80 Å²	80	51.5 Å²	51.5	41%	0.41	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-55.5	125.9	173.9	-66.2	-172.7	0	0	0	109.9	N264 N271 D306 V307	I262-N264 VanDerWaalsContact C-N 3.28Å; I262-N264 PolarHBondContact O-N 2.77Å; I262-N271 HydrophobicContact CG1-CB 3.91Å; I262-D306 HydrophobicContact CD1-CB 4.16Å; I262-D306 WeakPolarHBondContact CD1-O 3.48Å; I262-V307 PolarHBondContact N-O 3Å
263	G	67.6	Low	78.8	Confident	82 Å²	82	43.9 Å²	43.9	85%	0.845	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-5.1	-179.2	0	0	0	0	0	115.2	G261	G261-G263 PolarHBondContact O-N 3.18Å
264	N	74.6	Confident	79	Confident	87 Å²	87	43.9 Å²	43.9	47%	0.465	27%	0.27	S	S	.	.	S	Bend	trans	-142.6	62.7	176	-171.9	-0.4	0	0	0	109.5	G260 G261 I262 H266 H309	G260-N264 CarbonylContact C-O 3.59Å; G260-N264 WeakPolarHBondContact CA-O 3.36Å; G261-N264 PolarHBondContact N-O 2.81Å; G261-N264 CarbonylContact O-C 3.59Å; G261-N264 VanDerWaalsContact O-C 3.24Å; G261-N264 PolarHBondContact O-N 3.48Å; I262-N264 VanDerWaalsContact C-N 3.28Å; I262-N264 PolarHBondContact O-N 2.77Å; N264-H266 PolarHBondContact O-N 2.84Å; N264-H309 HydrophobicContact CB-CB 4.17Å
265	Q	70.6	Confident	79.2	Confident	83 Å²	83	43.1 Å²	43.1	39%	0.388	27%	0.266	S	S	.	.			trans	-69.9	125.6	-174.4	-64.2	-174.3	-28.8	0	0	110.9	D270 N271	Q265-D270 WeakPolarHBondContact CB-O 3.48Å; Q265-D270 VanDerWaalsContact CG-O 3.3Å; Q265-D270 WeakPolarHBondContact CG-O 3.49Å; Q265-N271 PolarHBondContact NE2-OD1 2.89Å
266	H	74.1	Confident	79.1	Confident	95 Å²	95	45.1 Å²	45.1	44%	0.44	28%	0.278	S	S	.	.	S	Bend	trans	-77.6	-33.7	175.6	-177.1	38.4	0	0	0	112	A259 N264 Y274	A259-H266 HydrophobicContact CB-CB 3.97Å; N264-H266 PolarHBondContact O-N 2.84Å; H266-Y274 HydrophobicContact CB-CD2 4.42Å
267	I	71.9	Confident	78.8	Confident	77 Å²	77	50.1 Å²	50.1	40%	0.395	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-117.1	124.8	173.5	-60	176.6	0	0	0	106.4	G269 D270 Y274	I267-G269 PolarHBondContact O-N 2.97Å; I267-D270 HydrophobicContact CB-CB 4.26Å; I267-D270 PolarHBondContact O-N 2.78Å; I267-Y274 HydrophobicContact CD1-CD2 4.43Å; I267-Y274 HydrophobicContact CD1-CE1 4.4Å; I267-Y274 HydrophobicContact CD1-CE2 3.78Å; I267-Y274 HydrophobicContact CG1-CE2 4.32Å
268	P	49.8	Very low	78.8	Confident	110 Å²	110	49.5 Å²	49.5	71%	0.714	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	123.4	-176.6	-27.9	35.8	0	0	0	113
269	G	60.4	Low	78.6	Confident	54 Å²	54	50.9 Å²	50.9	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-7.4	-175.2	0	0	0	0	0	115.2	I267	I267-G269 PolarHBondContact O-N 2.97Å
270	D	74.8	Confident	78.6	Confident	38 Å²	38	57.5 Å²	57.5	20%	0.203	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-116.8	126.3	180	-174.6	9.3	0	0	0	112.5	Q265 I267 S272 Y274	Q265-D270 WeakPolarHBondContact CB-O 3.48Å; Q265-D270 VanDerWaalsContact CG-O 3.3Å; Q265-D270 WeakPolarHBondContact CG-O 3.49Å; I267-D270 HydrophobicContact CB-CB 4.26Å; I267-D270 PolarHBondContact O-N 2.78Å; D270-S272 VanDerWaalsContact OD1-CB 3.22Å; D270-S272 WeakPolarHBondContact OD1-CB 3.3Å; D270-S272 PolarHBondContact OD1-N 3.17Å; D270-S272 PolarHBondContact OD1-OG 2.78Å; D270-S272 WeakPolarHBondContact OD2-CB 3.27Å; D270-S272 PolarHBondContact OD2-OG 2.92Å; D270-Y274 WeakPolarHBondContact OD2-CE2 3.46Å; D270-Y274 PolarHBondContact OD2-OH 2.95Å
271	N	80.1	Confident	78.4	Confident	36 Å²	36	59.5 Å²	59.5	19%	0.193	35%	0.347	C	S	.	.			trans	-87.7	-3.1	178.4	-58.1	-37.2	0	0	0	113.3	G261 I262 Q265 D306	G261-N271 CarbonylContact C-O 3.46Å; G261-N271 WeakPolarHBondContact CA-O 3.18Å; G261-N271 PolarHBondContact N-O 2.84Å; I262-N271 HydrophobicContact CG1-CB 3.91Å; Q265-N271 PolarHBondContact NE2-OD1 2.89Å; N271-D306 WeakPolarHBondContact CB-OD1 3.42Å; N271-D306 PolarHBondContact ND2-OD1 2.81Å
272	S	85.8	Confident	78.7	Confident	13 Å²	13	59.8 Å²	59.8	9%	0.091	35%	0.35	C	S	.	.			trans	-63.2	151.7	-174	-57.6	0	0	0	0	113.6	G260 D270 Y274 R295	G260-S272 WeakPolarHBondContact CA-O 3.16Å; D270-S272 VanDerWaalsContact OD1-CB 3.22Å; D270-S272 WeakPolarHBondContact OD1-CB 3.3Å; D270-S272 PolarHBondContact OD1-N 3.17Å; D270-S272 PolarHBondContact OD1-OG 2.78Å; D270-S272 WeakPolarHBondContact OD2-CB 3.27Å; D270-S272 PolarHBondContact OD2-OG 2.92Å; S272-Y274 WeakPolarHBondContact O-CD2 3.39Å; S272-R295 PolarHBondContact OG-NH1 3.3Å
273	I	90.9	Very high	79.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.9	175.3	-51.9	-57.1	0	0	0	110	I258 G260 R295 L296 L304 V307 A312	I258-I273 HydrophobicContact CB-CG2 3.96Å; I258-I273 HydrophobicContact CD1-CG2 3.63Å; I258-I273 HydrophobicContact CG1-CG2 4.41Å; I258-I273 HydrophobicContact CG2-CG2 4.16Å; G260-I273 WeakPolarHBondContact O-CD1 3.37Å; I273-R295 CarbonylContact O-C 3.58Å; I273-R295 WeakPolarHBondContact O-CA 3.42Å; I273-L296 HydrophobicContact CB-CB 4.27Å; I273-L296 HydrophobicContact CG2-CB 4.19Å; I273-L296 HydrophobicContact CG2-CD1 4.15Å; I273-L296 PolarHBondContact O-N 3.27Å; I273-L304 HydrophobicContact CG1-CB 4.14Å; I273-L304 HydrophobicContact CG1-CD1 4.47Å; I273-V307 HydrophobicContact CD1-CG2 4.1Å; I273-V307 HydrophobicContact CG1-CG2 4.11Å; I273-A312 HydrophobicContact CD1-CB 3.62Å; I273-A312 HydrophobicContact CG1-CB 3.74Å; I273-A312 HydrophobicContact CG2-CB 4.28Å
274	Y	90.8	Very high	80.5	Confident	29 Å²	29	52.8 Å²	52.8	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.6	-177.7	-74.8	-80.1	0	0	0	112.5	I258 A259 H266 I267 D270 S272 T276 D294 R295	I258-Y274 CarbonylContact C-O 3.59Å; I258-Y274 WeakPolarHBondContact CA-O 3.42Å; I258-Y274 WeakPolarHBondContact CB-O 3.37Å; A259-Y274 PolarHBondContact N-O 2.7Å; A259-Y274 PolarHBondContact O-N 2.72Å; H266-Y274 HydrophobicContact CB-CD2 4.42Å; I267-Y274 HydrophobicContact CD1-CD2 4.43Å; I267-Y274 HydrophobicContact CD1-CE1 4.4Å; I267-Y274 HydrophobicContact CD1-CE2 3.78Å; I267-Y274 HydrophobicContact CG1-CE2 4.32Å; D270-Y274 WeakPolarHBondContact OD2-CE2 3.46Å; D270-Y274 PolarHBondContact OD2-OH 2.95Å; S272-Y274 WeakPolarHBondContact O-CD2 3.39Å; Y274-T276 PolarHBondContact O-N 2.66Å; Y274-D294 CarbonylContact C-O 3.49Å; Y274-D294 WeakPolarHBondContact CA-O 3.24Å; Y274-R295 HydrophobicContact CD1-CB 4.02Å; Y274-R295 HydrophobicContact CD1-CG 4.19Å; Y274-R295 HydrophobicContact CE1-CB 3.72Å; Y274-R295 HydrophobicContact CE1-CG 3.77Å; Y274-R295 VanDerWaalsContact OH-CD 3.3Å; Y274-R295 WeakPolarHBondContact OH-CD 3.35Å
275	I	91.9	Very high	81.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.2	168.8	-64	-179.7	0	0	0	109.4	F256 S257 I258 I278 L290 Q291 G293 D294 L296	F256-I275 HydrophobicContact CB-CG2 4.13Å; F256-I275 HydrophobicContact CD2-CD1 4.1Å; F256-I275 HydrophobicContact CD2-CG1 3.97Å; F256-I275 HydrophobicContact CE2-CD1 4.34Å; F256-I275 HydrophobicContact CE2-CG1 4.29Å; F256-I275 HydrophobicContact CG-CD1 4.3Å; S257-I275 WeakPolarHBondContact O-CA 3.17Å; I258-I275 HydrophobicContact CG2-CG1 4.49Å; I275-I278 HydrophobicContact CG2-CD1 3.81Å; I275-L290 HydrophobicContact CD1-CB 4.16Å; I275-L290 HydrophobicContact CD1-CD1 3.9Å; I275-L290 HydrophobicContact CD1-CD2 4.26Å; I275-L290 HydrophobicContact CD1-CG 4.34Å; I275-Q291 WeakPolarHBondContact CG2-O 3.35Å; I275-G293 PolarHBondContact O-N 2.94Å; I275-D294 HydrophobicContact CB-CB 4.19Å; I275-D294 HydrophobicContact CD1-CB 3.93Å; I275-D294 HydrophobicContact CG1-CB 4.22Å; I275-D294 PolarHBondContact N-O 2.91Å; I275-L296 HydrophobicContact CD1-CD2 3.98Å; I275-L296 HydrophobicContact CD1-CG 4.43Å; I275-L296 HydrophobicContact CG1-CD1 4.3Å; I275-L296 HydrophobicContact CG1-CD2 4.21Å; I275-L296 HydrophobicContact CG1-CG 4.1Å
276	T	86	Confident	81.9	Confident	45 Å²	45	56.9 Å²	56.9	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-18.2	-178.8	51.2	0	0	0	0	113.9	S257 A259 Y274 I292	S257-T276 PolarHBondContact O-N 3.33Å; S257-T276 PolarHBondContact O-OG1 2.95Å; A259-T276 HydrophobicContact CB-CG2 3.44Å; A259-T276 VanDerWaalsContact CB-CG2 3.44Å; Y274-T276 PolarHBondContact O-N 2.66Å; T276-I292 WeakPolarHBondContact O-CG2 3.42Å
277	K	85.8	Confident	82.6	Confident	129 Å²	129	54.9 Å²	54.9	56%	0.561	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155	136.3	178.8	-168.1	166.1	-175.7	168.6	0	111.5	F256 S257	F256-K277 CarbonylContact C-O 3.59Å; F256-K277 WeakPolarHBondContact CA-O 3.23Å; F256-K277 WeakPolarHBondContact CB-O 3.23Å; S257-K277 PolarHBondContact N-O 3.37Å
278	I	88.4	Confident	83.3	Confident	34 Å²	34	53.6 Å²	53.6	17%	0.174	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.7	162.5	-58.1	-60.5	0	0	0	108	F256 I275 A284 Q285 L290 I292	F256-I278 HydrophobicContact CB-CD1 3.94Å; I275-I278 HydrophobicContact CG2-CD1 3.81Å; I278-A284 HydrophobicContact CD1-CB 4.32Å; I278-Q285 HydrophobicContact CG2-CB 3.6Å; I278-Q285 HydrophobicContact CG2-CG 3.91Å; I278-L290 HydrophobicContact CD1-CB 3.94Å; I278-I292 HydrophobicContact CG1-CG1 4.22Å
279	I	86.9	Confident	85	Confident	53 Å²	53	53.3 Å²	53.3	27%	0.272	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-95.3	125.9	-175.6	-58.1	176.6	0	0	0	109.6	G255 G281 G282	G255-I279 WeakPolarHBondContact O-CB 3.39Å; G255-I279 PolarHBondContact O-N 2.95Å; I279-G281 PolarHBondContact O-N 3.24Å; I279-G282 WeakPolarHBondContact O-CA 3.47Å; I279-G282 PolarHBondContact O-N 3.4Å
280	E	83.2	Confident	86.5	Confident	161 Å²	161	51 Å²	51	75%	0.752	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	134	-179.3	-167.6	170.9	-162.2	0	0	112.7	G282	E280-G282 PolarHBondContact O-N 3.44Å
281	G	80.6	Confident	87.1	Confident	41 Å²	41	54.7 Å²	54.7	42%	0.423	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-2	-171.6	0	0	0	0	0	115.2	I279 K286	I279-G281 PolarHBondContact O-N 3.24Å; G281-K286 WeakPolarHBondContact O-CE 3.43Å; G281-K286 PolarHBondContact O-NZ 2.76Å
282	G	85.9	Confident	87.4	Confident	6 Å²	6	58.4 Å²	58.4	6%	0.062	30%	0.302	C	S	.	.	S	Bend	trans	-73.8	168.2	179.7	0	0	0	0	0	114	I279 E280 Q285 K286	I279-G282 WeakPolarHBondContact O-CA 3.47Å; I279-G282 PolarHBondContact O-N 3.4Å; E280-G282 PolarHBondContact O-N 3.44Å; G282-Q285 PolarHBondContact O-N 3.12Å; G282-K286 WeakPolarHBondContact O-CG 3.24Å; G282-K286 PolarHBondContact O-N 2.85Å; G282-K286 VanDerWaalsContact O-N 3.11Å
283	A	88	Confident	87.2	Confident	16 Å²	16	59.3 Å²	59.3	13%	0.132	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-47	-175.9	0	0	0	0	0	112.6	L248 Q285 K286 D287	L248-A283 WeakPolarHBondContact O-CB 3.5Å; A283-Q285 PolarHBondContact O-N 3.06Å; A283-K286 PolarHBondContact O-N 2.75Å; A283-D287 PolarHBondContact O-N 3.28Å
284	A	90.1	Very high	87	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-36.4	176.8	0	0	0	0	0	114.1	L247 L254 F256 I278 K286 G288 L290	L247-A284 HydrophobicContact CD1-CB 3.95Å; L254-A284 WeakPolarHBondContact O-CB 3.17Å; L254-A284 PolarHBondContact O-N 2.79Å; F256-A284 HydrophobicContact CB-CB 4.37Å; F256-A284 HydrophobicContact CD1-CB 3.84Å; I278-A284 HydrophobicContact CD1-CB 4.32Å; A284-K286 VanDerWaalsContact C-N 3.35Å; A284-G288 PolarHBondContact O-N 3.24Å; A284-L290 HydrophobicContact CB-CB 4.29Å; A284-L290 HydrophobicContact CB-CD1 3.95Å
285	Q	88.3	Confident	87.1	Confident	90 Å²	90	60.3 Å²	60.3	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-36.2	175.1	-158.1	-160	28.8	0	0	111.8	I278 G282 A283 G288	I278-Q285 HydrophobicContact CG2-CB 3.6Å; I278-Q285 HydrophobicContact CG2-CG 3.91Å; G282-Q285 PolarHBondContact O-N 3.12Å; A283-Q285 PolarHBondContact O-N 3.06Å; Q285-G288 PolarHBondContact O-N 2.9Å
286	K	86.9	Confident	87.1	Confident	166 Å²	166	60.3 Å²	60.3	72%	0.722	32%	0.318	S	S	*	.	H	α-helix	trans	-72.9	-29.4	178	-74.4	172.6	173.3	164	0	113.4	G281 G282 A283 A284	G281-K286 WeakPolarHBondContact O-CE 3.43Å; G281-K286 PolarHBondContact O-NZ 2.76Å; G282-K286 WeakPolarHBondContact O-CG 3.24Å; G282-K286 PolarHBondContact O-N 2.85Å; G282-K286 VanDerWaalsContact O-N 3.11Å; A283-K286 PolarHBondContact O-N 2.75Å; A284-K286 VanDerWaalsContact C-N 3.35Å
287	D	88.6	Confident	87.3	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-77.1	-34.3	170.7	179.8	-89.5	0	0	0	112	L247 A283 R289	L247-D287 HydrophobicContact CD2-CB 3.4Å; A283-D287 PolarHBondContact O-N 3.28Å; D287-R289 PolarHBondContact O-N 2.85Å; D287-R289 VanDerWaalsContact O-N 3.1Å; D287-R289 VanDerWaalsContact OD1-CB 3.28Å; D287-R289 WeakPolarHBondContact OD1-CB 3.17Å; D287-R289 WeakPolarHBondContact OD1-CG 3.39Å; D287-R289 IonicContact OD1-CZ 3.08Å; D287-R289 PolarHBondContact OD1-N 3.34Å; D287-R289 IonicContact OD1-NE 3.4Å; D287-R289 PolarHBondContact OD1-NE 3.35Å; D287-R289 IonicContact OD1-NH2 2.72Å; D287-R289 IonicContact OD2-CZ 3.37Å; D287-R289 IonicContact OD2-NE 2.72Å; D287-R289 PolarHBondContact OD2-NE 2.66Å; D287-R289 IonicContact OD2-NH2 2.7Å; D287-R289 PolarHBondContact OD2-NH2 2.83Å
288	G	85.4	Confident	87.5	Confident	50 Å²	50	53.3 Å²	53.3	52%	0.515	29%	0.287	S	S	.	.			trans	75.3	-9.9	170.4	0	0	0	0	0	115.8	A284 Q285	A284-G288 PolarHBondContact O-N 3.24Å; Q285-G288 PolarHBondContact O-N 2.9Å
289	R	87.1	Confident	87.7	Confident	104 Å²	104	51.8 Å²	51.8	39%	0.392	28%	0.279	S	S	.	.			trans	-77.1	-29.8	179.7	-62.6	178.4	-74.6	174.6	-10.3	113.2	E244 V245 D287 K329	E244-R289 PolarHBondContact O-NH1 2.86Å; V245-R289 HydrophobicContact CG1-CB 4.44Å; V245-R289 HydrophobicContact CG2-CB 4.14Å; D287-R289 PolarHBondContact O-N 2.85Å; D287-R289 VanDerWaalsContact O-N 3.1Å; D287-R289 VanDerWaalsContact OD1-CB 3.28Å; D287-R289 WeakPolarHBondContact OD1-CB 3.17Å; D287-R289 WeakPolarHBondContact OD1-CG 3.39Å; D287-R289 IonicContact OD1-CZ 3.08Å; D287-R289 PolarHBondContact OD1-N 3.34Å; D287-R289 IonicContact OD1-NE 3.4Å; D287-R289 PolarHBondContact OD1-NE 3.35Å; D287-R289 IonicContact OD1-NH2 2.72Å; D287-R289 IonicContact OD2-CZ 3.37Å; D287-R289 IonicContact OD2-NE 2.72Å; D287-R289 PolarHBondContact OD2-NE 2.66Å; D287-R289 IonicContact OD2-NH2 2.7Å; D287-R289 PolarHBondContact OD2-NH2 2.83Å; R289-K329 VanDerWaalsContact O-CE 3.26Å; R289-K329 WeakPolarHBondContact O-CE 3.35Å; R289-K329 PolarHBondContact O-NZ 2.95Å
290	L	91.3	Very high	87.7	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	28%	0.279	C	S	.	.			trans	-83.6	139.5	177.5	-59	-174.2	0	0	0	112	V245 L247 F256 I275 I278 A284 D294 L325 V327	V245-L290 HydrophobicContact CB-CD2 4.1Å; V245-L290 HydrophobicContact CG1-CD2 4.05Å; V245-L290 HydrophobicContact CG1-CG 4.08Å; V245-L290 HydrophobicContact CG2-CD2 3.88Å; L247-L290 HydrophobicContact CD1-CD1 3.78Å; F256-L290 HydrophobicContact CD1-CD1 3.86Å; F256-L290 HydrophobicContact CE1-CD1 3.8Å; I275-L290 HydrophobicContact CD1-CB 4.16Å; I275-L290 HydrophobicContact CD1-CD1 3.9Å; I275-L290 HydrophobicContact CD1-CD2 4.26Å; I275-L290 HydrophobicContact CD1-CG 4.34Å; I278-L290 HydrophobicContact CD1-CB 3.94Å; A284-L290 HydrophobicContact CB-CB 4.29Å; A284-L290 HydrophobicContact CB-CD1 3.95Å; L290-D294 VanDerWaalsContact CA-OD2 3.31Å; L290-D294 WeakPolarHBondContact CA-OD2 3.45Å; L290-L325 HydrophobicContact CD1-CD1 3.9Å; L290-V327 HydrophobicContact CD2-CB 4.42Å; L290-V327 HydrophobicContact CD2-CG1 4.19Å; L290-V327 HydrophobicContact CD2-CG2 3.89Å
291	Q	87.7	Confident	87.7	Confident	114 Å²	114	52.1 Å²	52.1	53%	0.533	29%	0.286	S	S	.	.			trans	-132.9	169.6	-178.4	-68.8	164.7	-42.4	0	0	110.6	I275 D294	I275-Q291 WeakPolarHBondContact CG2-O 3.35Å; Q291-D294 PolarHBondContact N-OD2 2.86Å; Q291-D294 WeakPolarHBondContact O-CB 3.47Å; Q291-D294 VanDerWaalsContact O-CG 3.22Å
292	I	86.7	Confident	87.9	Confident	114 Å²	114	53.5 Å²	53.5	59%	0.585	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	135	172.6	-59.7	177.6	0	0	0	108.2	T276 I278	T276-I292 WeakPolarHBondContact O-CG2 3.42Å; I278-I292 HydrophobicContact CG1-CG1 4.22Å
293	G	79.9	Confident	88	Confident	32 Å²	32	57.3 Å²	57.3	33%	0.33	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-7.1	-172.7	0	0	0	0	0	114.7	I275	I275-G293 PolarHBondContact O-N 2.94Å
294	D	88.6	Confident	88.1	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.011	30%	0.299	C	S	.	.			trans	-63.2	137.9	173.6	-74.6	7	0	0	0	111.8	Y274 I275 L290 Q291 V327 K329	Y274-D294 CarbonylContact C-O 3.49Å; Y274-D294 WeakPolarHBondContact CA-O 3.24Å; I275-D294 HydrophobicContact CB-CB 4.19Å; I275-D294 HydrophobicContact CD1-CB 3.93Å; I275-D294 HydrophobicContact CG1-CB 4.22Å; I275-D294 PolarHBondContact N-O 2.91Å; L290-D294 VanDerWaalsContact CA-OD2 3.31Å; L290-D294 WeakPolarHBondContact CA-OD2 3.45Å; Q291-D294 PolarHBondContact N-OD2 2.86Å; Q291-D294 WeakPolarHBondContact O-CB 3.47Å; Q291-D294 VanDerWaalsContact O-CG 3.22Å; D294-V327 HydrophobicContact CB-CG1 3.73Å; D294-K329 WeakPolarHBondContact OD1-CD 3.37Å; D294-K329 WeakPolarHBondContact OD1-CE 3.18Å; D294-K329 IonicContact OD1-NZ 2.77Å; D294-K329 PolarHBondContact OD1-NZ 3.01Å; D294-K329 WeakPolarHBondContact OD2-CE 3.29Å; D294-K329 IonicContact OD2-NZ 3.57Å; D294-K329 PolarHBondContact OD2-NZ 2.92Å
295	R	90.9	Very high	87.7	Confident	49 Å²	49	61.5 Å²	61.5	19%	0.185	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.5	179.7	-163.9	162.9	80.5	127	-10.4	110.9	E240 S272 I273 Y274 L297 V327 A328	E240-R295 VanDerWaalsContact CD-NE 3.33Å; E240-R295 WeakPolarHBondContact OE1-CD 3.3Å; E240-R295 IonicContact OE1-CZ 2.68Å; E240-R295 IonicContact OE1-NE 3.5Å; E240-R295 PolarHBondContact OE1-NE 2.86Å; E240-R295 IonicContact OE1-NH2 2.8Å; E240-R295 PolarHBondContact OE1-NH2 3.05Å; E240-R295 IonicContact OE2-CZ 3.46Å; E240-R295 VanDerWaalsContact OE2-CZ 3.29Å; E240-R295 IonicContact OE2-NE 3.93Å; E240-R295 PolarHBondContact OE2-NE 3.1Å; E240-R295 IonicContact OE2-NH2 3.72Å; E240-R295 PolarHBondContact OE2-NH2 2.81Å; S272-R295 PolarHBondContact OG-NH1 3.3Å; I273-R295 CarbonylContact O-C 3.58Å; I273-R295 WeakPolarHBondContact O-CA 3.42Å; Y274-R295 HydrophobicContact CD1-CB 4.02Å; Y274-R295 HydrophobicContact CD1-CG 4.19Å; Y274-R295 HydrophobicContact CE1-CB 3.72Å; Y274-R295 HydrophobicContact CE1-CG 3.77Å; Y274-R295 VanDerWaalsContact OH-CD 3.3Å; Y274-R295 WeakPolarHBondContact OH-CD 3.35Å; R295-L297 HydrophobicContact CG-CD2 4.45Å; R295-L297 PolarHBondContact O-N 2.88Å; R295-V327 CarbonylContact O-C 3.53Å; R295-V327 WeakPolarHBondContact O-CA 3.49Å; R295-A328 HydrophobicContact CB-CB 4.05Å; R295-A328 PolarHBondContact N-O 3.31Å; R295-A328 PolarHBondContact O-N 2.89Å
296	L	92.1	Very high	87.3	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.3	179	-65.5	-177.9	0	0	0	110.6	F256 I258 I273 I275 L304 L316 V327	F256-L296 HydrophobicContact CE2-CD1 3.82Å; F256-L296 HydrophobicContact CZ-CD1 4.26Å; I258-L296 HydrophobicContact CG2-CD1 3.63Å; I273-L296 HydrophobicContact CB-CB 4.27Å; I273-L296 HydrophobicContact CG2-CB 4.19Å; I273-L296 HydrophobicContact CG2-CD1 4.15Å; I273-L296 PolarHBondContact O-N 3.27Å; I275-L296 HydrophobicContact CD1-CD2 3.98Å; I275-L296 HydrophobicContact CD1-CG 4.43Å; I275-L296 HydrophobicContact CG1-CD1 4.3Å; I275-L296 HydrophobicContact CG1-CD2 4.21Å; I275-L296 HydrophobicContact CG1-CG 4.1Å; L296-L304 HydrophobicContact CB-CD1 4.27Å; L296-L316 HydrophobicContact CD1-CD1 4.25Å; L296-V327 HydrophobicContact CD2-CG1 4.32Å; L296-V327 HydrophobicContact CD2-CG2 3.7Å
297	L	90.1	Very high	87.2	Confident	13 Å²	13	55.3 Å²	55.3	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-36.4	179.5	-55.2	-179.6	0	0	0	112.1	I242 R295 N303 L304 K326 A328	I242-L297 HydrophobicContact CD1-CD1 3.82Å; I242-L297 HydrophobicContact CG1-CD1 3.91Å; I242-L297 HydrophobicContact CG2-CD1 4.1Å; R295-L297 HydrophobicContact CG-CD2 4.45Å; R295-L297 PolarHBondContact O-N 2.88Å; L297-N303 PolarHBondContact O-OD1 2.99Å; L297-L304 PolarHBondContact O-N 3.46Å; L297-K326 WeakPolarHBondContact CA-O 3.14Å; L297-K326 HydrophobicContact CB-CB 4.44Å; L297-K326 WeakPolarHBondContact CB-O 3.44Å; L297-K326 PolarHBondContact N-O 2.95Å; L297-A328 HydrophobicContact CD1-CB 3.89Å; L297-A328 HydrophobicContact CD2-CB 4.22Å; L297-A328 HydrophobicContact CG-CB 4.08Å
298	A	90.4	Very high	87.1	Confident	14 Å²	14	59.8 Å²	59.8	12%	0.116	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.3	177.8	0	0	0	0	0	113.3	T302 K326	A298-T302 CarbonylContact C-O 3.5Å; A298-T302 VanDerWaalsContact CA-O 3.22Å; A298-T302 WeakPolarHBondContact CA-O 3.2Å; A298-T302 WeakPolarHBondContact CB-O 3.49Å; A298-K326 HydrophobicContact CB-CB 3.86Å; A298-K326 PolarHBondContact N-O 2.86Å; A298-K326 PolarHBondContact O-N 2.97Å
299	V	92.6	Very high	87.1	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116.5	173.8	178.6	0	0	0	0	108.5	N301 T302 L304 L316 T319 V323 L325	V299-N301 PolarHBondContact O-N 3.4Å; V299-T302 PolarHBondContact N-O 3.4Å; V299-T302 WeakPolarHBondContact O-CB 3.42Å; V299-T302 PolarHBondContact O-N 2.97Å; V299-L304 HydrophobicContact CG2-CD1 3.53Å; V299-L304 HydrophobicContact CG2-CG 4.13Å; V299-L316 HydrophobicContact CG1-CD2 4.15Å; V299-L316 HydrophobicContact CG2-CD2 3.53Å; V299-L316 HydrophobicContact CG2-CG 4Å; V299-T319 HydrophobicContact CG1-CG2 3.67Å; V299-V323 HydrophobicContact CG1-CG1 3.82Å; V299-L325 HydrophobicContact CB-CD2 4.36Å; V299-L325 HydrophobicContact CG1-CD2 4.21Å; V299-L325 HydrophobicContact CG2-CD2 3.8Å
300	N	88.3	Confident	87.1	Confident	52 Å²	52	61.7 Å²	61.7	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-117.3	-163.1	-64.8	-8.4	0	0	0	110	Y324	N300-Y324 PolarHBondContact N-O 3.26Å; N300-Y324 PolarHBondContact OD1-N 3.4Å
301	N	81.6	Confident	87	Confident	169 Å²	169	65.8 Å²	65.8	90%	0.904	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	4.3	179.5	-62.4	6.2	0	0	0	113	V299	V299-N301 PolarHBondContact O-N 3.4Å
302	T	85.1	Confident	87	Confident	71 Å²	71	60.3 Å²	60.3	44%	0.436	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.6	-177.4	-53	0	0	0	0	110.4	A298 V299 L304	A298-T302 CarbonylContact C-O 3.5Å; A298-T302 VanDerWaalsContact CA-O 3.22Å; A298-T302 WeakPolarHBondContact CA-O 3.2Å; A298-T302 WeakPolarHBondContact CB-O 3.49Å; V299-T302 PolarHBondContact N-O 3.4Å; V299-T302 WeakPolarHBondContact O-CB 3.42Å; V299-T302 PolarHBondContact O-N 2.97Å; T302-L304 HydrophobicContact CG2-CD2 4.47Å
303	N	88.4	Confident	87	Confident	85 Å²	85	56.5 Å²	56.5	46%	0.455	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.6	172.3	-170	-2.3	0	0	0	110.3	L297 Q305	L297-N303 PolarHBondContact O-OD1 2.99Å; N303-Q305 PolarHBondContact ND2-OE1 2.88Å; N303-Q305 WeakPolarHBondContact OD1-CB 3.41Å; N303-Q305 WeakPolarHBondContact OD1-CG 3.31Å; N303-Q305 PolarHBondContact OD1-N 3.27Å
304	L	89.1	Confident	87.4	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.294	C	S	.	.			trans	-113.1	10.3	176.8	-63.3	-165.4	0	0	0	113.8	I273 L296 L297 V299 T302 V307 A312	I273-L304 HydrophobicContact CG1-CB 4.14Å; I273-L304 HydrophobicContact CG1-CD1 4.47Å; L296-L304 HydrophobicContact CB-CD1 4.27Å; L297-L304 PolarHBondContact O-N 3.46Å; V299-L304 HydrophobicContact CG2-CD1 3.53Å; V299-L304 HydrophobicContact CG2-CG 4.13Å; T302-L304 HydrophobicContact CG2-CD2 4.47Å; L304-V307 HydrophobicContact CB-CG2 4.3Å; L304-V307 HydrophobicContact CD2-CG2 4.26Å; L304-V307 WeakPolarHBondContact O-CG2 3.03Å; L304-A312 HydrophobicContact CD1-CB 4.1Å; L304-A312 HydrophobicContact CD2-CB 4.2Å
305	Q	82.9	Confident	87.5	Confident	103 Å²	103	58.6 Å²	58.6	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	133.4	168.9	-67.2	171	-25	0	0	110.6	N303 V307	N303-Q305 PolarHBondContact ND2-OE1 2.88Å; N303-Q305 WeakPolarHBondContact OD1-CB 3.41Å; N303-Q305 WeakPolarHBondContact OD1-CG 3.31Å; N303-Q305 PolarHBondContact OD1-N 3.27Å; Q305-V307 PolarHBondContact O-N 3.36Å; Q305-V307 VanDerWaalsContact O-N 3.1Å
306	D	79.6	Confident	87.4	Confident	105 Å²	105	57.2 Å²	57.2	56%	0.561	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	32.7	176.9	-71.2	-65.7	0	0	0	115.2	I262 N271	I262-D306 HydrophobicContact CD1-CB 4.16Å; I262-D306 WeakPolarHBondContact CD1-O 3.48Å; N271-D306 WeakPolarHBondContact CB-OD1 3.42Å; N271-D306 PolarHBondContact ND2-OD1 2.81Å
307	V	84.2	Confident	87.1	Confident	22 Å²	22	64.7 Å²	64.7	13%	0.133	33%	0.331	C	S	.	.			trans	-90.5	161.9	171	-56	0	0	0	0	111.3	G261 I262 I273 L304 Q305 E311 A312	G261-V307 CarbonylContact C-O 3.55Å; G261-V307 VanDerWaalsContact CA-O 3.23Å; G261-V307 WeakPolarHBondContact CA-O 3.16Å; I262-V307 PolarHBondContact N-O 3Å; I273-V307 HydrophobicContact CD1-CG2 4.1Å; I273-V307 HydrophobicContact CG1-CG2 4.11Å; L304-V307 HydrophobicContact CB-CG2 4.3Å; L304-V307 HydrophobicContact CD2-CG2 4.26Å; L304-V307 WeakPolarHBondContact O-CG2 3.03Å; Q305-V307 PolarHBondContact O-N 3.36Å; Q305-V307 VanDerWaalsContact O-N 3.1Å; V307-E311 HydrophobicContact CB-CB 4.16Å; V307-A312 HydrophobicContact CG2-CB 3.94Å
308	R	86.5	Confident	86.9	Confident	146 Å²	146	71.1 Å²	71.1	55%	0.551	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-71.5	152.5	167.5	-59.5	-179.2	177.4	-148.3	-4	110.6	E310 E311 A312	R308-E310 PolarHBondContact O-N 2.92Å; R308-E311 HydrophobicContact CB-CB 4.45Å; R308-E311 HydrophobicContact CB-CG 4.07Å; R308-E311 WeakPolarHBondContact CD-OE1 3.4Å; R308-E311 PolarHBondContact N-OE2 3.03Å; R308-E311 IonicContact NE-OE1 2.83Å; R308-E311 WeakPolarHBondContact O-CB 3.46Å; R308-E311 PolarHBondContact O-N 2.58Å; R308-A312 PolarHBondContact O-N 3.28Å; R308-A312 VanDerWaalsContact O-N 3.16Å
309	H	86.8	Confident	86.7	Confident	47 Å²	47	71.8 Å²	71.8	22%	0.218	37%	0.368	C	S	.	.	H	α-helix	trans	-52.1	-42.8	176	-174.4	77.5	0	0	0	112.5	G260 N264 E311 A312 V313	G260-H309 WeakPolarHBondContact O-CB 3.32Å; G260-H309 PolarHBondContact O-ND1 2.97Å; N264-H309 HydrophobicContact CB-CB 4.17Å; H309-E311 VanDerWaalsContact C-N 3.32Å; H309-E311 PolarHBondContact O-N 2.91Å; H309-A312 PolarHBondContact O-N 3.14Å; H309-V313 WeakPolarHBondContact O-CG2 3.48Å; H309-V313 PolarHBondContact O-N 3.46Å
310	E	87.3	Confident	86.3	Confident	148 Å²	148	75.3 Å²	75.3	69%	0.692	39%	0.392	S	S	*	.	H	α-helix	trans	-61.6	-36.2	177.8	-61.5	-179.8	166.3	0	0	113	R308 V313 A314	R308-E310 PolarHBondContact O-N 2.92Å; E310-V313 PolarHBondContact O-N 3.25Å; E310-A314 WeakPolarHBondContact O-CB 3.19Å; E310-A314 PolarHBondContact O-N 3.49Å
311	E	87.4	Confident	86	Confident	91 Å²	91	78.6 Å²	78.6	43%	0.425	41%	0.41	S	S	.	.	H	α-helix	trans	-73.6	-37.4	-178.9	-67.3	159.7	-177.7	0	0	111.1	V307 R308 H309 A314 S315	V307-E311 HydrophobicContact CB-CB 4.16Å; R308-E311 HydrophobicContact CB-CB 4.45Å; R308-E311 HydrophobicContact CB-CG 4.07Å; R308-E311 WeakPolarHBondContact CD-OE1 3.4Å; R308-E311 PolarHBondContact N-OE2 3.03Å; R308-E311 IonicContact NE-OE1 2.83Å; R308-E311 WeakPolarHBondContact O-CB 3.46Å; R308-E311 PolarHBondContact O-N 2.58Å; H309-E311 VanDerWaalsContact C-N 3.32Å; H309-E311 PolarHBondContact O-N 2.91Å; E311-A314 PolarHBondContact O-N 3.13Å; E311-S315 WeakPolarHBondContact O-CB 3.46Å; E311-S315 PolarHBondContact O-N 2.6Å; E311-S315 PolarHBondContact O-OG 3.09Å
312	A	87.6	Confident	86.4	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-45.3	170.3	0	0	0	0	0	112.1	I258 I273 L304 V307 R308 H309 S315 L316	I258-A312 HydrophobicContact CD1-CB 3.94Å; I273-A312 HydrophobicContact CD1-CB 3.62Å; I273-A312 HydrophobicContact CG1-CB 3.74Å; I273-A312 HydrophobicContact CG2-CB 4.28Å; L304-A312 HydrophobicContact CD1-CB 4.1Å; L304-A312 HydrophobicContact CD2-CB 4.2Å; V307-A312 HydrophobicContact CG2-CB 3.94Å; R308-A312 PolarHBondContact O-N 3.28Å; R308-A312 VanDerWaalsContact O-N 3.16Å; H309-A312 PolarHBondContact O-N 3.14Å; A312-S315 PolarHBondContact O-N 3.49Å; A312-L316 WeakPolarHBondContact O-CG 3.27Å; A312-L316 PolarHBondContact O-N 2.91Å
313	V	88.1	Confident	86.7	Confident	33 Å²	33	70.6 Å²	70.6	20%	0.2	36%	0.363	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175.7	170.1	0	0	0	0	111.5	I258 H309 E310 K317	I258-V313 HydrophobicContact CD1-CG2 3.91Å; I258-V313 HydrophobicContact CG1-CG2 4.31Å; H309-V313 WeakPolarHBondContact O-CG2 3.48Å; H309-V313 PolarHBondContact O-N 3.46Å; E310-V313 PolarHBondContact O-N 3.25Å; V313-K317 HydrophobicContact CG1-CD 3.87Å; V313-K317 WeakPolarHBondContact O-CB 3.36Å; V313-K317 VanDerWaalsContact O-CG 3.28Å; V313-K317 WeakPolarHBondContact O-CG 3.39Å; V313-K317 PolarHBondContact O-N 2.68Å
314	A	87.3	Confident	86.7	Confident	54 Å²	54	72.6 Å²	72.6	45%	0.446	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175	0	0	0	0	0	111.4	E310 E311 K317 N318	E310-A314 WeakPolarHBondContact O-CB 3.19Å; E310-A314 PolarHBondContact O-N 3.49Å; E311-A314 PolarHBondContact O-N 3.13Å; A314-K317 PolarHBondContact O-N 3.06Å; A314-N318 WeakPolarHBondContact O-CB 3.27Å; A314-N318 PolarHBondContact O-N 2.79Å
315	S	90.9	Very high	87	Confident	25 Å²	25	72.7 Å²	72.7	18%	0.175	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-44.6	177.2	-60.2	0	0	0	0	112.3	E311 A312 K317 T319	E311-S315 WeakPolarHBondContact O-CB 3.46Å; E311-S315 PolarHBondContact O-N 2.6Å; E311-S315 PolarHBondContact O-OG 3.09Å; A312-S315 PolarHBondContact O-N 3.49Å; S315-K317 PolarHBondContact O-N 2.81Å; S315-T319 VanDerWaalsContact O-CG2 3.24Å; S315-T319 WeakPolarHBondContact O-CG2 3.47Å
316	L	89.8	Confident	87.4	Confident	20 Å²	20	71.6 Å²	71.6	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-35.9	175.9	-74.6	167.6	0	0	0	112.9	L254 F256 I258 L296 V299 A312 T319 L325	L254-L316 HydrophobicContact CD1-CD2 3.86Å; F256-L316 HydrophobicContact CE2-CD1 4.16Å; F256-L316 HydrophobicContact CE2-CD2 4.28Å; F256-L316 HydrophobicContact CZ-CD2 3.89Å; I258-L316 HydrophobicContact CD1-CD1 3.66Å; I258-L316 HydrophobicContact CG1-CD1 4.15Å; I258-L316 HydrophobicContact CG2-CD1 4.05Å; L296-L316 HydrophobicContact CD1-CD1 4.25Å; V299-L316 HydrophobicContact CG1-CD2 4.15Å; V299-L316 HydrophobicContact CG2-CD2 3.53Å; V299-L316 HydrophobicContact CG2-CG 4Å; A312-L316 WeakPolarHBondContact O-CG 3.27Å; A312-L316 PolarHBondContact O-N 2.91Å; L316-T319 PolarHBondContact O-OG1 2.94Å; L316-L325 HydrophobicContact CD2-CD2 4.04Å
317	K	85.4	Confident	88	Confident	158 Å²	158	66.6 Å²	66.6	69%	0.687	33%	0.333	S	S	*	.	H	α-helix	trans	-73	-49.3	176.8	-74.6	172	179.9	171.3	0	111.9	K249 V313 A314 S315 T319	K249-K317 PolarHBondContact NZ-O 2.57Å; V313-K317 HydrophobicContact CG1-CD 3.87Å; V313-K317 WeakPolarHBondContact O-CB 3.36Å; V313-K317 VanDerWaalsContact O-CG 3.28Å; V313-K317 WeakPolarHBondContact O-CG 3.39Å; V313-K317 PolarHBondContact O-N 2.68Å; A314-K317 PolarHBondContact O-N 3.06Å; S315-K317 PolarHBondContact O-N 2.81Å; K317-T319 PolarHBondContact O-N 2.81Å
318	N	85.2	Confident	88.1	Confident	149 Å²	149	65.6 Å²	65.6	80%	0.797	33%	0.326	S	S	*	.	S	Bend	trans	-80.7	52.7	-174.9	-167.6	38.7	0	0	0	113.1	A314	A314-N318 WeakPolarHBondContact O-CB 3.27Å; A314-N318 PolarHBondContact O-N 2.79Å
319	T	87.6	Confident	87.9	Confident	27 Å²	27	59.3 Å²	59.3	17%	0.166	30%	0.303	C	S	.	.	S	Bend	trans	-127.3	156.4	176.7	44.8	0	0	0	0	110.8	K249 V299 S315 L316 K317 V323	K249-T319 WeakPolarHBondContact CE-OG1 3.3Å; K249-T319 PolarHBondContact NZ-O 2.96Å; K249-T319 PolarHBondContact NZ-OG1 3.46Å; V299-T319 HydrophobicContact CG1-CG2 3.67Å; S315-T319 VanDerWaalsContact O-CG2 3.24Å; S315-T319 WeakPolarHBondContact O-CG2 3.47Å; L316-T319 PolarHBondContact O-OG1 2.94Å; K317-T319 PolarHBondContact O-N 2.81Å; T319-V323 HydrophobicContact CG2-CG1 4.12Å; T319-V323 HydrophobicContact CG2-CG2 4.38Å; T319-V323 WeakPolarHBondContact OG1-CG2 3.46Å
320	S	83.4	Confident	86.6	Confident	75 Å²	75	60.6 Å²	60.6	52%	0.524	32%	0.316	S	S	.	.			trans	-62.8	175.5	170.8	41.8	0	0	0	0	113.1	K249 M322 V323	K249-S320 WeakPolarHBondContact CD-O 3.4Å; K249-S320 WeakPolarHBondContact CE-O 3.46Å; S320-M322 PolarHBondContact O-N 3.47Å; S320-M322 PolarHBondContact OG-O 2.96Å; S320-V323 WeakPolarHBondContact O-CG2 3.47Å
321	D	82.8	Confident	84.9	Confident	121 Å²	121	55 Å²	55	65%	0.647	30%	0.297	S	S	*	.	S	Bend	trans	-60.6	-31.4	176.6	-61.2	-33.3	0	0	0	112.5	L248 K249	L248-D321 CarbonylContact C-O 3.5Å; L248-D321 WeakPolarHBondContact CA-O 3.41Å; L248-D321 HydrophobicContact CD1-CB 4.28Å; K249-D321 PolarHBondContact N-O 2.87Å
322	M	88.4	Confident	82.8	Confident	73 Å²	73	55.9 Å²	55.9	36%	0.36	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.1	166.2	-172.1	64.5	69.1	0	0	110.1	N246 L248 S320 Y324	N246-M322 HydrophobicContact CB-SD 4.46Å; L248-M322 HydrophobicContact CB-CE 4.38Å; L248-M322 HydrophobicContact CD1-CE 4.03Å; S320-M322 PolarHBondContact O-N 3.47Å; S320-M322 PolarHBondContact OG-O 2.96Å; M322-Y324 HydrophobicContact CG-CE2 3.84Å
323	V	91.3	Very high	80.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.5	178.3	-170.9	0	0	0	0	110.2	N246 L247 K249 L254 V299 T319 S320 L325	N246-V323 CarbonylContact C-O 3.24Å; N246-V323 WeakPolarHBondContact CA-O 3.45Å; L247-V323 PolarHBondContact N-O 3.48Å; L247-V323 PolarHBondContact O-N 3.16Å; K249-V323 HydrophobicContact CD-CG2 4.43Å; K249-V323 HydrophobicContact CG-CG2 4.2Å; L254-V323 HydrophobicContact CD1-CB 4.47Å; L254-V323 HydrophobicContact CD1-CG1 4.29Å; L254-V323 HydrophobicContact CD1-CG2 4.34Å; L254-V323 HydrophobicContact CD2-CB 3.92Å; L254-V323 HydrophobicContact CD2-CG2 3.77Å; L254-V323 HydrophobicContact CG-CG2 4.5Å; V299-V323 HydrophobicContact CG1-CG1 3.82Å; T319-V323 HydrophobicContact CG2-CG1 4.12Å; T319-V323 HydrophobicContact CG2-CG2 4.38Å; T319-V323 WeakPolarHBondContact OG1-CG2 3.46Å; S320-V323 WeakPolarHBondContact O-CG2 3.47Å; V323-L325 HydrophobicContact CG1-CD2 3.8Å; V323-L325 HydrophobicContact CG1-CG 4.27Å
324	Y	90.2	Very high	78	Confident	126 Å²	126	70.3 Å²	70.3	49%	0.494	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.4	174.6	-59.3	-104	0	0	0	107.7	N246 N300 M322	N246-Y324 HydrophobicContact CB-CD1 4.35Å; N246-Y324 WeakPolarHBondContact ND2-CE1 3.37Å; N246-Y324 WeakPolarHBondContact OD1-CD1 3.48Å; N300-Y324 PolarHBondContact N-O 3.26Å; N300-Y324 PolarHBondContact OD1-N 3.4Å; M322-Y324 HydrophobicContact CG-CE2 3.84Å
325	L	94.2	Very high	75.4	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.016	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.8	-178	-58.8	172.7	0	0	0	109.1	E244 V245 L247 F256 L290 V299 L316 V323 V327	E244-L325 WeakPolarHBondContact CA-O 3.45Å; V245-L325 PolarHBondContact N-O 3.2Å; V245-L325 WeakPolarHBondContact O-CB 3.17Å; V245-L325 PolarHBondContact O-N 3.38Å; L247-L325 HydrophobicContact CD1-CD1 3.86Å; L247-L325 HydrophobicContact CG-CD1 4.33Å; F256-L325 HydrophobicContact CE1-CD1 3.75Å; F256-L325 HydrophobicContact CZ-CD1 3.9Å; L290-L325 HydrophobicContact CD1-CD1 3.9Å; V299-L325 HydrophobicContact CB-CD2 4.36Å; V299-L325 HydrophobicContact CG1-CD2 4.21Å; V299-L325 HydrophobicContact CG2-CD2 3.8Å; L316-L325 HydrophobicContact CD2-CD2 4.04Å; V323-L325 HydrophobicContact CG1-CD2 3.8Å; V323-L325 HydrophobicContact CG1-CG 4.27Å; L325-V327 HydrophobicContact CB-CG2 3.82Å
326	K	92.2	Very high	72.5	Confident	81 Å²	81	81.2 Å²	81.2	35%	0.352	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.7	169.7	-158.4	-178.1	-167.4	87.7	0	107.8	I242 E244 L297 A298	I242-K326 HydrophobicContact CG2-CD 4.39Å; I242-K326 HydrophobicContact CG2-CG 3.84Å; E244-K326 HydrophobicContact CG-CG 4.11Å; E244-K326 IonicContact OE1-NZ 3.8Å; E244-K326 PolarHBondContact OE1-NZ 2.83Å; L297-K326 WeakPolarHBondContact CA-O 3.14Å; L297-K326 HydrophobicContact CB-CB 4.44Å; L297-K326 WeakPolarHBondContact CB-O 3.44Å; L297-K326 PolarHBondContact N-O 2.95Å; A298-K326 HydrophobicContact CB-CB 3.86Å; A298-K326 PolarHBondContact N-O 2.86Å; A298-K326 PolarHBondContact O-N 2.97Å
327	V	91.4	Very high	70.1	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.3	-165.2	-171.8	0	0	0	0	109.7	I242 M243 L290 D294 R295 L296 L325	I242-V327 CarbonylContact C-O 3.57Å; I242-V327 WeakPolarHBondContact CA-O 3.35Å; M243-V327 HydrophobicContact CG-CB 4.19Å; M243-V327 WeakPolarHBondContact CG-O 3.45Å; M243-V327 PolarHBondContact N-O 2.92Å; M243-V327 PolarHBondContact O-N 2.82Å; L290-V327 HydrophobicContact CD2-CB 4.42Å; L290-V327 HydrophobicContact CD2-CG1 4.19Å; L290-V327 HydrophobicContact CD2-CG2 3.89Å; D294-V327 HydrophobicContact CB-CG1 3.73Å; R295-V327 CarbonylContact O-C 3.53Å; R295-V327 WeakPolarHBondContact O-CA 3.49Å; L296-V327 HydrophobicContact CD2-CG1 4.32Å; L296-V327 HydrophobicContact CD2-CG2 3.7Å; L325-V327 HydrophobicContact CB-CG2 3.82Å
328	A	85.7	Confident	67.4	Low	0 Å²	0	87.7 Å²	87.7	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130	169.2	0	0	0	0	0	110.1	E240 R295 L297	E240-A328 HydrophobicContact CB-CB 3.83Å; E240-A328 HydrophobicContact CG-CB 4.21Å; E240-A328 WeakPolarHBondContact OE2-CB 3.23Å; R295-A328 HydrophobicContact CB-CB 4.05Å; R295-A328 PolarHBondContact N-O 3.31Å; R295-A328 PolarHBondContact O-N 2.89Å; L297-A328 HydrophobicContact CD1-CB 3.89Å; L297-A328 HydrophobicContact CD2-CB 4.22Å; L297-A328 HydrophobicContact CG-CB 4.08Å
329	K	82.3	Confident	64.8	Low	14 Å²	14	89 Å²	89	6%	0.061	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.5	168	-67.8	-62	-166.1	167	0	110.1	E240 T241 M243 R289 D294 G331	E240-K329 CarbonylContact C-O 3.17Å; E240-K329 WeakPolarHBondContact CA-O 3.18Å; E240-K329 WeakPolarHBondContact CB-O 3.37Å; T241-K329 PolarHBondContact N-O 3.44Å; T241-K329 VanDerWaalsContact N-O 3.09Å; T241-K329 PolarHBondContact O-N 3.09Å; M243-K329 HydrophobicContact CE-CD 4.25Å; M243-K329 HydrophobicContact CE-CG 3.65Å; M243-K329 HydrophobicContact CG-CG 4.41Å; M243-K329 HydrophobicContact SD-CD 4.38Å; M243-K329 VanDerWaalsContact SD-CE 3.54Å; M243-K329 HydrophobicContact SD-CG 4.15Å; R289-K329 VanDerWaalsContact O-CE 3.26Å; R289-K329 WeakPolarHBondContact O-CE 3.35Å; R289-K329 PolarHBondContact O-NZ 2.95Å; D294-K329 WeakPolarHBondContact OD1-CD 3.37Å; D294-K329 WeakPolarHBondContact OD1-CE 3.18Å; D294-K329 IonicContact OD1-NZ 2.77Å; D294-K329 PolarHBondContact OD1-NZ 3.01Å; D294-K329 WeakPolarHBondContact OD2-CE 3.29Å; D294-K329 IonicContact OD2-NZ 3.57Å; D294-K329 PolarHBondContact OD2-NZ 2.92Å; K329-G331 PolarHBondContact O-N 3.49Å
330	P	61.4	Low	62	Low	74 Å²	74	92.2 Å²	92.2	48%	0.481	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-59.3	136.1	162.6	26.9	-33	0	0	0	109.4	S332	P330-S332 PolarHBondContact O-N 2.82Å
331	G	51.3	Low	59.5	Low	30 Å²	30	93.5 Å²	93.5	31%	0.309	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-61.1	133.1	-173	0	0	0	0	0	113.5	K329 L333	K329-G331 PolarHBondContact O-N 3.49Å; G331-L333 PolarHBondContact O-N 3.33Å
332	S	42	Very low	57.1	Low	110 Å²	110	94.1 Å²	94.1	77%	0.769	51%	0.511	S	S	*	.			trans	-71.3	92.2	179.5	-179.3	0	0	0	0	111.9	P330	P330-S332 PolarHBondContact O-N 2.82Å
333	L	36.1	Very low	54.2	Low	161 Å²	161	98 Å²	98	84%	0.843	53%	0.534	S	S	*	.			trans	-116.4	121	160.7	-68.9	176.8	0	0	0	108.5	G331 L335	G331-L333 PolarHBondContact O-N 3.33Å; L333-L335 PolarHBondContact O-N 3.08Å
334	H	40.2	Very low	51.2	Low	176 Å²	176	109 Å²	109	82%	0.815	58%	0.577	S	S	*	*			trans	-70.8	117.4	173.9	-83.9	40.6	0	0	0	110.3
335	L	31.8	Very low	48.1	Very low	167 Å²	167	106.8 Å²	106.8	87%	0.874	58%	0.584	S	S	*	*			trans	-137.3	108.4	157.7	-94.3	169.5	0	0	0	108	L333	L333-L335 PolarHBondContact O-N 3.08Å
336	N	30.9	Very low	44.8	Very low	140 Å²	140	111.4 Å²	111.4	75%	0.749	62%	0.617	S	S	*	*			trans	-84.9	160.7	170.2	-96	18.6	0	0	0	110.6
337	D	38.8	Very low	41.6	Very low	151 Å²	151	114.1 Å²	114.1	81%	0.807	64%	0.641	S	S	*	*			trans	56	76.3	161.4	-64	-43.1	0	0	0	117.8
338	M	28.8	Very low	38.4	Very low	164 Å²	164	123.4 Å²	123.4	81%	0.808	68%	0.682	S	S	*	*	S	Bend	trans	-155.2	148.1	134.7	-112.4	168.3	66.2	0	0	110.6
339	Y	29.8	Very low	35.4	Very low	177 Å²	177	129.8 Å²	129.8	69%	0.694	72%	0.721	S	S	*	*			trans	63.4	60.7	-174	-62.6	-98.5	0	0	0	116.6	D174	D174-Y339 PolarHBondContact OD2-OH 3.05Å
340	A	29.1	Very low	32.8	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	74%	0.743	S	S	*	*			trans	-88.2	131.4	143.6	0	0	0	0	0	109
341	P	30.8	Very low	31.2	Very low	102 Å²	102	136.8 Å²	136.8	66%	0.662	76%	0.762	S	S	*	*			trans	-72.5	151.9	171	31.4	-34.1	0	0	0	110.9	D343	P341-D343 PolarHBondContact O-N 3.11Å; P341-D343 VanDerWaalsContact O-N 3.14Å
342	P	32.5	Very low	30	Very low	133 Å²	133	139.3 Å²	139.3	86%	0.864	78%	0.781	S	S	*	*			trans	-80.1	94.8	-178.2	31.4	-34.5	0	0	0	112.3
343	D	28.6	Very low	29.2	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	78%	0.78	S	S	*	*			trans	-69.4	138.9	170	-81.2	-33.7	0	0	0	112.2	P341	P341-D343 PolarHBondContact O-N 3.11Å; P341-D343 VanDerWaalsContact O-N 3.14Å
344	Y	26.5	Very low	28.8	Very low	229 Å²	229	138.3 Å²	138.3	90%	0.898	77%	0.768	S	S	*	*			trans	-102.7	88.5	-175.7	-164.6	-90.2	0	0	0	112.2
345	A	25.6	Very low	28.3	Very low	80 Å²	80	137.2 Å²	137.2	66%	0.661	76%	0.762	S	S	*	*			trans	70.1	153.7	171.1	0	0	0	0	0	115.6
346	S	24.9	Very low	28.1	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	75%	0.754	S	S	*	*			cis	-152.7	160.8	31.2	-60.6	0	0	0	0	116.2
347	T	25.6	Very low	27.7	Very low	139 Å²	139	133.8 Å²	133.8	85%	0.853	75%	0.751	S	S	*	*			trans	64.4	126	149.8	43.4	0	0	0	0	120.8
348	F	24.2	Very low	27.2	Very low	195 Å²	195	135.6 Å²	135.6	86%	0.855	75%	0.754	S	S	*	*			trans	-124.6	134.2	162.5	-165.6	-82.5	0	0	0	109.7
349	T	22.8	Very low	27	Very low	134 Å²	134	134.5 Å²	134.5	82%	0.822	75%	0.752	S	S	*	*			trans	-145.2	138.5	166.2	5.7	0	0	0	0	107
350	A	26.2	Very low	26.8	Very low	63 Å²	63	130.1 Å²	130.1	52%	0.521	75%	0.747	S	S	.	*			cis	-152.4	168.2	4.1	0	0	0	0	0	110.3
351	L	28.6	Very low	26.6	Very low	171 Å²	171	130.3 Å²	130.3	90%	0.895	74%	0.743	S	S	*	*				166.3	146	113.5	-86.4	174.2	0	0	0	113.3
352	A	26.5	Very low	26.6	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	76%	0.755	S	S	*	*			trans	61.4	103.9	153.8	0	0	0	0	0	121.4
353	D	25.4	Very low	26.2	Very low	141 Å²	141	130.8 Å²	130.8	75%	0.754	75%	0.748	S	S	*	*				77.6	109.9	121.2	-74.1	28.4	0	0	0	124.4
354	N	27.3	Very low	26.1	Very low	109 Å²	109	133.6 Å²	133.6	58%	0.583	75%	0.748	S	S	*	*				73.8	97.4	120.6	-71.2	-39.7	0	0	0	121.6
355	H	29.8	Very low	26.2	Very low	152 Å²	152	129.9 Å²	129.9	70%	0.704	74%	0.743	S	S	*	*				164.4	130.1	84.8	-88.1	-42	0	0	0	115.5
356	I	26.8	Very low	26.2	Very low	137 Å²	137	129.8 Å²	129.8	70%	0.703	75%	0.75	S	S	*	*			trans	53.5	109.8	132.3	-56	174.2	0	0	0	120.3
357	S	23.1	Very low	26.5	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	76%	0.757	S	S	*	*			trans	36.7	132.8	134.3	-48.5	0	0	0	0	122.5
358	H	29	Very low	26.6	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.875	76%	0.76	S	S	*	*				-168.3	-177.9	105.5	-109.1	-80.9	0	0	0	112.8
359	N	23.7	Very low	26.8	Very low	141 Å²	141	130 Å²	130	75%	0.754	76%	0.76	S	S	*	*			trans	-135.2	161.5	-163.8	-177.6	24.1	0	0	0	112.3
360	S	26.4	Very low	27	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	77%	0.765	S	S	*	*			trans	80.7	110.8	153.4	-73.3	0	0	0	0	122.9
361	S	24.8	Very low	27.1	Very low	99 Å²	99	136 Å²	136	69%	0.692	78%	0.78	S	S	*	*				80.3	143.9	114.5	78.1	0	0	0	0	123.3
362	L	30.3	Very low	27.1	Very low	176 Å²	176	133.5 Å²	133.5	92%	0.921	77%	0.771	S	S	*	*			trans	64	153.7	169.7	-82.5	65.4	0	0	0	115.8
363	G	23.8	Very low	27	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	78%	0.776	S	S	*	*			cis	159.7	172.6	-7.9	0	0	0	0	0	113.1
364	Y	26.6	Very low	27.4	Very low	216 Å²	216	139.1 Å²	139.1	85%	0.847	78%	0.78	S	S	*	*			trans	88.8	106	162.4	-133.5	-98.5	0	0	0	121.3
365	L	28.8	Very low	28.3	Very low	150 Å²	150	139.8 Å²	139.8	79%	0.785	79%	0.79	S	S	*	*			trans	21.7	142.5	136.9	-68.1	160	0	0	0	123.2
366	G	25.6	Very low	28.1	Very low	79 Å²	79	136.8 Å²	136.8	81%	0.814	79%	0.792	S	S	*	*			trans	165.7	123.5	149.9	0	0	0	0	0	114.1
367	A	30.4	Very low	29.1	Very low	102 Å²	102	136.1 Å²	136.1	84%	0.843	80%	0.796	S	S	*	*			trans	-138.3	154.2	-179.7	0	0	0	0	0	112.6
368	V	29	Very low	29.9	Very low	152 Å²	152	136.4 Å²	136.4	92%	0.921	80%	0.796	S	S	*	*			trans	-148.7	136.1	164.3	-82.6	0	0	0	0	111.5
369	E	28.7	Very low	29.9	Very low	183 Å²	183	135.8 Å²	135.8	86%	0.855	79%	0.794	S	S	*	*			trans	-108.4	164.4	167.6	-62.5	-176.8	106.8	0	0	110.6
370	S	26.8	Very low	30.2	Very low	131 Å²	131	135.1 Å²	135.1	92%	0.916	79%	0.794	S	S	*	*			trans	-165.8	160.7	144.2	-87.2	0	0	0	0	112.6
371	K	27.4	Very low	30.8	Very low	192 Å²	192	136.7 Å²	136.7	84%	0.835	80%	0.802	S	S	*	*			trans	-160.8	-177.8	-156	-175.4	179.5	175.9	-179.8	0	111.6
372	V	29.5	Very low	31.1	Very low	119 Å²	119	137.1 Å²	137.1	72%	0.721	80%	0.803	S	S	*	*			trans	99.3	127.2	157.1	-172.7	0	0	0	0	114.5
373	T	23.4	Very low	30.9	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	80%	0.797	S	S	*	*				-164.4	153.7	85.5	-58.1	0	0	0	0	114
374	Y	33.8	Very low	31.1	Very low	215 Å²	215	143 Å²	143	84%	0.843	81%	0.806	S	S	*	*			trans	-132.2	155.7	-179.6	-89.7	-83.6	0	0	0	113.2
375	P	46.1	Very low	31.3	Very low	122 Å²	122	143 Å²	143	79%	0.792	81%	0.806	S	S	*	*				-136.8	-179.6	123.4	16.1	6.9	0	0	0	111.9
376	A	26.9	Very low	31.3	Very low	90 Å²	90	141.2 Å²	141.2	74%	0.744	81%	0.806	S	S	*	*			cis	-165.1	161.7	-27	0	0	0	0	0	110
377	P	47.5	Very low	31.7	Very low	122 Å²	122	142.7 Å²	142.7	79%	0.792	80%	0.802	S	S	*	*			trans	-92.6	-171.6	176.3	41.4	-38.8	0	0	0	112.2
378	P	40.5	Very low	31.6	Very low	105 Å²	105	145.2 Å²	145.2	68%	0.682	80%	0.8	S	S	*	*			cis	-139	171.4	4.7	44	-27	0	0	0	117.8
379	Q	28.5	Very low	31.7	Very low	176 Å²	176	144 Å²	144	82%	0.822	80%	0.795	S	S	*	*				-177.5	155.9	118.9	-86.1	-52.7	-10	0	0	109.8
380	V	29.3	Very low	31.6	Very low	127 Å²	127	146.9 Å²	146.9	77%	0.77	80%	0.798	S	S	*	*			trans	-150	143.1	-164.9	173.8	0	0	0	0	108
381	P	38.3	Very low	32.2	Very low	117 Å²	117	148.4 Å²	148.4	76%	0.76	79%	0.79	S	S	*	*			cis	-133.1	-164.5	41.9	21.3	7	0	0	0	114.2
382	P	31.9	Very low	32.8	Very low	108 Å²	108	145.5 Å²	145.5	70%	0.701	78%	0.781	S	S	*	*			cis	-124.9	167.3	-1.7	41.7	-27.2	0	0	0	117.5
383	T	25.6	Very low	32.9	Very low	130 Å²	130	146.3 Å²	146.3	80%	0.798	78%	0.781	S	S	*	*			trans	42.2	110.3	155.1	50.8	0	0	0	0	120.5
384	R	29.6	Very low	33.5	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	79%	0.785	S	S	*	*			trans	-71.1	145.9	163.5	-57.5	178	-173	164.2	1.6	111.5
385	Y	29.7	Very low	33.8	Very low	216 Å²	216	139.5 Å²	139.5	85%	0.847	77%	0.765	S	S	*	*			trans	-108.6	106.4	159.6	-119.6	-95.2	0	0	0	110.4
386	S	29.7	Very low	33.6	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	76%	0.762	S	S	*	*			trans	-160	97.3	166.4	-50.1	0	0	0	0	110.2
387	P	32.3	Very low	34.5	Very low	111 Å²	111	144.3 Å²	144.3	72%	0.721	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-98.5	130.5	168	-3.9	24.5	0	0	0	111.9
388	I	28.8	Very low	34.7	Very low	155 Å²	155	140.5 Å²	140.5	80%	0.795	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-52.2	146.9	162.9	-67	155.2	0	0	0	109.9	R390	I388-R390 PolarHBondContact O-N 2.69Å
389	P	30.8	Very low	35.6	Very low	126 Å²	126	139.1 Å²	139.1	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-51.7	126.3	178.7	-29	35.9	0	0	0	113.4
390	R	27.5	Very low	37.8	Very low	243 Å²	243	136.2 Å²	136.2	92%	0.917	71%	0.71	S	S	*	*			trans	-125.1	146.8	161.6	-91.9	-172.9	170.6	153.8	-0.7	110	I388	I388-R390 PolarHBondContact O-N 2.69Å
391	H	40.1	Very low	40.3	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.755	70%	0.703	S	S	*	*			trans	-58.2	156.8	170.6	-146	-94	0	0	0	111.3
392	M	39.4	Very low	42.7	Very low	132 Å²	132	134.2 Å²	134.2	65%	0.65	69%	0.687	S	S	*	*			trans	71	116	175.5	-54.5	-60.8	-175.7	0	0	116.9
393	L	31.3	Very low	45.5	Very low	136 Å²	136	130.8 Å²	130.8	71%	0.712	66%	0.66	S	S	*	*				-170.1	91.3	111.7	-100.8	171.1	0	0	0	111.4	E396	L393-E396 HydrophobicContact CD2-CG 3.78Å; L393-E396 WeakPolarHBondContact CD2-OE2 3.41Å
394	A	35.4	Very low	48.7	Very low	106 Å²	106	131.3 Å²	131.3	88%	0.876	65%	0.652	S	S	*	*	S	Bend	trans	-149.3	31.7	162.2	0	0	0	0	0	110.2
395	E	40.8	Very low	51.7	Low	94 Å²	94	120.1 Å²	120.1	44%	0.439	61%	0.609	S	S	.	*			trans	-120.9	24.2	-179.6	-99.1	-111.9	122.3	0	0	111	R400	E395-R400 IonicContact OE2-CZ 2.75Å; E395-R400 IonicContact OE2-NE 3.38Å; E395-R400 IonicContact OE2-NH2 3.97Å; E395-R400 PolarHBondContact OE2-NH2 3.39Å
396	E	42.2	Very low	54.7	Low	156 Å²	156	113.6 Å²	113.6	73%	0.729	59%	0.588	S	S	*	*			trans	-113.5	84.4	174.8	-68.6	-168	140.4	0	0	110.5	L393	L393-E396 HydrophobicContact CD2-CG 3.78Å; L393-E396 WeakPolarHBondContact CD2-OE2 3.41Å
397	D	44.9	Very low	57.6	Low	158 Å²	158	108.3 Å²	108.3	85%	0.845	55%	0.551	S	S	*	*	S	Bend	trans	-177.6	10	135.9	-102.4	-11.7	0	0	0	113.4
398	F	52	Low	60.3	Low	41 Å²	41	108.7 Å²	108.7	18%	0.18	54%	0.543	C	S	.	.	S	Bend	trans	-106.6	89.3	162.6	-105.5	-120.5	0	0	0	110.3	R400 R403 G442 E443 R445	F398-R400 PolarHBondContact O-N 3.22Å; F398-R403 VanDerWaalsContact CD1-CZ 3.5Å; F398-R403 VanDerWaalsContact CE1-CZ 3.46Å; F398-R403 VanDerWaalsContact CE1-NH2 3.27Å; F398-G442 WeakPolarHBondContact CZ-O 3.22Å; F398-E443 WeakPolarHBondContact CE1-O 3.37Å; F398-E443 WeakPolarHBondContact CZ-O 3.48Å; F398-R445 HydrophobicContact CD1-CG 4.3Å; F398-R445 VanDerWaalsContact CD2-CZ 3.46Å; F398-R445 VanDerWaalsContact CE1-CD 3.41Å; F398-R445 HydrophobicContact CE1-CG 3.65Å; F398-R445 VanDerWaalsContact CE1-NE 3.31Å; F398-R445 HydrophobicContact CZ-CG 4.11Å; F398-R445 VanDerWaalsContact CZ-NE 3.31Å
399	T	60	Low	63.1	Low	76 Å²	76	103.8 Å²	103.8	47%	0.466	52%	0.516	S	S	.	.			trans	-54	135.1	176.7	58.2	0	0	0	0	110.6	E401 R403	T399-E401 PolarHBondContact O-N 3.34Å; T399-R403 PolarHBondContact O-NH1 3.08Å
400	R	74.9	Confident	65.5	Low	116 Å²	116	99.4 Å²	99.4	44%	0.438	49%	0.494	S	S	.	.	S	Bend	trans	-71.7	8.8	174.6	-66.9	174.5	174.9	-115.2	-4.5	112.5	E395 F398 Q482 E486	E395-R400 IonicContact OE2-CZ 2.75Å; E395-R400 IonicContact OE2-NE 3.38Å; E395-R400 IonicContact OE2-NH2 3.97Å; E395-R400 PolarHBondContact OE2-NH2 3.39Å; F398-R400 PolarHBondContact O-N 3.22Å; R400-Q482 WeakPolarHBondContact O-CG 3.39Å; R400-Q482 PolarHBondContact O-NE2 3.35Å; R400-E486 IonicContact CZ-OE1 3.56Å; R400-E486 IonicContact NH1-OE1 2.69Å; R400-E486 PolarHBondContact NH1-OE1 3.23Å; R400-E486 IonicContact NH1-OE2 3.79Å; R400-E486 IonicContact NH2-OE1 3.55Å; R400-E486 PolarHBondContact NH2-OE1 3.38Å; R400-E486 VanDerWaalsContact NH2-OE1 3.07Å
401	E	80.7	Confident	67.8	Low	135 Å²	135	94.1 Å²	94.1	63%	0.631	49%	0.494	S	S	*	.	S	Bend	trans	-84.8	161.1	175.1	-58.4	-161.7	141.2	0	0	111.7	T399 R403	T399-E401 PolarHBondContact O-N 3.34Å; E401-R403 PolarHBondContact O-N 3.12Å
402	P	88.2	Confident	69.5	Low	66 Å²	66	91.3 Å²	91.3	43%	0.429	49%	0.488	S	S	.	.			trans	-65.7	111.9	172.1	-23.4	36.5	0	0	0	113.1	L451 V480 A481	P402-L451 HydrophobicContact CB-CD1 3.91Å; P402-L451 HydrophobicContact CG-CD1 3.82Å; P402-V480 HydrophobicContact CB-CG1 3.78Å; P402-A481 CarbonylContact C-O 3.13Å; P402-A481 WeakPolarHBondContact CA-O 3.49Å
403	R	91.9	Very high	71.7	Confident	37 Å²	37	86.3 Å²	86.3	14%	0.14	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	142	175.8	-58.1	-177.2	-55.4	-73	-7.2	110.5	F398 T399 E401 I405 E443 D448 V480 A481	F398-R403 VanDerWaalsContact CD1-CZ 3.5Å; F398-R403 VanDerWaalsContact CE1-CZ 3.46Å; F398-R403 VanDerWaalsContact CE1-NH2 3.27Å; T399-R403 PolarHBondContact O-NH1 3.08Å; E401-R403 PolarHBondContact O-N 3.12Å; R403-I405 HydrophobicContact CB-CG1 4.49Å; R403-E443 PolarHBondContact NH2-O 2.93Å; R403-D448 IonicContact CZ-OD1 2.66Å; R403-D448 IonicContact NH1-OD1 3.53Å; R403-D448 IonicContact NH2-OD1 3.72Å; R403-D448 PolarHBondContact NH2-OD1 2.86Å; R403-D448 IonicContact NH2-OD2 3.33Å; R403-D448 PolarHBondContact NH2-OD2 3.13Å; R403-V480 VanDerWaalsContact O-CA 3.32Å; R403-V480 WeakPolarHBondContact O-CA 3.4Å; R403-A481 PolarHBondContact N-O 3Å; R403-A481 PolarHBondContact O-N 3.05Å
404	K	91.8	Very high	74.4	Confident	141 Å²	141	80.6 Å²	80.6	61%	0.613	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	92.6	178	-176.1	-160.9	173.1	-166.7	0	110	T478 I479 V480	K404-T478 HydrophobicContact CD-CG2 4.21Å; K404-T478 VanDerWaalsContact CE-CG2 3.43Å; K404-T478 HydrophobicContact CG-CG2 3.71Å; K404-I479 CarbonylContact C-O 3.57Å; K404-V480 HydrophobicContact CB-CG2 4.5Å; K404-V480 HydrophobicContact CG-CG2 4.37Å
405	I	93.2	Very high	76.8	Confident	1 Å²	1	76 Å²	76	1%	0.005	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.9	-176.3	-59.2	173.8	0	0	0	109.7	R403 L407 E443 L444 T478 I479 A481	R403-I405 HydrophobicContact CB-CG1 4.49Å; I405-L407 HydrophobicContact CG2-CD2 3.75Å; I405-L407 HydrophobicContact CG2-CG 3.87Å; I405-E443 VanDerWaalsContact CA-OE2 3.31Å; I405-E443 WeakPolarHBondContact CA-OE2 3.28Å; I405-E443 HydrophobicContact CB-CB 4.43Å; I405-E443 HydrophobicContact CD1-CB 4.09Å; I405-E443 WeakPolarHBondContact CD1-O 3.43Å; I405-E443 HydrophobicContact CG1-CB 3.8Å; I405-E443 HydrophobicContact CG2-CB 4.04Å; I405-E443 WeakPolarHBondContact CG2-OE2 3.23Å; I405-L444 HydrophobicContact CD1-CB 4.03Å; I405-L444 HydrophobicContact CD1-CD1 3.54Å; I405-L444 HydrophobicContact CD1-CG 4.42Å; I405-T478 CarbonylContact O-C 3.51Å; I405-T478 VanDerWaalsContact O-CA 3.32Å; I405-T478 WeakPolarHBondContact O-CA 3.42Å; I405-I479 HydrophobicContact CB-CB 4.4Å; I405-I479 PolarHBondContact N-O 3.08Å; I405-I479 PolarHBondContact O-N 3.27Å; I405-A481 HydrophobicContact CD1-CB 4.02Å
406	I	91.7	Very high	79.2	Confident	79 Å²	79	72.7 Å²	72.7	41%	0.405	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	103.4	174.9	-57.3	-179.1	0	0	0	110.5	S476	I406-S476 WeakPolarHBondContact CG2-OG 3.4Å
407	L	91.9	Very high	81.5	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.016	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.6	178.5	-58	-174	0	0	0	111.6	I405 L414 F416 A438 S441 L444 V477 I479	I405-L407 HydrophobicContact CG2-CD2 3.75Å; I405-L407 HydrophobicContact CG2-CG 3.87Å; L407-L414 HydrophobicContact CB-CD2 3.81Å; L407-L414 HydrophobicContact CD1-CD2 4.43Å; L407-F416 HydrophobicContact CD1-CD1 4.16Å; L407-F416 HydrophobicContact CD1-CE1 3.84Å; L407-A438 HydrophobicContact CD1-CB 3.92Å; L407-S441 WeakPolarHBondContact CD2-OG 3.49Å; L407-L444 HydrophobicContact CD1-CD2 4.44Å; L407-V477 PolarHBondContact N-O 2.76Å; L407-V477 PolarHBondContact O-N 2.9Å; L407-I479 HydrophobicContact CD1-CD1 3.89Å; L407-I479 HydrophobicContact CG-CD1 4.41Å
408	H	89.3	Confident	83.7	Confident	119 Å²	119	63.1 Å²	63.1	55%	0.551	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.9	170.5	-74.6	-111.3	0	0	0	110.1	G410 P437 Q475 S476	H408-G410 PolarHBondContact O-N 3.47Å; H408-P437 WeakPolarHBondContact O-CB 3.49Å; H408-P437 WeakPolarHBondContact O-CG 3.21Å; H408-Q475 CarbonylContact C-O 3.58Å; H408-Q475 VanDerWaalsContact CA-O 3.32Å; H408-Q475 WeakPolarHBondContact CA-O 3.44Å; H408-S476 PolarHBondContact NE2-OG 3.03Å
409	K	87.5	Confident	85.3	Confident	51 Å²	51	63.1 Å²	63.1	22%	0.222	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-74.9	119.9	-178.8	-70.7	-172.7	178.5	-178.4	0	110.7	L414 L470 K471 A473 G474 Q475 V477	K409-L414 HydrophobicContact CG-CD2 3.62Å; K409-L414 HydrophobicContact CG-CG 4.07Å; K409-L470 PolarHBondContact NZ-O 2.72Å; K409-K471 PolarHBondContact NZ-O 3Å; K409-K471 VanDerWaalsContact NZ-O 3.09Å; K409-A473 PolarHBondContact NZ-O 3.43Å; K409-G474 VanDerWaalsContact CD-O 3.29Å; K409-G474 WeakPolarHBondContact CD-O 3.48Å; K409-G474 VanDerWaalsContact CE-O 3.29Å; K409-G474 WeakPolarHBondContact CE-O 3.49Å; K409-Q475 PolarHBondContact N-O 2.92Å; K409-V477 HydrophobicContact CD-CG2 4.42Å; K409-V477 HydrophobicContact CG-CG2 4.16Å
410	G	80.1	Confident	86.6	Confident	34 Å²	34	60 Å²	60	35%	0.351	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-81.6	-179.8	168.5	0	0	0	0	0	111.9	H408 T412 G413	H408-G410 PolarHBondContact O-N 3.47Å; G410-T412 PolarHBondContact O-N 2.88Å; G410-T412 VanDerWaalsContact O-N 3.14Å; G410-G413 PolarHBondContact N-O 3.34Å; G410-G413 PolarHBondContact O-N 2.88Å
411	S	76.1	Confident	87.1	Confident	133 Å²	133	55 Å²	55	93%	0.93	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.7	176.7	51.1	0	0	0	0	113.9
412	T	75.5	Confident	87	Confident	103 Å²	103	55.3 Å²	55.3	63%	0.632	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	8.3	177	53.9	0	0	0	0	113.7	G410	G410-T412 PolarHBondContact O-N 2.88Å; G410-T412 VanDerWaalsContact O-N 3.14Å
413	G	87.1	Confident	86.4	Confident	27 Å²	27	59.3 Å²	59.3	28%	0.278	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	94.1	-138.7	-175.6	0	0	0	0	0	112.8	G410	G410-G413 PolarHBondContact N-O 3.34Å; G410-G413 PolarHBondContact O-N 2.88Å
414	L	87.1	Confident	85.5	Confident	17 Å²	17	60.6 Å²	60.6	9%	0.089	36%	0.356	C	S	.	.	S	Bend	trans	-93.7	-12.5	-175.1	-66.1	170.9	0	0	0	114.3	L407 K409 F416 A438 L470 V477	L407-L414 HydrophobicContact CB-CD2 3.81Å; L407-L414 HydrophobicContact CD1-CD2 4.43Å; K409-L414 HydrophobicContact CG-CD2 3.62Å; K409-L414 HydrophobicContact CG-CG 4.07Å; L414-F416 HydrophobicContact CB-CD1 3.8Å; L414-F416 HydrophobicContact CB-CE1 3.61Å; L414-F416 HydrophobicContact CD1-CE1 3.87Å; L414-F416 HydrophobicContact CD1-CZ 4.35Å; L414-F416 HydrophobicContact CG-CE1 4.35Å; L414-A438 WeakPolarHBondContact O-CB 3.17Å; L414-A438 PolarHBondContact O-N 3.48Å; L414-L470 HydrophobicContact CD1-CD2 3.92Å; L414-V477 HydrophobicContact CD1-CB 4.38Å; L414-V477 HydrophobicContact CD1-CG1 4.17Å; L414-V477 HydrophobicContact CD1-CG2 4.19Å; L414-V477 HydrophobicContact CD2-CB 4.15Å; L414-V477 HydrophobicContact CD2-CG2 3.85Å
415	G	85.1	Confident	85.2	Confident	8 Å²	8	56.4 Å²	56.4	8%	0.082	34%	0.338	C	S	.	.	S	Bend	trans	74.7	29.9	177.4	0	0	0	0	0	115.5	L433	G415-L433 WeakPolarHBondContact O-CB 3.39Å; G415-L433 PolarHBondContact O-N 2.98Å
416	F	91.4	Very high	84.9	Confident	25 Å²	25	56.5 Å²	56.5	11%	0.11	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.8	170.6	72.2	-87.9	0	0	0	112.2	L407 L414 I418 V429 F431 I432 A438 L444 I450 L470 I479	L407-F416 HydrophobicContact CD1-CD1 4.16Å; L407-F416 HydrophobicContact CD1-CE1 3.84Å; L414-F416 HydrophobicContact CB-CD1 3.8Å; L414-F416 HydrophobicContact CB-CE1 3.61Å; L414-F416 HydrophobicContact CD1-CE1 3.87Å; L414-F416 HydrophobicContact CD1-CZ 4.35Å; L414-F416 HydrophobicContact CG-CE1 4.35Å; F416-I418 HydrophobicContact CD2-CG2 4.02Å; F416-I418 HydrophobicContact CE2-CG2 3.61Å; F416-V429 HydrophobicContact CB-CG1 4.26Å; F416-V429 HydrophobicContact CD2-CG1 4.19Å; F416-V429 HydrophobicContact CD2-CG2 4.02Å; F416-V429 HydrophobicContact CE2-CG2 4.25Å; F416-F431 CarbonylContact C-O 3.47Å; F416-F431 VanDerWaalsContact CA-O 3.26Å; F416-F431 WeakPolarHBondContact CA-O 3.36Å; F416-F431 WeakPolarHBondContact CB-O 3.21Å; F416-I432 HydrophobicContact CB-CG1 4.08Å; F416-A438 HydrophobicContact CB-CB 4.12Å; F416-A438 HydrophobicContact CD1-CB 3.88Å; F416-A438 HydrophobicContact CG-CB 4.42Å; F416-L444 HydrophobicContact CB-CD2 4.14Å; F416-L444 HydrophobicContact CD1-CD2 3.65Å; F416-L444 HydrophobicContact CD2-CD2 3.96Å; F416-L444 HydrophobicContact CE1-CD2 3.93Å; F416-L444 HydrophobicContact CE2-CD2 4.24Å; F416-L444 HydrophobicContact CG-CD2 3.65Å; F416-L444 HydrophobicContact CZ-CD2 4.22Å; F416-I450 HydrophobicContact CE2-CD1 3.83Å; F416-I450 HydrophobicContact CZ-CD1 4.35Å; F416-L470 HydrophobicContact CE2-CD1 4.1Å; F416-L470 HydrophobicContact CZ-CD1 4.02Å; F416-L470 HydrophobicContact CZ-CD2 3.82Å; F416-I479 HydrophobicContact CE1-CD1 3.77Å; F416-I479 HydrophobicContact CZ-CD1 3.63Å
417	N	90.3	Very high	85	Confident	90 Å²	90	52.8 Å²	52.8	48%	0.481	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	150.9	176.8	-64.4	-17.4	0	0	0	111.1	V429 S430 F431	N417-V429 WeakPolarHBondContact O-CA 3.1Å; N417-S430 PolarHBondContact O-N 3.09Å; N417-F431 HydrophobicContact CB-CB 4.15Å; N417-F431 PolarHBondContact N-O 2.84Å
418	I	91.5	Very high	85.1	Confident	24 Å²	24	53 Å²	53	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.1	174.3	60.2	163.7	0	0	0	112.3	F416 I427 F428 I450 H463 A466 A467 L470	F416-I418 HydrophobicContact CD2-CG2 4.02Å; F416-I418 HydrophobicContact CE2-CG2 3.61Å; I418-I427 HydrophobicContact CB-CG2 4.02Å; I418-I427 HydrophobicContact CD1-CG2 4.01Å; I418-I427 HydrophobicContact CG2-CG2 4.15Å; I418-F428 CarbonylContact C-O 3.58Å; I418-F428 VanDerWaalsContact CA-O 3.23Å; I418-F428 WeakPolarHBondContact CA-O 3.2Å; I418-I450 HydrophobicContact CG2-CD1 3.69Å; I418-H463 PolarHBondContact O-CE1 3.29Å; I418-A466 HydrophobicContact CD1-CB 3.88Å; I418-A467 HydrophobicContact CD1-CB 4.39Å; I418-L470 HydrophobicContact CD1-CD1 4.13Å; I418-L470 HydrophobicContact CG2-CD1 4.07Å
419	V	86.6	Confident	85.2	Confident	40 Å²	40	47.3 Å²	47.3	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	171.8	174.2	-65.7	0	0	0	0	110.3	I427 F428 Y488 F491	V419-I427 WeakPolarHBondContact O-CA 3.35Å; V419-F428 HydrophobicContact CG2-CB 4.25Å; V419-F428 PolarHBondContact N-O 3.3Å; V419-F428 PolarHBondContact O-N 2.77Å; V419-Y488 HydrophobicContact CG2-CE2 3.84Å; V419-F491 HydrophobicContact CB-CE1 3.92Å; V419-F491 HydrophobicContact CB-CZ 4.2Å; V419-F491 HydrophobicContact CG2-CD1 4.25Å; V419-F491 HydrophobicContact CG2-CE1 3.53Å; V419-F491 HydrophobicContact CG2-CZ 4.23Å
420	G	87.6	Confident	85.2	Confident	11 Å²	11	46 Å²	46	11%	0.113	29%	0.293	C	S	.	.			trans	76.9	-170.1	-174.3	0	0	0	0	0	112.7	G426 H463	G420-G426 WeakPolarHBondContact CA-O 3.44Å; G420-H463 WeakPolarHBondContact O-CB 3.38Å; G420-H463 PolarHBondContact O-ND1 3.49Å
421	G	84.9	Confident	85.6	Confident	10 Å²	10	49.4 Å²	49.4	10%	0.103	30%	0.298	C	S	.	.			trans	85.6	28.2	-169.5	0	0	0	0	0	114.2	E425 G426 T462 H463	G421-E425 WeakPolarHBondContact CA-O 3.23Å; G421-E425 PolarHBondContact N-O 3.24Å; G421-G426 PolarHBondContact N-O 3.07Å; G421-T462 WeakPolarHBondContact O-CA 3.49Å; G421-H463 PolarHBondContact O-N 3.4Å
422	E	78.9	Confident	85.9	Confident	142 Å²	142	44.6 Å²	44.6	66%	0.664	26%	0.261	S	S	*	.	S	Bend	trans	-124.3	148.8	172.7	-171	161.8	-144.6	0	0	107.8	G424 E425	E422-G424 PolarHBondContact O-N 2.87Å; E422-E425 WeakPolarHBondContact O-CB 3.44Å; E422-E425 PolarHBondContact O-N 3.29Å
423	D	75.6	Confident	86	Confident	151 Å²	151	43.3 Å²	43.3	81%	0.807	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	24.5	-176.1	-65.1	-19.9	0	0	0	117
424	G	72.8	Confident	85.5	Confident	63 Å²	63	45.9 Å²	45.9	65%	0.649	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	6.7	-177.8	0	0	0	0	0	114.9	E422	E422-G424 PolarHBondContact O-N 2.87Å
425	E	84.3	Confident	85	Confident	54 Å²	54	47.6 Å²	47.6	25%	0.252	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-72.2	150.1	175.8	-60.7	-169.8	138.4	0	0	112	G421 E422 F491 K494	G421-E425 WeakPolarHBondContact CA-O 3.23Å; G421-E425 PolarHBondContact N-O 3.24Å; E422-E425 WeakPolarHBondContact O-CB 3.44Å; E422-E425 PolarHBondContact O-N 3.29Å; E425-F491 WeakPolarHBondContact OE2-CD2 3.07Å; E425-K494 VanDerWaalsContact OE1-CD 3.23Å; E425-K494 WeakPolarHBondContact OE1-CD 3.45Å; E425-K494 IonicContact OE1-NZ 2.76Å; E425-K494 PolarHBondContact OE1-NZ 2.84Å; E425-K494 IonicContact OE2-NZ 3Å; E425-K494 PolarHBondContact OE2-NZ 2.97Å
426	G	87.9	Confident	84.9	Confident	3 Å²	3	47.4 Å²	47.4	3%	0.031	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-64.1	157.2	-177.1	0	0	0	0	0	113.7	G420 G421 F428	G420-G426 WeakPolarHBondContact CA-O 3.44Å; G421-G426 PolarHBondContact N-O 3.07Å; G426-F428 WeakPolarHBondContact O-CD2 3.35Å; G426-F428 WeakPolarHBondContact O-CE2 3.23Å
427	I	93.6	Very high	84.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-80.8	121.1	166.4	-55.8	-66.7	0	0	0	108.2	I418 V419 R449 I450 A466	I418-I427 HydrophobicContact CB-CG2 4.02Å; I418-I427 HydrophobicContact CD1-CG2 4.01Å; I418-I427 HydrophobicContact CG2-CG2 4.15Å; V419-I427 WeakPolarHBondContact O-CA 3.35Å; I427-R449 CarbonylContact O-C 3.53Å; I427-R449 WeakPolarHBondContact O-CA 3.4Å; I427-I450 HydrophobicContact CB-CB 4.46Å; I427-I450 HydrophobicContact CG2-CB 4.24Å; I427-I450 HydrophobicContact CG2-CD1 4.27Å; I427-I450 PolarHBondContact O-N 2.54Å; I427-A466 HydrophobicContact CB-CB 4.47Å; I427-A466 HydrophobicContact CD1-CB 3.61Å; I427-A466 HydrophobicContact CG1-CB 3.7Å; I427-A466 HydrophobicContact CG2-CB 4.02Å
428	F	94	Very high	84.6	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.9	179.8	-61.5	-89.8	0	0	0	112.4	I418 V419 G426 D448 R449 R484 E487 Y488	I418-F428 CarbonylContact C-O 3.58Å; I418-F428 VanDerWaalsContact CA-O 3.23Å; I418-F428 WeakPolarHBondContact CA-O 3.2Å; V419-F428 HydrophobicContact CG2-CB 4.25Å; V419-F428 PolarHBondContact N-O 3.3Å; V419-F428 PolarHBondContact O-N 2.77Å; G426-F428 WeakPolarHBondContact O-CD2 3.35Å; G426-F428 WeakPolarHBondContact O-CE2 3.23Å; F428-D448 CarbonylContact C-O 3.54Å; F428-D448 WeakPolarHBondContact CA-O 3.08Å; F428-R449 HydrophobicContact CD1-CB 3.77Å; F428-R449 HydrophobicContact CD1-CG 4.16Å; F428-R449 HydrophobicContact CE1-CB 3.67Å; F428-R449 HydrophobicContact CE1-CG 3.89Å; F428-R449 HydrophobicContact CZ-CG 4.25Å; F428-R484 HydrophobicContact CE1-CB 4.35Å; F428-E487 HydrophobicContact CE1-CB 3.88Å; F428-E487 HydrophobicContact CZ-CB 3.81Å; F428-Y488 HydrophobicContact CB-CD2 3.47Å; F428-Y488 VanDerWaalsContact CB-CD2 3.47Å; F428-Y488 HydrophobicContact CB-CE2 3.86Å; F428-Y488 HydrophobicContact CD1-CD2 4.07Å; F428-Y488 HydrophobicContact CD2-CD2 4.48Å; F428-Y488 AromaticContact CG-CD2 3.79Å; F428-Y488 HydrophobicContact CG-CD2 3.79Å
429	V	91.3	Very high	84.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	117.8	169.7	179.4	0	0	0	0	109.6	F416 N417 I432 L444 R446 G447 D448 I450	F416-V429 HydrophobicContact CB-CG1 4.26Å; F416-V429 HydrophobicContact CD2-CG1 4.19Å; F416-V429 HydrophobicContact CD2-CG2 4.02Å; F416-V429 HydrophobicContact CE2-CG2 4.25Å; N417-V429 WeakPolarHBondContact O-CA 3.1Å; V429-I432 HydrophobicContact CG1-CD1 4.28Å; V429-I432 HydrophobicContact CG1-CG1 3.9Å; V429-L444 HydrophobicContact CG1-CD2 4.41Å; V429-L444 HydrophobicContact CG2-CD1 4.04Å; V429-L444 HydrophobicContact CG2-CD2 4.01Å; V429-L444 HydrophobicContact CG2-CG 4.08Å; V429-R446 WeakPolarHBondContact O-CA 3.49Å; V429-G447 PolarHBondContact O-N 3.4Å; V429-D448 HydrophobicContact CB-CB 4.47Å; V429-D448 HydrophobicContact CG2-CB 4.17Å; V429-D448 PolarHBondContact N-O 2.91Å; V429-I450 HydrophobicContact CG2-CD1 4.04Å; V429-I450 HydrophobicContact CG2-CG1 4.16Å
430	S	87.9	Confident	84.2	Confident	24 Å²	24	50.3 Å²	50.3	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-25.8	-178.4	57.3	0	0	0	0	114.7	N417 R446 Y488	N417-S430 PolarHBondContact O-N 3.09Å; S430-R446 WeakPolarHBondContact O-CD 3.35Å; S430-R446 WeakPolarHBondContact O-CG 3.22Å; S430-R446 PolarHBondContact O-NE 3.35Å; S430-Y488 VanDerWaalsContact CA-OH 3.32Å; S430-Y488 WeakPolarHBondContact CA-OH 3.4Å; S430-Y488 WeakPolarHBondContact CB-OH 3.34Å
431	F	87.1	Confident	84.1	Confident	105 Å²	105	51.7 Å²	51.7	46%	0.461	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146.5	-176.3	175.2	-98.9	0	0	0	109.9	F416 N417 L433	F416-F431 CarbonylContact C-O 3.47Å; F416-F431 VanDerWaalsContact CA-O 3.26Å; F416-F431 WeakPolarHBondContact CA-O 3.36Å; F416-F431 WeakPolarHBondContact CB-O 3.21Å; N417-F431 HydrophobicContact CB-CB 4.15Å; N417-F431 PolarHBondContact N-O 2.84Å; F431-L433 HydrophobicContact CE1-CB 4.07Å; F431-L433 HydrophobicContact CE1-CD1 4.23Å
432	I	84.3	Confident	84.1	Confident	32 Å²	32	53.3 Å²	53.3	16%	0.164	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.9	173.3	-65.3	-179.5	0	0	0	107.3	F416 V429 A434 A438 D439 L444	F416-I432 HydrophobicContact CB-CG1 4.08Å; V429-I432 HydrophobicContact CG1-CD1 4.28Å; V429-I432 HydrophobicContact CG1-CG1 3.9Å; I432-A434 PolarHBondContact O-N 2.97Å; I432-A438 HydrophobicContact CG2-CB 4.21Å; I432-D439 HydrophobicContact CG2-CB 3.73Å; I432-L444 HydrophobicContact CD1-CB 4.35Å; I432-L444 HydrophobicContact CD1-CG 4.4Å; I432-L444 WeakPolarHBondContact CD1-O 3.34Å
433	L	77	Confident	84.4	Confident	75 Å²	75	50.6 Å²	50.6	39%	0.393	32%	0.317	S	S	.	.			trans	-83.2	113	-178.2	179.4	67.3	0	0	0	109.2	G415 F431 G435 G436 D439	G415-L433 WeakPolarHBondContact O-CB 3.39Å; G415-L433 PolarHBondContact O-N 2.98Å; F431-L433 HydrophobicContact CE1-CB 4.07Å; F431-L433 HydrophobicContact CE1-CD1 4.23Å; L433-G435 PolarHBondContact O-N 2.85Å; L433-G436 WeakPolarHBondContact O-CA 3.41Å; L433-G436 PolarHBondContact O-N 2.63Å; L433-D439 WeakPolarHBondContact O-CB 3.46Å
434	A	76.3	Confident	85.2	Confident	82 Å²	82	43.7 Å²	43.7	68%	0.678	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	130.8	176.6	0	0	0	0	0	111.8	I432 G436 D439	I432-A434 PolarHBondContact O-N 2.97Å; A434-G436 PolarHBondContact O-N 2.78Å; A434-D439 WeakPolarHBondContact CA-OD2 3.38Å
435	G	76.8	Confident	85.9	Confident	53 Å²	53	45.8 Å²	45.8	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	2.3	-173.2	0	0	0	0	0	115.5	L433 D439 L440	L433-G435 PolarHBondContact O-N 2.85Å; G435-D439 PolarHBondContact N-OD2 3.42Å; G435-L440 WeakPolarHBondContact O-CD1 3.28Å
436	G	81.9	Confident	86.2	Confident	4 Å²	4	49.8 Å²	49.8	4%	0.041	28%	0.281	C	S	.	.	S	Bend	trans	-83.1	165.6	172.7	0	0	0	0	0	112.8	L433 A434 A438 D439 L440	L433-G436 WeakPolarHBondContact O-CA 3.41Å; L433-G436 PolarHBondContact O-N 2.63Å; A434-G436 PolarHBondContact O-N 2.78Å; G436-A438 VanDerWaalsContact C-N 3.31Å; G436-A438 PolarHBondContact O-N 3.12Å; G436-D439 WeakPolarHBondContact O-CB 3.27Å; G436-D439 PolarHBondContact O-N 2.88Å; G436-L440 WeakPolarHBondContact O-CG 3.1Å; G436-L440 PolarHBondContact O-N 2.94Å
437	P	87.2	Confident	86.1	Confident	27 Å²	27	49.7 Å²	49.7	18%	0.175	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-32.3	-173.5	-28.4	36.7	0	0	0	116	H408 S441	H408-P437 WeakPolarHBondContact O-CB 3.49Å; H408-P437 WeakPolarHBondContact O-CG 3.21Å; P437-S441 PolarHBondContact O-N 3.28Å
438	A	88.4	Confident	86.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-41.6	172.6	0	0	0	0	0	112.7	L407 L414 F416 I432 G436 S441 G442 L444	L407-A438 HydrophobicContact CD1-CB 3.92Å; L414-A438 WeakPolarHBondContact O-CB 3.17Å; L414-A438 PolarHBondContact O-N 3.48Å; F416-A438 HydrophobicContact CB-CB 4.12Å; F416-A438 HydrophobicContact CD1-CB 3.88Å; F416-A438 HydrophobicContact CG-CB 4.42Å; I432-A438 HydrophobicContact CG2-CB 4.21Å; G436-A438 VanDerWaalsContact C-N 3.31Å; G436-A438 PolarHBondContact O-N 3.12Å; A438-S441 PolarHBondContact O-N 2.61Å; A438-S441 PolarHBondContact O-OG 2.85Å; A438-G442 PolarHBondContact O-N 3.47Å; A438-L444 HydrophobicContact CB-CD2 4.01Å
439	D	86.2	Confident	86.1	Confident	76 Å²	76	51.8 Å²	51.8	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-49.7	176.6	-169.5	61.6	0	0	0	110.9	I432 L433 A434 G435 G436 S441 G442	I432-D439 HydrophobicContact CG2-CB 3.73Å; L433-D439 WeakPolarHBondContact O-CB 3.46Å; A434-D439 WeakPolarHBondContact CA-OD2 3.38Å; G435-D439 PolarHBondContact N-OD2 3.42Å; G436-D439 WeakPolarHBondContact O-CB 3.27Å; G436-D439 PolarHBondContact O-N 2.88Å; D439-S441 PolarHBondContact O-N 3.32Å; D439-S441 VanDerWaalsContact O-N 3.11Å; D439-G442 PolarHBondContact O-N 3.03Å
440	L	83.9	Confident	86.3	Confident	136 Å²	136	51.8 Å²	51.8	71%	0.712	29%	0.288	S	S	*	.	H	α-helix	trans	-63.2	-16	176.7	-64.4	174.6	0	0	0	114	G435 G436	G435-L440 WeakPolarHBondContact O-CD1 3.28Å; G436-L440 WeakPolarHBondContact O-CG 3.1Å; G436-L440 PolarHBondContact O-N 2.94Å
441	S	86	Confident	86.6	Confident	40 Å²	40	51.1 Å²	51.1	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-83.4	-30.3	173.2	78.3	0	0	0	0	113.3	L407 P437 A438 D439 E443	L407-S441 WeakPolarHBondContact CD2-OG 3.49Å; P437-S441 PolarHBondContact O-N 3.28Å; A438-S441 PolarHBondContact O-N 2.61Å; A438-S441 PolarHBondContact O-OG 2.85Å; D439-S441 PolarHBondContact O-N 3.32Å; D439-S441 VanDerWaalsContact O-N 3.11Å; S441-E443 WeakPolarHBondContact O-CG 3.49Å; S441-E443 PolarHBondContact O-N 2.79Å; S441-E443 PolarHBondContact OG-N 3.36Å
442	G	84.6	Confident	86.9	Confident	44 Å²	44	47.1 Å²	47.1	45%	0.454	27%	0.267	S	S	.	.			trans	64.9	-14.4	-170.4	0	0	0	0	0	116.4	F398 A438 D439	F398-G442 WeakPolarHBondContact CZ-O 3.22Å; A438-G442 PolarHBondContact O-N 3.47Å; D439-G442 PolarHBondContact O-N 3.03Å
443	E	86.4	Confident	87.4	Confident	86 Å²	86	45.7 Å²	45.7	40%	0.402	26%	0.26	S	S	.	.	S	Bend	trans	-78.2	-23.3	-171.9	-52	-169.2	122.3	0	0	114.3	F398 R403 I405 S441	F398-E443 WeakPolarHBondContact CE1-O 3.37Å; F398-E443 WeakPolarHBondContact CZ-O 3.48Å; R403-E443 PolarHBondContact NH2-O 2.93Å; I405-E443 VanDerWaalsContact CA-OE2 3.31Å; I405-E443 WeakPolarHBondContact CA-OE2 3.28Å; I405-E443 HydrophobicContact CB-CB 4.43Å; I405-E443 HydrophobicContact CD1-CB 4.09Å; I405-E443 WeakPolarHBondContact CD1-O 3.43Å; I405-E443 HydrophobicContact CG1-CB 3.8Å; I405-E443 HydrophobicContact CG2-CB 4.04Å; I405-E443 WeakPolarHBondContact CG2-OE2 3.23Å; S441-E443 WeakPolarHBondContact O-CG 3.49Å; S441-E443 PolarHBondContact O-N 2.79Å; S441-E443 PolarHBondContact OG-N 3.36Å
444	L	90.4	Very high	88	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	26%	0.261	C	S	.	.			trans	-103.7	139.6	-178.6	-163.7	74.3	0	0	0	110.4	I405 L407 F416 V429 I432 A438 D448 A481	I405-L444 HydrophobicContact CD1-CB 4.03Å; I405-L444 HydrophobicContact CD1-CD1 3.54Å; I405-L444 HydrophobicContact CD1-CG 4.42Å; L407-L444 HydrophobicContact CD1-CD2 4.44Å; F416-L444 HydrophobicContact CB-CD2 4.14Å; F416-L444 HydrophobicContact CD1-CD2 3.65Å; F416-L444 HydrophobicContact CD2-CD2 3.96Å; F416-L444 HydrophobicContact CE1-CD2 3.93Å; F416-L444 HydrophobicContact CE2-CD2 4.24Å; F416-L444 HydrophobicContact CG-CD2 3.65Å; F416-L444 HydrophobicContact CZ-CD2 4.22Å; V429-L444 HydrophobicContact CG1-CD2 4.41Å; V429-L444 HydrophobicContact CG2-CD1 4.04Å; V429-L444 HydrophobicContact CG2-CD2 4.01Å; V429-L444 HydrophobicContact CG2-CG 4.08Å; I432-L444 HydrophobicContact CD1-CB 4.35Å; I432-L444 HydrophobicContact CD1-CG 4.4Å; I432-L444 WeakPolarHBondContact CD1-O 3.34Å; A438-L444 HydrophobicContact CB-CD2 4.01Å; L444-D448 WeakPolarHBondContact CA-OD2 3.46Å; L444-D448 HydrophobicContact CD1-CB 4.22Å; L444-A481 HydrophobicContact CD1-CB 4Å
445	R	88.8	Confident	88.4	Confident	107 Å²	107	45.1 Å²	45.1	40%	0.404	26%	0.262	S	S	.	.			trans	-133.5	154.8	-179.4	-66.3	-174.1	179.3	-172	-1.6	112.8	F398 G447 D448 Y483	F398-R445 HydrophobicContact CD1-CG 4.3Å; F398-R445 VanDerWaalsContact CD2-CZ 3.46Å; F398-R445 VanDerWaalsContact CE1-CD 3.41Å; F398-R445 HydrophobicContact CE1-CG 3.65Å; F398-R445 VanDerWaalsContact CE1-NE 3.31Å; F398-R445 HydrophobicContact CZ-CG 4.11Å; F398-R445 VanDerWaalsContact CZ-NE 3.31Å; R445-G447 PolarHBondContact O-N 3.45Å; R445-D448 PolarHBondContact N-OD2 3.03Å; R445-D448 VanDerWaalsContact O-CB 3.32Å; R445-D448 WeakPolarHBondContact O-CB 3.47Å; R445-D448 PolarHBondContact O-N 3.2Å; R445-Y483 HydrophobicContact CB-CD2 4.22Å; R445-Y483 HydrophobicContact CB-CE2 3.98Å
446	R	90.9	Very high	89	Confident	138 Å²	138	46.4 Å²	46.4	52%	0.521	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	130	165.9	178.2	177.4	178.1	-154.1	-4	108.8	V429 S430 Y483 Y488 E492	V429-R446 WeakPolarHBondContact O-CA 3.49Å; S430-R446 WeakPolarHBondContact O-CD 3.35Å; S430-R446 WeakPolarHBondContact O-CG 3.22Å; S430-R446 PolarHBondContact O-NE 3.35Å; R446-Y483 WeakPolarHBondContact O-CE2 3.48Å; R446-Y488 HydrophobicContact CG-CE1 3.96Å; R446-E492 IonicContact CZ-OE1 2.74Å; R446-E492 IonicContact CZ-OE2 3.73Å; R446-E492 IonicContact NE-OE1 3.28Å; R446-E492 VanDerWaalsContact NH2-CD 3.27Å; R446-E492 IonicContact NH2-OE1 3.12Å; R446-E492 PolarHBondContact NH2-OE1 2.89Å; R446-E492 IonicContact NH2-OE2 2.63Å; R446-E492 PolarHBondContact NH2-OE2 2.84Å
447	G	86.1	Confident	89.5	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.01	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	2.7	-171.6	0	0	0	0	0	115.4	V429 R445 R484	V429-G447 PolarHBondContact O-N 3.4Å; R445-G447 PolarHBondContact O-N 3.45Å; G447-R484 CarbonylContact O-C 3.45Å; G447-R484 PolarHBondContact O-N 3.28Å
448	D	93.5	Very high	89.7	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.6	163.4	-87.6	-33.2	0	0	0	110.9	R403 F428 V429 L444 R445 A481 Y483	R403-D448 IonicContact CZ-OD1 2.66Å; R403-D448 IonicContact NH1-OD1 3.53Å; R403-D448 IonicContact NH2-OD1 3.72Å; R403-D448 PolarHBondContact NH2-OD1 2.86Å; R403-D448 IonicContact NH2-OD2 3.33Å; R403-D448 PolarHBondContact NH2-OD2 3.13Å; F428-D448 CarbonylContact C-O 3.54Å; F428-D448 WeakPolarHBondContact CA-O 3.08Å; V429-D448 HydrophobicContact CB-CB 4.47Å; V429-D448 HydrophobicContact CG2-CB 4.17Å; V429-D448 PolarHBondContact N-O 2.91Å; L444-D448 WeakPolarHBondContact CA-OD2 3.46Å; L444-D448 HydrophobicContact CD1-CB 4.22Å; R445-D448 PolarHBondContact N-OD2 3.03Å; R445-D448 VanDerWaalsContact O-CB 3.32Å; R445-D448 WeakPolarHBondContact O-CB 3.47Å; R445-D448 PolarHBondContact O-N 3.2Å; D448-A481 HydrophobicContact CB-CB 4.18Å; D448-Y483 WeakPolarHBondContact OD1-CA 3.43Å; D448-Y483 WeakPolarHBondContact OD1-CB 3.42Å; D448-Y483 PolarHBondContact OD1-N 3.25Å; D448-Y483 VanDerWaalsContact OD1-N 3.12Å
449	R	93.9	Very high	89.7	Confident	52 Å²	52	56 Å²	56	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.7	168.8	-171	176.7	174.1	158.5	0.4	109.6	I427 F428 L451 R459 A481 Q482 R484 E487	I427-R449 CarbonylContact O-C 3.53Å; I427-R449 WeakPolarHBondContact O-CA 3.4Å; F428-R449 HydrophobicContact CD1-CB 3.77Å; F428-R449 HydrophobicContact CD1-CG 4.16Å; F428-R449 HydrophobicContact CE1-CB 3.67Å; F428-R449 HydrophobicContact CE1-CG 3.89Å; F428-R449 HydrophobicContact CZ-CG 4.25Å; R449-L451 HydrophobicContact CG-CD2 4.11Å; R449-R459 PolarHBondContact NH2-O 3.48Å; R449-A481 CarbonylContact O-C 3.56Å; R449-A481 WeakPolarHBondContact O-CA 3.27Å; R449-Q482 PolarHBondContact N-O 3.32Å; R449-Q482 PolarHBondContact O-N 3.46Å; R449-R484 HydrophobicContact CB-CB 4.47Å; R449-R484 HydrophobicContact CB-CG 4.41Å; R449-E487 IonicContact CZ-OE2 3Å; R449-E487 IonicContact NH1-OE2 2.67Å; R449-E487 PolarHBondContact NH1-OE2 3.42Å
450	I	94.5	Very high	89.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.4	178.8	-58	178	0	0	0	109.3	F416 I418 I427 V429 V453 L458 I479	F416-I450 HydrophobicContact CE2-CD1 3.83Å; F416-I450 HydrophobicContact CZ-CD1 4.35Å; I418-I450 HydrophobicContact CG2-CD1 3.69Å; I427-I450 HydrophobicContact CB-CB 4.46Å; I427-I450 HydrophobicContact CG2-CB 4.24Å; I427-I450 HydrophobicContact CG2-CD1 4.27Å; I427-I450 PolarHBondContact O-N 2.54Å; V429-I450 HydrophobicContact CG2-CD1 4.04Å; V429-I450 HydrophobicContact CG2-CG1 4.16Å; I450-V453 HydrophobicContact CG2-CG2 3.95Å; I450-L458 HydrophobicContact CG2-CD1 3.93Å; I450-I479 HydrophobicContact CG1-CG2 4.39Å; I450-I479 HydrophobicContact CG2-CG2 3.89Å
451	L	93.9	Very high	89.8	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-31.8	-178	-51.2	-175.1	0	0	0	112.5	P402 R449 N457 L458 R459 V480 Q482	P402-L451 HydrophobicContact CB-CD1 3.91Å; P402-L451 HydrophobicContact CG-CD1 3.82Å; R449-L451 HydrophobicContact CG-CD2 4.11Å; L451-N457 PolarHBondContact O-OD1 3.38Å; L451-L458 PolarHBondContact O-N 2.98Å; L451-R459 HydrophobicContact CB-CG 4.16Å; L451-R459 HydrophobicContact CD2-CG 4.06Å; L451-V480 HydrophobicContact CB-CG1 4.39Å; L451-V480 PolarHBondContact N-O 2.88Å; L451-Q482 HydrophobicContact CD1-CB 4Å; L451-Q482 HydrophobicContact CG-CB 4.38Å
452	S	93.9	Very high	90	Very high	21 Å²	21	54.1 Å²	54.1	15%	0.147	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160	170.2	72.2	0	0	0	0	113.4	V456 V480	S452-V456 CarbonylContact C-O 3.59Å; S452-V456 WeakPolarHBondContact CA-O 3.25Å; S452-V456 WeakPolarHBondContact CB-O 3.28Å; S452-V480 PolarHBondContact N-O 3.46Å; S452-V480 PolarHBondContact O-N 3.33Å; S452-V480 WeakPolarHBondContact OG-CB 3.45Å; S452-V480 WeakPolarHBondContact OG-CG2 3.36Å
453	V	94.6	Very high	90.2	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.5	174.3	171.4	0	0	0	0	109	I450 G455 V456 L458 A469 L470 A473 V477 T478 I479	I450-V453 HydrophobicContact CG2-CG2 3.95Å; V453-G455 PolarHBondContact O-N 3.09Å; V453-G455 VanDerWaalsContact O-N 3.11Å; V453-V456 PolarHBondContact N-O 3.4Å; V453-V456 VanDerWaalsContact O-CB 3.3Å; V453-V456 WeakPolarHBondContact O-CB 3.34Å; V453-V456 PolarHBondContact O-N 2.84Å; V453-L458 HydrophobicContact CB-CD1 4.09Å; V453-L458 HydrophobicContact CG2-CD1 3.6Å; V453-A469 HydrophobicContact CB-CB 4.35Å; V453-A469 HydrophobicContact CG1-CB 4.46Å; V453-L470 HydrophobicContact CB-CD2 4.47Å; V453-L470 HydrophobicContact CG1-CD2 3.98Å; V453-L470 HydrophobicContact CG2-CD2 3.62Å; V453-L470 HydrophobicContact CG2-CG 4.09Å; V453-A473 HydrophobicContact CG1-CB 4.21Å; V453-V477 HydrophobicContact CG1-CG1 3.84Å; V453-T478 CarbonylContact C-O 3.56Å; V453-T478 WeakPolarHBondContact CA-O 3.48Å; V453-I479 HydrophobicContact CG2-CG1 4.4Å; V453-I479 HydrophobicContact CG2-CG2 4.35Å
454	N	90.4	Very high	90.4	Very high	77 Å²	77	59.3 Å²	59.3	41%	0.412	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	38.3	-174	-73.3	6.4	0	0	0	113.5	V456 V477 T478	N454-V456 VanDerWaalsContact C-N 3.3Å; N454-V456 PolarHBondContact O-N 2.99Å; N454-V477 WeakPolarHBondContact OD1-CA 3.33Å; N454-T478 PolarHBondContact N-O 2.91Å; N454-T478 PolarHBondContact OD1-N 3.18Å; N454-T478 PolarHBondContact OD1-O 2.91Å
455	G	83.9	Confident	90.3	Very high	69 Å²	69	64.1 Å²	64.1	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-12.4	-177.6	0	0	0	0	0	115.4	V453 N457	V453-G455 PolarHBondContact O-N 3.09Å; V453-G455 VanDerWaalsContact O-N 3.11Å; G455-N457 PolarHBondContact O-N 3.12Å
456	V	90.6	Very high	90.4	Very high	80 Å²	80	59 Å²	59	49%	0.485	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	114.3	172.4	-175.7	0	0	0	0	108.9	S452 V453 N454 L458	S452-V456 CarbonylContact C-O 3.59Å; S452-V456 WeakPolarHBondContact CA-O 3.25Å; S452-V456 WeakPolarHBondContact CB-O 3.28Å; V453-V456 PolarHBondContact N-O 3.4Å; V453-V456 VanDerWaalsContact O-CB 3.3Å; V453-V456 WeakPolarHBondContact O-CB 3.34Å; V453-V456 PolarHBondContact O-N 2.84Å; N454-V456 VanDerWaalsContact C-N 3.3Å; N454-V456 PolarHBondContact O-N 2.99Å; V456-L458 HydrophobicContact CG1-CD2 4.26Å
457	N	90.6	Very high	90.3	Very high	103 Å²	103	53.4 Å²	53.4	55%	0.551	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.9	178.4	-178.1	-2.8	0	0	0	110.8	L451 G455 R459	L451-N457 PolarHBondContact O-OD1 3.38Å; G455-N457 PolarHBondContact O-N 3.12Å; N457-R459 WeakPolarHBondContact OD1-CB 3.44Å; N457-R459 WeakPolarHBondContact OD1-CG 3.07Å; N457-R459 PolarHBondContact OD1-N 3.46Å
458	L	92	Very high	90.5	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	30%	0.298	C	S	.	.			trans	-117.7	4.8	-178	-62.5	-177.3	0	0	0	114	I450 L451 V453 V456 N460 A461 A466 A469	I450-L458 HydrophobicContact CG2-CD1 3.93Å; L451-L458 PolarHBondContact O-N 2.98Å; V453-L458 HydrophobicContact CB-CD1 4.09Å; V453-L458 HydrophobicContact CG2-CD1 3.6Å; V456-L458 HydrophobicContact CG1-CD2 4.26Å; L458-N460 PolarHBondContact O-N 3.38Å; L458-A461 HydrophobicContact CB-CB 4.14Å; L458-A461 HydrophobicContact CD2-CB 3.63Å; L458-A461 HydrophobicContact CG-CB 4.5Å; L458-A461 PolarHBondContact O-N 2.94Å; L458-A461 VanDerWaalsContact O-N 3.1Å; L458-A466 HydrophobicContact CD1-CB 3.98Å; L458-A466 HydrophobicContact CD2-CB 4.24Å; L458-A469 HydrophobicContact CD1-CB 4.43Å; L458-A469 HydrophobicContact CD2-CB 4.23Å
459	R	88.3	Confident	90.4	Very high	126 Å²	126	55.1 Å²	55.1	48%	0.475	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.5	-174.5	-75.4	178.6	167.5	148.5	-2	114.8	R449 L451 N457	R449-R459 PolarHBondContact NH2-O 3.48Å; L451-R459 HydrophobicContact CB-CG 4.16Å; L451-R459 HydrophobicContact CD2-CG 4.06Å; N457-R459 WeakPolarHBondContact OD1-CB 3.44Å; N457-R459 WeakPolarHBondContact OD1-CG 3.07Å; N457-R459 PolarHBondContact OD1-N 3.46Å
460	N	85.8	Confident	90.2	Very high	142 Å²	142	53.6 Å²	53.6	76%	0.759	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	22.2	-179.5	-54.9	15.3	0	0	0	111.2	L458	L458-N460 PolarHBondContact O-N 3.38Å
461	A	86.7	Confident	89.8	Confident	11 Å²	11	61.4 Å²	61.4	9%	0.091	33%	0.332	C	S	.	.			trans	-82.6	150.6	-177.7	0	0	0	0	0	111.5	L458 Q465	L458-A461 HydrophobicContact CB-CB 4.14Å; L458-A461 HydrophobicContact CD2-CB 3.63Å; L458-A461 HydrophobicContact CG-CB 4.5Å; L458-A461 PolarHBondContact O-N 2.94Å; L458-A461 VanDerWaalsContact O-N 3.1Å; A461-Q465 HydrophobicContact CB-CB 4.08Å
462	T	90.1	Very high	89.3	Confident	61 Å²	61	70.8 Å²	70.8	37%	0.374	37%	0.367	S	S	.	.			trans	-70.4	159.9	174.1	71.8	0	0	0	0	111.5	G421 E464 Q465 A466	G421-T462 WeakPolarHBondContact O-CA 3.49Å; T462-E464 PolarHBondContact O-N 2.81Å; T462-Q465 WeakPolarHBondContact O-CB 3.36Å; T462-Q465 PolarHBondContact O-N 3.1Å; T462-Q465 VanDerWaalsContact OG1-CG 3.3Å; T462-Q465 WeakPolarHBondContact OG1-CG 3.41Å; T462-Q465 PolarHBondContact OG1-N 3.08Å; T462-A466 PolarHBondContact O-N 3.1Å
463	H	88.3	Confident	88.5	Confident	85 Å²	85	70.3 Å²	70.3	39%	0.394	36%	0.364	S	S	.	.	H	α-helix	trans	-49.4	-46.3	174.7	-173.5	85.7	0	0	0	112.6	I418 G420 G421 A466 A467	I418-H463 PolarHBondContact O-CE1 3.29Å; G420-H463 WeakPolarHBondContact O-CB 3.38Å; G420-H463 PolarHBondContact O-ND1 3.49Å; G421-H463 PolarHBondContact O-N 3.4Å; H463-A466 PolarHBondContact O-N 3.16Å; H463-A467 WeakPolarHBondContact O-CB 3.33Å; H463-A467 PolarHBondContact O-N 2.8Å
464	E	90.6	Very high	87.9	Confident	154 Å²	154	72.2 Å²	72.2	72%	0.72	39%	0.385	S	S	*	.	H	α-helix	trans	-64.5	-42	179	-174.1	-179.9	-161.7	0	0	112.1	T462 A466 A467 A468	T462-E464 PolarHBondContact O-N 2.81Å; E464-A466 PolarHBondContact O-N 2.75Å; E464-A467 PolarHBondContact O-N 3.47Å; E464-A468 WeakPolarHBondContact O-CB 3.33Å; E464-A468 PolarHBondContact O-N 3.3Å
465	Q	89.3	Confident	87.7	Confident	107 Å²	107	75.4 Å²	75.4	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-62.9	-43	177.8	-71.5	167.5	-3.1	0	0	111.6	A461 T462 A468 A469	A461-Q465 HydrophobicContact CB-CB 4.08Å; T462-Q465 WeakPolarHBondContact O-CB 3.36Å; T462-Q465 PolarHBondContact O-N 3.1Å; T462-Q465 VanDerWaalsContact OG1-CG 3.3Å; T462-Q465 WeakPolarHBondContact OG1-CG 3.41Å; T462-Q465 PolarHBondContact OG1-N 3.08Å; Q465-A468 PolarHBondContact O-N 3.27Å; Q465-A469 WeakPolarHBondContact O-CB 3.4Å; Q465-A469 PolarHBondContact O-N 3.2Å
466	A	90.3	Very high	87.9	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.5	-46	176.1	0	0	0	0	0	112.3	I418 I427 L458 T462 H463 E464 A468 A469 L470	I418-A466 HydrophobicContact CD1-CB 3.88Å; I427-A466 HydrophobicContact CB-CB 4.47Å; I427-A466 HydrophobicContact CD1-CB 3.61Å; I427-A466 HydrophobicContact CG1-CB 3.7Å; I427-A466 HydrophobicContact CG2-CB 4.02Å; L458-A466 HydrophobicContact CD1-CB 3.98Å; L458-A466 HydrophobicContact CD2-CB 4.24Å; T462-A466 PolarHBondContact O-N 3.1Å; H463-A466 PolarHBondContact O-N 3.16Å; E464-A466 PolarHBondContact O-N 2.75Å; A466-A468 VanDerWaalsContact C-N 3.3Å; A466-A468 PolarHBondContact O-N 2.91Å; A466-A469 PolarHBondContact O-N 3.49Å; A466-L470 PolarHBondContact O-N 3.08Å
467	A	90.1	Very high	88	Confident	19 Å²	19	70.5 Å²	70.5	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-39.3	174.2	0	0	0	0	0	111.8	I418 H463 E464 K471	I418-A467 HydrophobicContact CD1-CB 4.39Å; H463-A467 WeakPolarHBondContact O-CB 3.33Å; H463-A467 PolarHBondContact O-N 2.8Å; E464-A467 PolarHBondContact O-N 3.47Å; A467-K471 VanDerWaalsContact O-CB 3.27Å; A467-K471 WeakPolarHBondContact O-CB 3.39Å; A467-K471 WeakPolarHBondContact O-CG 3.34Å; A467-K471 PolarHBondContact O-N 3.07Å
468	A	89.5	Confident	88.2	Confident	26 Å²	26	67.3 Å²	67.3	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-72.2	-26.6	177.5	0	0	0	0	0	113.2	E464 Q465 A466 R472	E464-A468 WeakPolarHBondContact O-CB 3.33Å; E464-A468 PolarHBondContact O-N 3.3Å; Q465-A468 PolarHBondContact O-N 3.27Å; A466-A468 VanDerWaalsContact C-N 3.3Å; A466-A468 PolarHBondContact O-N 2.91Å; A468-R472 VanDerWaalsContact O-CB 3.27Å; A468-R472 WeakPolarHBondContact O-CB 3.27Å; A468-R472 WeakPolarHBondContact O-CG 3.22Å; A468-R472 PolarHBondContact O-N 3.4Å; A468-R472 VanDerWaalsContact O-N 3.12Å; A468-R472 PolarHBondContact O-NE 3.38Å; A468-R472 VanDerWaalsContact O-NE 3.1Å
469	A	90.4	Very high	88.3	Confident	12 Å²	12	67.2 Å²	67.2	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-71.6	-49.9	170.7	0	0	0	0	0	111.1	V453 L458 Q465 A466 K471 R472 A473	V453-A469 HydrophobicContact CB-CB 4.35Å; V453-A469 HydrophobicContact CG1-CB 4.46Å; L458-A469 HydrophobicContact CD1-CB 4.43Å; L458-A469 HydrophobicContact CD2-CB 4.23Å; Q465-A469 WeakPolarHBondContact O-CB 3.4Å; Q465-A469 PolarHBondContact O-N 3.2Å; A466-A469 PolarHBondContact O-N 3.49Å; A469-K471 VanDerWaalsContact C-N 3.33Å; A469-K471 PolarHBondContact O-N 3.41Å; A469-R472 PolarHBondContact O-N 2.85Å; A469-A473 WeakPolarHBondContact O-CB 3.34Å; A469-A473 PolarHBondContact O-N 3.43Å
470	L	90.1	Very high	88.6	Confident	19 Å²	19	62.8 Å²	62.8	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-38.7	176.6	-71.4	167.6	0	0	0	112.5	K409 L414 F416 I418 V453 A466 V477 I479	K409-L470 PolarHBondContact NZ-O 2.72Å; L414-L470 HydrophobicContact CD1-CD2 3.92Å; F416-L470 HydrophobicContact CE2-CD1 4.1Å; F416-L470 HydrophobicContact CZ-CD1 4.02Å; F416-L470 HydrophobicContact CZ-CD2 3.82Å; I418-L470 HydrophobicContact CD1-CD1 4.13Å; I418-L470 HydrophobicContact CG2-CD1 4.07Å; V453-L470 HydrophobicContact CB-CD2 4.47Å; V453-L470 HydrophobicContact CG1-CD2 3.98Å; V453-L470 HydrophobicContact CG2-CD2 3.62Å; V453-L470 HydrophobicContact CG2-CG 4.09Å; A466-L470 PolarHBondContact O-N 3.08Å; L470-V477 HydrophobicContact CD2-CG1 4.39Å; L470-I479 HydrophobicContact CD2-CD1 4.1Å
471	K	86.5	Confident	89	Confident	165 Å²	165	56 Å²	56	72%	0.717	29%	0.29	S	S	*	.	H	α-helix	trans	-66.8	-46.5	175.2	-75	170.5	-177.8	176.4	0	112.2	K409 A467 A469	K409-K471 PolarHBondContact NZ-O 3Å; K409-K471 VanDerWaalsContact NZ-O 3.09Å; A467-K471 VanDerWaalsContact O-CB 3.27Å; A467-K471 WeakPolarHBondContact O-CB 3.39Å; A467-K471 WeakPolarHBondContact O-CG 3.34Å; A467-K471 PolarHBondContact O-N 3.07Å; A469-K471 VanDerWaalsContact C-N 3.33Å; A469-K471 PolarHBondContact O-N 3.41Å
472	R	83.6	Confident	89.3	Confident	205 Å²	205	56.9 Å²	56.9	77%	0.774	29%	0.292	S	S	*	.	H	α-helix	trans	-79.7	-14	-178.6	-71.7	-177.4	-74.5	-167.5	-2.6	115.2	A468 A469	A468-R472 VanDerWaalsContact O-CB 3.27Å; A468-R472 WeakPolarHBondContact O-CB 3.27Å; A468-R472 WeakPolarHBondContact O-CG 3.22Å; A468-R472 PolarHBondContact O-N 3.4Å; A468-R472 VanDerWaalsContact O-N 3.12Å; A468-R472 PolarHBondContact O-NE 3.38Å; A468-R472 VanDerWaalsContact O-NE 3.1Å; A469-R472 PolarHBondContact O-N 2.85Å
473	A	77.4	Confident	89.4	Confident	11 Å²	11	55.9 Å²	55.9	9%	0.091	28%	0.282	C	S	.	.	S	Bend	trans	-57	147.4	167.5	0	0	0	0	0	110.7	K409 V453 A469 V477	K409-A473 PolarHBondContact NZ-O 3.43Å; V453-A473 HydrophobicContact CG1-CB 4.21Å; A469-A473 WeakPolarHBondContact O-CB 3.34Å; A469-A473 PolarHBondContact O-N 3.43Å; A473-V477 HydrophobicContact CB-CB 4.24Å; A473-V477 HydrophobicContact CB-CG1 3.77Å; A473-V477 HydrophobicContact CB-CG2 3.65Å
474	G	80.9	Confident	89.5	Confident	43 Å²	43	55.8 Å²	55.8	44%	0.443	28%	0.278	S	S	.	.			trans	-74.2	-157.4	-174.7	0	0	0	0	0	114	K409 S476	K409-G474 VanDerWaalsContact CD-O 3.29Å; K409-G474 WeakPolarHBondContact CD-O 3.48Å; K409-G474 VanDerWaalsContact CE-O 3.29Å; K409-G474 WeakPolarHBondContact CE-O 3.49Å; G474-S476 PolarHBondContact O-N 3.33Å
475	Q	86.4	Confident	89.1	Confident	143 Å²	143	50.1 Å²	50.1	67%	0.668	26%	0.255	S	S	*	.	S	Bend	trans	-64.9	-27.6	174.9	-74.8	-66.2	-1.4	0	0	113.2	H408 K409	H408-Q475 CarbonylContact C-O 3.58Å; H408-Q475 VanDerWaalsContact CA-O 3.32Å; H408-Q475 WeakPolarHBondContact CA-O 3.44Å; K409-Q475 PolarHBondContact N-O 2.92Å
476	S	88.8	Confident	88.9	Confident	46 Å²	46	48.5 Å²	48.5	32%	0.322	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.6	167.5	-171.9	0	0	0	0	109.8	I406 H408 G474	I406-S476 WeakPolarHBondContact CG2-OG 3.4Å; H408-S476 PolarHBondContact NE2-OG 3.03Å; G474-S476 PolarHBondContact O-N 3.33Å
477	V	93.4	Very high	88.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	104.3	-172.8	-171.9	0	0	0	0	108.8	L407 K409 L414 V453 N454 L470 A473 I479	L407-V477 PolarHBondContact N-O 2.76Å; L407-V477 PolarHBondContact O-N 2.9Å; K409-V477 HydrophobicContact CD-CG2 4.42Å; K409-V477 HydrophobicContact CG-CG2 4.16Å; L414-V477 HydrophobicContact CD1-CB 4.38Å; L414-V477 HydrophobicContact CD1-CG1 4.17Å; L414-V477 HydrophobicContact CD1-CG2 4.19Å; L414-V477 HydrophobicContact CD2-CB 4.15Å; L414-V477 HydrophobicContact CD2-CG2 3.85Å; V453-V477 HydrophobicContact CG1-CG1 3.84Å; N454-V477 WeakPolarHBondContact OD1-CA 3.33Å; L470-V477 HydrophobicContact CD2-CG1 4.39Å; A473-V477 HydrophobicContact CB-CB 4.24Å; A473-V477 HydrophobicContact CB-CG1 3.77Å; A473-V477 HydrophobicContact CB-CG2 3.65Å; V477-I479 HydrophobicContact CG1-CD1 4.35Å; V477-I479 HydrophobicContact CG1-CG1 3.9Å
478	T	93.4	Very high	88.5	Confident	36 Å²	36	50.6 Å²	50.6	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.5	168.2	-62.4	0	0	0	0	109.1	K404 I405 V453 N454	K404-T478 HydrophobicContact CD-CG2 4.21Å; K404-T478 VanDerWaalsContact CE-CG2 3.43Å; K404-T478 HydrophobicContact CG-CG2 3.71Å; I405-T478 CarbonylContact O-C 3.51Å; I405-T478 VanDerWaalsContact O-CA 3.32Å; I405-T478 WeakPolarHBondContact O-CA 3.42Å; V453-T478 CarbonylContact C-O 3.56Å; V453-T478 WeakPolarHBondContact CA-O 3.48Å; N454-T478 PolarHBondContact N-O 2.91Å; N454-T478 PolarHBondContact OD1-N 3.18Å; N454-T478 PolarHBondContact OD1-O 2.91Å
479	I	95.1	Very high	88.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.5	176	-52.1	-178	0	0	0	107.8	K404 I405 L407 F416 I450 V453 L470 V477 A481	K404-I479 CarbonylContact C-O 3.57Å; I405-I479 HydrophobicContact CB-CB 4.4Å; I405-I479 PolarHBondContact N-O 3.08Å; I405-I479 PolarHBondContact O-N 3.27Å; L407-I479 HydrophobicContact CD1-CD1 3.89Å; L407-I479 HydrophobicContact CG-CD1 4.41Å; F416-I479 HydrophobicContact CE1-CD1 3.77Å; F416-I479 HydrophobicContact CZ-CD1 3.63Å; I450-I479 HydrophobicContact CG1-CG2 4.39Å; I450-I479 HydrophobicContact CG2-CG2 3.89Å; V453-I479 HydrophobicContact CG2-CG1 4.4Å; V453-I479 HydrophobicContact CG2-CG2 4.35Å; L470-I479 HydrophobicContact CD2-CD1 4.1Å; V477-I479 HydrophobicContact CG1-CD1 4.35Å; V477-I479 HydrophobicContact CG1-CG1 3.9Å; I479-A481 HydrophobicContact CG2-CB 4.28Å
480	V	94.4	Very high	87.9	Confident	34 Å²	34	60.3 Å²	60.3	21%	0.206	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115	165.1	-177.4	0	0	0	0	107.7	P402 R403 K404 L451 S452	P402-V480 HydrophobicContact CB-CG1 3.78Å; R403-V480 VanDerWaalsContact O-CA 3.32Å; R403-V480 WeakPolarHBondContact O-CA 3.4Å; K404-V480 HydrophobicContact CB-CG2 4.5Å; K404-V480 HydrophobicContact CG-CG2 4.37Å; L451-V480 HydrophobicContact CB-CG1 4.39Å; L451-V480 PolarHBondContact N-O 2.88Å; S452-V480 PolarHBondContact N-O 3.46Å; S452-V480 PolarHBondContact O-N 3.33Å; S452-V480 WeakPolarHBondContact OG-CB 3.45Å; S452-V480 WeakPolarHBondContact OG-CG2 3.36Å
481	A	94.1	Very high	87.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.8	-176.2	0	0	0	0	0	111.2	P402 R403 I405 L444 D448 R449 I479	P402-A481 CarbonylContact C-O 3.13Å; P402-A481 WeakPolarHBondContact CA-O 3.49Å; R403-A481 PolarHBondContact N-O 3Å; R403-A481 PolarHBondContact O-N 3.05Å; I405-A481 HydrophobicContact CD1-CB 4.02Å; L444-A481 HydrophobicContact CD1-CB 4Å; D448-A481 HydrophobicContact CB-CB 4.18Å; R449-A481 CarbonylContact O-C 3.56Å; R449-A481 WeakPolarHBondContact O-CA 3.27Å; I479-A481 HydrophobicContact CG2-CB 4.28Å
482	Q	93.3	Very high	87.2	Confident	29 Å²	29	56.1 Å²	56.1	14%	0.136	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.9	-178.8	-175.9	174.8	17.8	0	0	109.9	R400 R449 L451 R484	R400-Q482 WeakPolarHBondContact O-CG 3.39Å; R400-Q482 PolarHBondContact O-NE2 3.35Å; R449-Q482 PolarHBondContact N-O 3.32Å; R449-Q482 PolarHBondContact O-N 3.46Å; L451-Q482 HydrophobicContact CD1-CB 4Å; L451-Q482 HydrophobicContact CG-CB 4.38Å; Q482-R484 HydrophobicContact CG-CG 4.32Å; Q482-R484 PolarHBondContact O-N 3.34Å
483	Y	92.1	Very high	86.9	Confident	39 Å²	39	49.2 Å²	49.2	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.3	-176.9	-167.4	-127.2	0	0	0	110	R445 R446 D448 P485	R445-Y483 HydrophobicContact CB-CD2 4.22Å; R445-Y483 HydrophobicContact CB-CE2 3.98Å; R446-Y483 WeakPolarHBondContact O-CE2 3.48Å; D448-Y483 WeakPolarHBondContact OD1-CA 3.43Å; D448-Y483 WeakPolarHBondContact OD1-CB 3.42Å; D448-Y483 PolarHBondContact OD1-N 3.25Å; D448-Y483 VanDerWaalsContact OD1-N 3.12Å; Y483-P485 HydrophobicContact CD1-CG 4.11Å; Y483-P485 HydrophobicContact CE1-CB 4.33Å; Y483-P485 HydrophobicContact CE1-CG 3.64Å; Y483-P485 HydrophobicContact CE2-CB 4.38Å; Y483-P485 HydrophobicContact CE2-CG 4.41Å
484	R	89.4	Confident	86.9	Confident	83 Å²	83	52.5 Å²	52.5	31%	0.313	27%	0.269	S	S	.	.			trans	-140.7	59.2	-176.3	-68.4	-62.3	179	122.5	-12.1	111.1	F428 G447 R449 Q482 E486 E487 Y488	F428-R484 HydrophobicContact CE1-CB 4.35Å; G447-R484 CarbonylContact O-C 3.45Å; G447-R484 PolarHBondContact O-N 3.28Å; R449-R484 HydrophobicContact CB-CB 4.47Å; R449-R484 HydrophobicContact CB-CG 4.41Å; Q482-R484 HydrophobicContact CG-CG 4.32Å; Q482-R484 PolarHBondContact O-N 3.34Å; R484-E486 PolarHBondContact O-N 2.92Å; R484-E487 HydrophobicContact CB-CB 4.06Å; R484-E487 HydrophobicContact CB-CG 4.25Å; R484-E487 VanDerWaalsContact CD-OE1 3.29Å; R484-E487 WeakPolarHBondContact CD-OE1 3.44Å; R484-E487 IonicContact CZ-OE1 3.94Å; R484-E487 IonicContact NE-OE1 3.76Å; R484-E487 IonicContact NH1-OE1 2.86Å; R484-E487 PolarHBondContact NH1-OE1 3.04Å; R484-E487 PolarHBondContact O-N 3.02Å; R484-E487 VanDerWaalsContact O-N 3.12Å; R484-Y488 PolarHBondContact O-N 2.95Å
485	P	83.1	Confident	86.5	Confident	36 Å²	36	52.2 Å²	52.2	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-30.3	-178.1	27	-35.5	0	0	0	112.5	Y483 Y488 S489	Y483-P485 HydrophobicContact CD1-CG 4.11Å; Y483-P485 HydrophobicContact CE1-CB 4.33Å; Y483-P485 HydrophobicContact CE1-CG 3.64Å; Y483-P485 HydrophobicContact CE2-CB 4.38Å; Y483-P485 HydrophobicContact CE2-CG 4.41Å; P485-Y488 PolarHBondContact O-N 2.83Å; P485-S489 VanDerWaalsContact O-CB 3.23Å; P485-S489 WeakPolarHBondContact O-CB 3.05Å; P485-S489 PolarHBondContact O-N 2.95Å
486	E	85.3	Confident	85.8	Confident	73 Å²	73	50.8 Å²	50.8	34%	0.341	25%	0.25	S	C	.	.	H	α-helix	trans	-77.5	-27.1	179.2	-47	91.6	152	0	0	113.5	R400 R484 R490	R400-E486 IonicContact CZ-OE1 3.56Å; R400-E486 IonicContact NH1-OE1 2.69Å; R400-E486 PolarHBondContact NH1-OE1 3.23Å; R400-E486 IonicContact NH1-OE2 3.79Å; R400-E486 IonicContact NH2-OE1 3.55Å; R400-E486 PolarHBondContact NH2-OE1 3.38Å; R400-E486 VanDerWaalsContact NH2-OE1 3.07Å; R484-E486 PolarHBondContact O-N 2.92Å; E486-R490 VanDerWaalsContact O-CG 3.3Å; E486-R490 WeakPolarHBondContact O-CG 3.35Å; E486-R490 PolarHBondContact O-NE 2.81Å
487	E	85.3	Confident	85	Confident	49 Å²	49	52.3 Å²	52.3	23%	0.229	26%	0.255	C	S	.	.	H	α-helix	trans	-74.6	-43.5	168.6	-69.7	174.4	-139.8	0	0	109.9	F428 R449 R484 R490 F491	F428-E487 HydrophobicContact CE1-CB 3.88Å; F428-E487 HydrophobicContact CZ-CB 3.81Å; R449-E487 IonicContact CZ-OE2 3Å; R449-E487 IonicContact NH1-OE2 2.67Å; R449-E487 PolarHBondContact NH1-OE2 3.42Å; R484-E487 HydrophobicContact CB-CB 4.06Å; R484-E487 HydrophobicContact CB-CG 4.25Å; R484-E487 VanDerWaalsContact CD-OE1 3.29Å; R484-E487 WeakPolarHBondContact CD-OE1 3.44Å; R484-E487 IonicContact CZ-OE1 3.94Å; R484-E487 IonicContact NE-OE1 3.76Å; R484-E487 IonicContact NH1-OE1 2.86Å; R484-E487 PolarHBondContact NH1-OE1 3.04Å; R484-E487 PolarHBondContact O-N 3.02Å; R484-E487 VanDerWaalsContact O-N 3.12Å; E487-R490 PolarHBondContact O-N 3.33Å; E487-F491 PolarHBondContact O-N 2.65Å
488	Y	86.8	Confident	83.7	Confident	14 Å²	14	56.2 Å²	56.2	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-42	179.3	-176.9	-101.5	0	0	0	112.8	V419 F428 S430 R446 R484 P485 F491 E492	V419-Y488 HydrophobicContact CG2-CE2 3.84Å; F428-Y488 HydrophobicContact CB-CD2 3.47Å; F428-Y488 VanDerWaalsContact CB-CD2 3.47Å; F428-Y488 HydrophobicContact CB-CE2 3.86Å; F428-Y488 HydrophobicContact CD1-CD2 4.07Å; F428-Y488 HydrophobicContact CD2-CD2 4.48Å; F428-Y488 AromaticContact CG-CD2 3.79Å; F428-Y488 HydrophobicContact CG-CD2 3.79Å; S430-Y488 VanDerWaalsContact CA-OH 3.32Å; S430-Y488 WeakPolarHBondContact CA-OH 3.4Å; S430-Y488 WeakPolarHBondContact CB-OH 3.34Å; R446-Y488 HydrophobicContact CG-CE1 3.96Å; R484-Y488 PolarHBondContact O-N 2.95Å; P485-Y488 PolarHBondContact O-N 2.83Å; Y488-F491 WeakPolarHBondContact O-CB 3.23Å; Y488-F491 PolarHBondContact O-N 2.95Å; Y488-E492 HydrophobicContact CD1-CG 4.31Å; Y488-E492 HydrophobicContact CE1-CG 3.71Å; Y488-E492 WeakPolarHBondContact CE1-OE1 3.3Å; Y488-E492 WeakPolarHBondContact CE1-OE2 3.45Å; Y488-E492 HydrophobicContact CE2-CG 4.42Å; Y488-E492 VanDerWaalsContact CZ-CD 3.48Å; Y488-E492 PolarHBondContact O-N 2.86Å; Y488-E492 PolarHBondContact OH-OE1 2.81Å
489	S	82.6	Confident	82.1	Confident	64 Å²	64	62.2 Å²	62.2	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176.2	172.2	0	0	0	0	111.9	P485 F491 E492 S493	P485-S489 VanDerWaalsContact O-CB 3.23Å; P485-S489 WeakPolarHBondContact O-CB 3.05Å; P485-S489 PolarHBondContact O-N 2.95Å; S489-F491 VanDerWaalsContact C-N 3.31Å; S489-F491 PolarHBondContact O-N 3.49Å; S489-E492 PolarHBondContact O-N 3Å; S489-S493 PolarHBondContact O-N 2.73Å; S489-S493 PolarHBondContact O-OG 3.02Å
490	R	83.8	Confident	80.2	Confident	178 Å²	178	66.5 Å²	66.5	67%	0.672	31%	0.314	S	S	*	.	H	α-helix	trans	-64.4	-36.1	173.5	-68.6	175.1	-144	166.2	5.5	112.4	E486 E487 K494	E486-R490 VanDerWaalsContact O-CG 3.3Å; E486-R490 WeakPolarHBondContact O-CG 3.35Å; E486-R490 PolarHBondContact O-NE 2.81Å; E487-R490 PolarHBondContact O-N 3.33Å; R490-K494 VanDerWaalsContact O-CB 3.32Å; R490-K494 WeakPolarHBondContact O-CB 3.29Å; R490-K494 PolarHBondContact O-N 2.81Å
491	F	82.7	Confident	78.2	Confident	22 Å²	22	70.4 Å²	70.4	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-45.4	173	171.5	-94.7	0	0	0	111.4	V419 E425 E487 Y488 S489 S493 K494 I495	V419-F491 HydrophobicContact CB-CE1 3.92Å; V419-F491 HydrophobicContact CB-CZ 4.2Å; V419-F491 HydrophobicContact CG2-CD1 4.25Å; V419-F491 HydrophobicContact CG2-CE1 3.53Å; V419-F491 HydrophobicContact CG2-CZ 4.23Å; E425-F491 WeakPolarHBondContact OE2-CD2 3.07Å; E487-F491 PolarHBondContact O-N 2.65Å; Y488-F491 WeakPolarHBondContact O-CB 3.23Å; Y488-F491 PolarHBondContact O-N 2.95Å; S489-F491 VanDerWaalsContact C-N 3.31Å; S489-F491 PolarHBondContact O-N 3.49Å; F491-S493 PolarHBondContact O-N 3.41Å; F491-K494 PolarHBondContact O-N 2.82Å; F491-I495 HydrophobicContact CD1-CG1 4.4Å; F491-I495 HydrophobicContact CD2-CG1 4.2Å; F491-I495 HydrophobicContact CE1-CG1 3.98Å; F491-I495 HydrophobicContact CE2-CD1 4.08Å; F491-I495 HydrophobicContact CE2-CG1 3.77Å; F491-I495 HydrophobicContact CG-CG1 4.49Å; F491-I495 HydrophobicContact CZ-CD1 4.1Å; F491-I495 HydrophobicContact CZ-CG1 3.65Å; F491-I495 WeakPolarHBondContact O-CB 3.4Å; F491-I495 VanDerWaalsContact O-CG1 3.27Å; F491-I495 WeakPolarHBondContact O-CG1 3.49Å; F491-I495 PolarHBondContact O-N 2.89Å
492	E	80.4	Confident	75.9	Confident	73 Å²	73	76.9 Å²	76.9	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-41.2	175.1	-73.6	-166.4	146.4	0	0	112.3	R446 Y488 S489 I495 H496	R446-E492 IonicContact CZ-OE1 2.74Å; R446-E492 IonicContact CZ-OE2 3.73Å; R446-E492 IonicContact NE-OE1 3.28Å; R446-E492 VanDerWaalsContact NH2-CD 3.27Å; R446-E492 IonicContact NH2-OE1 3.12Å; R446-E492 PolarHBondContact NH2-OE1 2.89Å; R446-E492 IonicContact NH2-OE2 2.63Å; R446-E492 PolarHBondContact NH2-OE2 2.84Å; Y488-E492 HydrophobicContact CD1-CG 4.31Å; Y488-E492 HydrophobicContact CE1-CG 3.71Å; Y488-E492 WeakPolarHBondContact CE1-OE1 3.3Å; Y488-E492 WeakPolarHBondContact CE1-OE2 3.45Å; Y488-E492 HydrophobicContact CE2-CG 4.42Å; Y488-E492 VanDerWaalsContact CZ-CD 3.48Å; Y488-E492 PolarHBondContact O-N 2.86Å; Y488-E492 PolarHBondContact OH-OE1 2.81Å; S489-E492 PolarHBondContact O-N 3Å; E492-I495 PolarHBondContact O-N 3.21Å; E492-H496 WeakPolarHBondContact O-CB 3.49Å; E492-H496 PolarHBondContact O-N 2.85Å
493	S	76	Confident	73.7	Confident	61 Å²	61	81.3 Å²	81.3	43%	0.427	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-50.7	171.7	-64.4	0	0	0	0	112	S489 F491 I495 H496 D497	S489-S493 PolarHBondContact O-N 2.73Å; S489-S493 PolarHBondContact O-OG 3.02Å; F491-S493 PolarHBondContact O-N 3.41Å; S493-I495 VanDerWaalsContact C-N 3.27Å; S493-I495 PolarHBondContact O-N 2.97Å; S493-H496 CarbonylContact O-C 3.54Å; S493-H496 WeakPolarHBondContact O-CA 3.39Å; S493-H496 WeakPolarHBondContact O-CB 3.13Å; S493-H496 PolarHBondContact O-N 3.17Å; S493-D497 WeakPolarHBondContact O-CB 3.34Å; S493-D497 PolarHBondContact O-N 3.08Å
494	K	77.8	Confident	71.4	Confident	79 Å²	79	84.2 Å²	84.2	34%	0.343	40%	0.402	S	S	.	.	H	α-helix	trans	-58	-39.7	177.8	-176.4	-165.9	170.2	-157.8	0	112	E425 R490 F491 L498	E425-K494 VanDerWaalsContact OE1-CD 3.23Å; E425-K494 WeakPolarHBondContact OE1-CD 3.45Å; E425-K494 IonicContact OE1-NZ 2.76Å; E425-K494 PolarHBondContact OE1-NZ 2.84Å; E425-K494 IonicContact OE2-NZ 3Å; E425-K494 PolarHBondContact OE2-NZ 2.97Å; R490-K494 VanDerWaalsContact O-CB 3.32Å; R490-K494 WeakPolarHBondContact O-CB 3.29Å; R490-K494 PolarHBondContact O-N 2.81Å; F491-K494 PolarHBondContact O-N 2.82Å; K494-L498 WeakPolarHBondContact O-CB 3.37Å; K494-L498 PolarHBondContact O-N 3.35Å
495	I	72.6	Confident	68.8	Low	37 Å²	37	85 Å²	85	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-71.1	-33	175.9	-68.8	-66.9	0	0	0	111.6	F491 E492 S493 R499	F491-I495 HydrophobicContact CD1-CG1 4.4Å; F491-I495 HydrophobicContact CD2-CG1 4.2Å; F491-I495 HydrophobicContact CE1-CG1 3.98Å; F491-I495 HydrophobicContact CE2-CD1 4.08Å; F491-I495 HydrophobicContact CE2-CG1 3.77Å; F491-I495 HydrophobicContact CG-CG1 4.49Å; F491-I495 HydrophobicContact CZ-CD1 4.1Å; F491-I495 HydrophobicContact CZ-CG1 3.65Å; F491-I495 WeakPolarHBondContact O-CB 3.4Å; F491-I495 VanDerWaalsContact O-CG1 3.27Å; F491-I495 WeakPolarHBondContact O-CG1 3.49Å; F491-I495 PolarHBondContact O-N 2.89Å; E492-I495 PolarHBondContact O-N 3.21Å; S493-I495 VanDerWaalsContact C-N 3.27Å; S493-I495 PolarHBondContact O-N 2.97Å; I495-R499 VanDerWaalsContact O-CB 3.29Å; I495-R499 WeakPolarHBondContact O-CB 3.44Å; I495-R499 VanDerWaalsContact O-CD 3.3Å; I495-R499 WeakPolarHBondContact O-CD 3.23Å; I495-R499 WeakPolarHBondContact O-CG 3.42Å; I495-R499 PolarHBondContact O-N 2.84Å
496	H	72.2	Confident	66.4	Low	113 Å²	113	86.9 Å²	86.9	52%	0.523	43%	0.434	S	S	.	.	H	α-helix	trans	-64.5	-54.6	170.4	-171.3	-77.6	0	0	0	110.7	E492 S493 L498 R499 E500	E492-H496 WeakPolarHBondContact O-CB 3.49Å; E492-H496 PolarHBondContact O-N 2.85Å; S493-H496 CarbonylContact O-C 3.54Å; S493-H496 WeakPolarHBondContact O-CA 3.39Å; S493-H496 WeakPolarHBondContact O-CB 3.13Å; S493-H496 PolarHBondContact O-N 3.17Å; H496-L498 VanDerWaalsContact C-N 3.31Å; H496-L498 PolarHBondContact O-N 2.78Å; H496-R499 WeakPolarHBondContact O-CB 3.26Å; H496-R499 PolarHBondContact O-N 2.65Å; H496-R499 VanDerWaalsContact O-N 3.11Å; H496-E500 IonicContact CE1-OE2 2.66Å; H496-E500 PolarHBondContact CE1-OE2 2.97Å; H496-E500 IonicContact ND1-OE2 3.75Å; H496-E500 PolarHBondContact ND1-OE2 2.8Å; H496-E500 WeakPolarHBondContact O-CB 3.3Å; H496-E500 PolarHBondContact O-N 2.99Å
497	D	70.4	Confident	64.2	Low	79 Å²	79	90.4 Å²	90.4	42%	0.422	45%	0.452	S	S	.	.	H	α-helix	trans	-59.2	-40.1	-179.9	-59.6	-15.3	0	0	0	111.7	S493 E500 Q501	S493-D497 WeakPolarHBondContact O-CB 3.34Å; S493-D497 PolarHBondContact O-N 3.08Å; D497-E500 PolarHBondContact O-N 3.46Å; D497-Q501 VanDerWaalsContact O-CB 3.3Å; D497-Q501 WeakPolarHBondContact O-CB 3.13Å; D497-Q501 WeakPolarHBondContact O-CG 3.39Å; D497-Q501 PolarHBondContact O-N 3.23Å
498	L	65.9	Low	61.5	Low	81 Å²	81	93.5 Å²	93.5	42%	0.424	48%	0.479	S	S	.	.	H	α-helix	trans	-70.3	-39.1	176.5	-171.8	67.2	0	0	0	111.8	K494 H496 E500 Q501 M502	K494-L498 WeakPolarHBondContact O-CB 3.37Å; K494-L498 PolarHBondContact O-N 3.35Å; H496-L498 VanDerWaalsContact C-N 3.31Å; H496-L498 PolarHBondContact O-N 2.78Å; L498-E500 VanDerWaalsContact C-N 3.34Å; L498-Q501 PolarHBondContact O-N 3.18Å; L498-M502 WeakPolarHBondContact O-CB 3.43Å; L498-M502 VanDerWaalsContact O-CG 3.27Å; L498-M502 WeakPolarHBondContact O-CG 3.34Å; L498-M502 PolarHBondContact O-N 2.74Å
499	R	60.3	Low	58.8	Low	162 Å²	162	98.1 Å²	98.1	61%	0.611	51%	0.514	S	S	*	.	H	α-helix	trans	-63.5	-41.1	172.2	-77	168.2	-179.5	172.8	2.5	111.3	I495 H496 M502 M503	I495-R499 VanDerWaalsContact O-CB 3.29Å; I495-R499 WeakPolarHBondContact O-CB 3.44Å; I495-R499 VanDerWaalsContact O-CD 3.3Å; I495-R499 WeakPolarHBondContact O-CD 3.23Å; I495-R499 WeakPolarHBondContact O-CG 3.42Å; I495-R499 PolarHBondContact O-N 2.84Å; H496-R499 WeakPolarHBondContact O-CB 3.26Å; H496-R499 PolarHBondContact O-N 2.65Å; H496-R499 VanDerWaalsContact O-N 3.11Å; R499-M502 PolarHBondContact O-N 2.97Å; R499-M503 HydrophobicContact CB-CE 4.02Å; R499-M503 WeakPolarHBondContact O-CB 3.39Å; R499-M503 VanDerWaalsContact O-CE 3.31Å; R499-M503 WeakPolarHBondContact O-CE 3.35Å; R499-M503 WeakPolarHBondContact O-CG 3.23Å; R499-M503 PolarHBondContact O-N 3.48Å
500	E	54.8	Low	56.6	Low	90 Å²	90	99.4 Å²	99.4	42%	0.421	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-41.7	177.4	-171.6	164.8	178.2	0	0	111.3	H496 D497 L498 M503 N504	H496-E500 IonicContact CE1-OE2 2.66Å; H496-E500 PolarHBondContact CE1-OE2 2.97Å; H496-E500 IonicContact ND1-OE2 3.75Å; H496-E500 PolarHBondContact ND1-OE2 2.8Å; H496-E500 WeakPolarHBondContact O-CB 3.3Å; H496-E500 PolarHBondContact O-N 2.99Å; D497-E500 PolarHBondContact O-N 3.46Å; L498-E500 VanDerWaalsContact C-N 3.34Å; E500-M503 PolarHBondContact O-N 2.78Å; E500-N504 WeakPolarHBondContact O-CB 3.31Å; E500-N504 PolarHBondContact O-N 3.37Å; E500-N504 PolarHBondContact O-ND2 2.94Å
501	Q	52.8	Low	54.6	Low	117 Å²	117	96.2 Å²	96.2	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-63.8	-38.8	171.2	-74.8	172.6	31.8	0	0	112.5	D497 L498 N504 S505	D497-Q501 VanDerWaalsContact O-CB 3.3Å; D497-Q501 WeakPolarHBondContact O-CB 3.13Å; D497-Q501 WeakPolarHBondContact O-CG 3.39Å; D497-Q501 PolarHBondContact O-N 3.23Å; L498-Q501 PolarHBondContact O-N 3.18Å; Q501-N504 PolarHBondContact O-N 3.04Å; Q501-S505 WeakPolarHBondContact O-CB 3.44Å; Q501-S505 PolarHBondContact O-N 3.09Å; Q501-S505 PolarHBondContact O-OG 2.98Å
502	M	47.2	Very low	52.2	Low	135 Å²	135	98 Å²	98	67%	0.665	57%	0.567	S	S	*	*	H	α-helix	trans	-69.4	-33.7	174.1	-71.9	-178.6	80.9	0	0	112.4	L498 R499	L498-M502 WeakPolarHBondContact O-CB 3.43Å; L498-M502 VanDerWaalsContact O-CG 3.27Å; L498-M502 WeakPolarHBondContact O-CG 3.34Å; L498-M502 PolarHBondContact O-N 2.74Å; R499-M502 PolarHBondContact O-N 2.97Å
503	M	46.9	Very low	50.2	Low	123 Å²	123	98.7 Å²	98.7	61%	0.606	58%	0.58	S	S	*	*	H	α-helix	trans	-68.5	-38.1	171.8	-77	-176.2	-85	0	0	111.8	R499 E500 S506	R499-M503 HydrophobicContact CB-CE 4.02Å; R499-M503 WeakPolarHBondContact O-CB 3.39Å; R499-M503 VanDerWaalsContact O-CE 3.31Å; R499-M503 WeakPolarHBondContact O-CE 3.35Å; R499-M503 WeakPolarHBondContact O-CG 3.23Å; R499-M503 PolarHBondContact O-N 3.48Å; E500-M503 PolarHBondContact O-N 2.78Å; M503-S506 PolarHBondContact O-OG 3.03Å
504	N	44	Very low	48.7	Very low	100 Å²	100	97.8 Å²	97.8	54%	0.535	57%	0.57	S	S	.	*	H	α-helix	trans	-79.8	-36.7	179.7	-68.1	-25.3	0	0	0	113.4	E500 Q501 S506 M507	E500-N504 WeakPolarHBondContact O-CB 3.31Å; E500-N504 PolarHBondContact O-N 3.37Å; E500-N504 PolarHBondContact O-ND2 2.94Å; Q501-N504 PolarHBondContact O-N 3.04Å; N504-S506 PolarHBondContact O-N 3.48Å; N504-S506 VanDerWaalsContact O-N 3.17Å; N504-M507 WeakPolarHBondContact O-CB 3.17Å; N504-M507 PolarHBondContact O-N 2.86Å
505	S	33.8	Very low	47.1	Very low	99 Å²	99	104.4 Å²	104.4	69%	0.692	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-9.5	-177.6	-59.8	0	0	0	0	114.4	Q501 M507	Q501-S505 WeakPolarHBondContact O-CB 3.44Å; Q501-S505 PolarHBondContact O-N 3.09Å; Q501-S505 PolarHBondContact O-OG 2.98Å; S505-M507 VanDerWaalsContact C-N 3.29Å
506	S	33.8	Very low	45.7	Very low	75 Å²	75	104.3 Å²	104.3	52%	0.524	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-5.6	173.4	56.2	0	0	0	0	113.5	M503 N504 S508	M503-S506 PolarHBondContact O-OG 3.03Å; N504-S506 PolarHBondContact O-N 3.48Å; N504-S506 VanDerWaalsContact O-N 3.17Å; S506-S508 PolarHBondContact O-N 3.09Å
507	M	37.6	Very low	44.4	Very low	148 Å²	148	102.3 Å²	102.3	73%	0.729	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	42	177.7	-64.6	-64	168.7	0	0	114.3	N504 S505	N504-M507 WeakPolarHBondContact O-CB 3.17Å; N504-M507 PolarHBondContact O-N 2.86Å; S505-M507 VanDerWaalsContact C-N 3.29Å
508	S	28.8	Very low	42.9	Very low	113 Å²	113	108.2 Å²	108.2	79%	0.79	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.2	25.9	169.1	-79.9	0	0	0	0	114.2	S506	S506-S508 PolarHBondContact O-N 3.09Å
509	S	31.5	Very low	41.9	Very low	112 Å²	112	113.7 Å²	113.7	78%	0.783	64%	0.638	S	S	*	*	S	Bend	trans	-157.6	126.8	154.3	-82.1	0	0	0	0	109.5	S511	S509-S511 PolarHBondContact O-N 2.68Å
510	G	36	Very low	41.9	Very low	90 Å²	90	114.7 Å²	114.7	93%	0.928	64%	0.642	S	S	*	*	S	Bend	trans	-73.4	113.4	-162.2	0	0	0	0	0	115.4
511	S	40.8	Very low	43	Very low	112 Å²	112	113.7 Å²	113.7	78%	0.783	64%	0.644	S	S	*	*			trans	-167.7	60.2	156.7	-179.5	0	0	0	0	111.3	S509 S513	S509-S511 PolarHBondContact O-N 2.68Å; S511-S513 PolarHBondContact O-N 2.88Å
512	G	33.8	Very low	44.9	Very low	60 Å²	60	108.7 Å²	108.7	62%	0.619	62%	0.622	S	S	*	*			trans	-76.9	114	179.4	0	0	0	0	0	112.7
513	S	37	Very low	47.1	Very low	87 Å²	87	104.7 Å²	104.7	61%	0.608	60%	0.599	S	S	*	*			trans	-74.7	124.5	172.1	171.8	0	0	0	0	110.3	S511 R515	S511-S513 PolarHBondContact O-N 2.88Å; S513-R515 PolarHBondContact O-N 2.89Å
514	L	44.4	Very low	49.4	Very low	42 Å²	42	98.9 Å²	98.9	22%	0.22	57%	0.571	C	S	.	*			trans	-73.9	97.3	176	-74	84.7	0	0	0	109.8	T516 L522 A556 L867	L514-T516 PolarHBondContact O-N 3.46Å; L514-L522 HydrophobicContact CB-CD2 4.31Å; L514-L522 HydrophobicContact CD2-CD1 3.85Å; L514-L522 HydrophobicContact CD2-CD2 3.65Å; L514-L522 HydrophobicContact CD2-CG 4.4Å; L514-A556 WeakPolarHBondContact O-CB 3.47Å; L514-L867 HydrophobicContact CD2-CD2 3.65Å
515	R	43.7	Very low	51.9	Low	217 Å²	217	95 Å²	95	82%	0.819	55%	0.549	S	S	*	.			trans	-81.7	103.2	164.5	-71.1	-175.6	171.1	-170.3	-4.3	108.7	S513	S513-R515 PolarHBondContact O-N 2.89Å
516	T	45	Very low	55	Low	36 Å²	36	90.3 Å²	90.3	22%	0.221	52%	0.516	C	S	.	.			trans	-57.2	139.3	162.8	46.7	0	0	0	0	109	L514 L522 V553 I554	L514-T516 PolarHBondContact O-N 3.46Å; T516-L522 HydrophobicContact CG2-CB 3.78Å; T516-L522 HydrophobicContact CG2-CD2 4.33Å; T516-V553 WeakPolarHBondContact CG2-O 3.45Å; T516-I554 WeakPolarHBondContact CB-O 3.48Å; T516-I554 PolarHBondContact OG1-O 3Å
517	S	43.1	Very low	57.9	Low	71 Å²	71	87.4 Å²	87.4	50%	0.497	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-141.1	154.5	-178.8	175.7	0	0	0	0	107.3	K519 R520	S517-K519 PolarHBondContact O-N 3.3Å; S517-R520 CarbonylContact O-C 3.53Å; S517-R520 VanDerWaalsContact O-C 3.27Å; S517-R520 PolarHBondContact O-N 3.03Å; S517-R520 VanDerWaalsContact O-O 3.09Å
518	E	40.2	Very low	60.6	Low	202 Å²	202	82.2 Å²	82.2	94%	0.944	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.5	176.4	-62.1	173.8	152.2	0	0	112.9
519	K	43.5	Very low	63.7	Low	196 Å²	196	82 Å²	82	85%	0.852	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.3	173.6	-63.3	-172.6	177.2	-176.7	0	115.2	S517	S517-K519 PolarHBondContact O-N 3.3Å
520	R	61.7	Low	66.7	Low	184 Å²	184	77.4 Å²	77.4	69%	0.694	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-149.9	95.8	176.3	-70.5	-168.3	-177.6	163.8	1.4	111.6	S517	S517-R520 CarbonylContact O-C 3.53Å; S517-R520 VanDerWaalsContact O-C 3.27Å; S517-R520 PolarHBondContact O-N 3.03Å; S517-R520 VanDerWaalsContact O-O 3.09Å
521	S	78.3	Confident	69.3	Low	68 Å²	68	76.1 Å²	76.1	48%	0.476	40%	0.395	S	S	.	.			trans	-68.5	137.4	166.3	-60.2	0	0	0	0	111.1	H552	S521-H552 WeakPolarHBondContact CB-NE2 3.48Å
522	L	90.9	Very high	71.6	Confident	13 Å²	13	76.1 Å²	76.1	7%	0.068	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.3	177.9	178.6	60.9	0	0	0	110.2	L514 T516 V524 V553 L867	L514-L522 HydrophobicContact CB-CD2 4.31Å; L514-L522 HydrophobicContact CD2-CD1 3.85Å; L514-L522 HydrophobicContact CD2-CD2 3.65Å; L514-L522 HydrophobicContact CD2-CG 4.4Å; T516-L522 HydrophobicContact CG2-CB 3.78Å; T516-L522 HydrophobicContact CG2-CD2 4.33Å; L522-V524 HydrophobicContact CD1-CG1 4.38Å; L522-V524 HydrophobicContact CG-CG1 4.26Å; L522-V553 HydrophobicContact CB-CB 4.24Å; L522-V553 HydrophobicContact CD2-CB 3.98Å; L522-V553 HydrophobicContact CD2-CG1 4.17Å; L522-V553 HydrophobicContact CD2-CG2 4.44Å; L522-V553 HydrophobicContact CG-CB 4.1Å; L522-V553 HydrophobicContact CG-CG2 4.49Å; L522-V553 PolarHBondContact O-N 3.43Å; L522-L867 HydrophobicContact CD1-CD2 3.85Å; L522-L867 HydrophobicContact CD2-CD2 4.04Å; L522-L867 HydrophobicContact CG-CD2 4.4Å
523	Y	94.6	Very high	74.1	Confident	51 Å²	51	78.6 Å²	78.6	20%	0.2	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.8	173.4	-61.7	-87.8	0	0	0	110.2	L551 H552 V567 E572 V669 W860	Y523-L551 WeakPolarHBondContact CA-O 3.22Å; Y523-H552 HydrophobicContact CD1-CB 3.85Å; Y523-H552 HydrophobicContact CE1-CB 3.63Å; Y523-H552 AromaticContact CE1-CG 3.64Å; Y523-H552 AromaticContact CE1-ND1 3.62Å; Y523-H552 AromaticContact CZ-CE1 3.95Å; Y523-H552 AromaticContact CZ-ND1 3.68Å; Y523-H552 PolarHBondContact OH-ND1 2.92Å; Y523-V567 HydrophobicContact CD1-CG2 4.13Å; Y523-V567 HydrophobicContact CE1-CG2 4.08Å; Y523-E572 WeakPolarHBondContact CE1-OE1 3.21Å; Y523-E572 PolarHBondContact OH-OE1 3.41Å; Y523-E572 VanDerWaalsContact OH-OE1 3.13Å; Y523-V669 PolarHBondContact O-N 2.69Å; Y523-W860 AromaticContact CD1-CH2 3.48Å; Y523-W860 HydrophobicContact CD1-CH2 3.48Å; Y523-W860 VanDerWaalsContact CD1-CH2 3.48Å; Y523-W860 HydrophobicContact CD1-CZ2 4.42Å; Y523-W860 AromaticContact CD1-CZ3 3.8Å; Y523-W860 HydrophobicContact CD1-CZ3 3.8Å; Y523-W860 HydrophobicContact CD2-CH2 4.14Å; Y523-W860 AromaticContact CD2-CZ3 3.95Å; Y523-W860 HydrophobicContact CD2-CZ3 3.95Å; Y523-W860 AromaticContact CE1-CH2 3.77Å; Y523-W860 HydrophobicContact CE1-CH2 3.77Å; Y523-W860 HydrophobicContact CE1-CZ3 4.45Å; Y523-W860 HydrophobicContact CE2-CH2 4.39Å; Y523-W860 AromaticContact CG-CH2 3.69Å; Y523-W860 HydrophobicContact CG-CH2 3.69Å; Y523-W860 AromaticContact CG-CZ3 3.51Å; Y523-W860 HydrophobicContact CG-CZ3 3.51Å
524	V	96	Very high	76.4	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.9	177	-53.2	0	0	0	0	111.4	L522 I550 L551 V553 Y666 E667 L867	L522-V524 HydrophobicContact CD1-CG1 4.38Å; L522-V524 HydrophobicContact CG-CG1 4.26Å; V524-I550 CarbonylContact O-C 3.37Å; V524-I550 WeakPolarHBondContact O-CA 3.26Å; V524-L551 HydrophobicContact CG2-CB 3.94Å; V524-L551 HydrophobicContact CG2-CD1 4.45Å; V524-L551 PolarHBondContact N-O 2.81Å; V524-L551 PolarHBondContact O-N 2.66Å; V524-V553 HydrophobicContact CG1-CG2 4.13Å; V524-V553 HydrophobicContact CG2-CG2 3.82Å; V524-Y666 HydrophobicContact CG2-CD1 3.77Å; V524-Y666 HydrophobicContact CG2-CE1 4.47Å; V524-Y666 HydrophobicContact CG2-CG 4.22Å; V524-E667 CarbonylContact C-O 3.51Å; V524-E667 WeakPolarHBondContact CA-O 3.42Å; V524-E667 WeakPolarHBondContact CB-O 3.37Å; V524-L867 HydrophobicContact CB-CD1 4.41Å; V524-L867 HydrophobicContact CG1-CD1 3.69Å; V524-L867 HydrophobicContact CG1-CD2 3.85Å; V524-L867 HydrophobicContact CG1-CG 4.38Å
525	R	96.3	Very high	78.2	Confident	19 Å²	19	83.2 Å²	83.2	7%	0.072	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.6	164.3	172.5	178.4	-69.2	124.5	1.7	109.1	L527 D549 I550 Y666 E667 V669 W860	R525-L527 HydrophobicContact CG-CD2 4.16Å; R525-D549 CarbonylContact C-O 3.49Å; R525-D549 WeakPolarHBondContact CA-O 3.44Å; R525-I550 HydrophobicContact CB-CD1 3.87Å; R525-I550 HydrophobicContact CG-CD1 4.29Å; R525-Y666 WeakPolarHBondContact O-CA 3.37Å; R525-E667 HydrophobicContact CB-CB 4.35Å; R525-E667 IonicContact CZ-OE2 3.89Å; R525-E667 PolarHBondContact N-O 3.23Å; R525-E667 IonicContact NE-OE2 2.64Å; R525-E667 IonicContact NH1-OE2 3.14Å; R525-E667 PolarHBondContact NH1-OE2 3.41Å; R525-E667 PolarHBondContact O-N 3.05Å; R525-V669 HydrophobicContact CB-CG1 3.89Å; R525-W860 PolarHBondContact NH2-O 3.4Å
526	A	97	Very high	79.3	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.2	170.5	0	0	0	0	0	110.8	F545 G548 D549 L551	A526-F545 HydrophobicContact CB-CD2 3.43Å; A526-F545 VanDerWaalsContact CB-CD2 3.43Å; A526-F545 HydrophobicContact CB-CE2 3.55Å; A526-F545 HydrophobicContact CB-CG 4.48Å; A526-G548 PolarHBondContact O-N 3.28Å; A526-D549 PolarHBondContact N-O 3.35Å; A526-L551 HydrophobicContact CB-CD1 4.38Å
527	L	96.1	Very high	80.7	Confident	14 Å²	14	81.1 Å²	81.1	7%	0.073	40%	0.403	C	S	.	.	S	Bend	trans	-103.8	18	175.7	-58.1	178.7	0	0	0	112.6	R525 Y547 L664 S665 E667 E829	R525-L527 HydrophobicContact CG-CD2 4.16Å; L527-Y547 HydrophobicContact CB-CE2 4.22Å; L527-Y547 HydrophobicContact CD2-CE2 4.31Å; L527-Y547 VanDerWaalsContact O-CD2 3.25Å; L527-Y547 WeakPolarHBondContact O-CD2 3.3Å; L527-Y547 WeakPolarHBondContact O-CE2 3.38Å; L527-L664 HydrophobicContact CB-CB 3.95Å; L527-L664 HydrophobicContact CB-CD2 4.42Å; L527-L664 HydrophobicContact CD1-CD2 4.24Å; L527-L664 WeakPolarHBondContact O-CB 3.31Å; L527-S665 PolarHBondContact N-O 2.91Å; L527-E667 HydrophobicContact CD1-CB 4.17Å; L527-E667 HydrophobicContact CG-CB 4.42Å; L527-E829 HydrophobicContact CD1-CB 4.38Å
528	F	94.8	Very high	82.3	Confident	39 Å²	39	80 Å²	80	17%	0.171	39%	0.391	C	S	.	.	S	Bend	trans	-157.8	156.5	178.1	68.2	-75.3	0	0	0	110.6	F545 P580 V585 S665 Y666	F528-F545 HydrophobicContact CE1-CE2 4.13Å; F528-F545 HydrophobicContact CE1-CZ 4.25Å; F528-F545 HydrophobicContact CE2-CE2 4.07Å; F528-F545 AromaticContact CE2-CZ 3.99Å; F528-F545 HydrophobicContact CE2-CZ 3.99Å; F528-F545 AromaticContact CZ-CE2 3.84Å; F528-F545 HydrophobicContact CZ-CE2 3.84Å; F528-F545 AromaticContact CZ-CZ 3.62Å; F528-F545 HydrophobicContact CZ-CZ 3.62Å; F528-F545 WeakPolarHBondContact O-CE2 3.48Å; F528-P580 HydrophobicContact CE2-CG 4.47Å; F528-P580 HydrophobicContact CZ-CG 4.26Å; F528-V585 HydrophobicContact CD1-CG1 4.28Å; F528-V585 HydrophobicContact CE1-CG1 3.96Å; F528-V585 HydrophobicContact CE1-CG2 3.97Å; F528-V585 HydrophobicContact CE2-CG1 4.37Å; F528-V585 HydrophobicContact CE2-CG2 4.07Å; F528-V585 HydrophobicContact CZ-CB 4.38Å; F528-V585 HydrophobicContact CZ-CG1 4.02Å; F528-V585 HydrophobicContact CZ-CG2 3.43Å; F528-V585 VanDerWaalsContact CZ-CG2 3.43Å; F528-S665 WeakPolarHBondContact CD1-O 3.22Å; F528-S665 VanDerWaalsContact CE1-O 3.25Å; F528-S665 WeakPolarHBondContact CE1-O 3.37Å; F528-Y666 HydrophobicContact CE1-CD1 4.33Å; F528-Y666 AromaticContact CE1-CE1 3.88Å; F528-Y666 HydrophobicContact CE1-CE1 3.88Å; F528-Y666 HydrophobicContact CE1-CE2 4.16Å; F528-Y666 AromaticContact CE1-CZ 3.82Å; F528-Y666 HydrophobicContact CZ-CE1 4.21Å; F528-Y666 HydrophobicContact CZ-CE2 4.35Å; F528-Y666 AromaticContact CZ-CZ 3.84Å
529	D	93.9	Very high	83.4	Confident	109 Å²	109	74.2 Å²	74.2	58%	0.583	37%	0.371	S	S	*	.			trans	-80.6	132.9	172.3	-54.6	-67.1	0	0	0	111.7	S546 Y547	D529-S546 WeakPolarHBondContact OD1-CA 3.47Å; D529-S546 VanDerWaalsContact OD1-CB 3.31Å; D529-S546 WeakPolarHBondContact OD1-CB 3.41Å; D529-S546 PolarHBondContact OD1-OG 2.95Å; D529-Y547 PolarHBondContact OD1-N 2.87Å
530	Y	93.9	Very high	84.5	Confident	16 Å²	16	68.5 Å²	68.5	6%	0.063	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-122.6	113.5	173.5	-178.4	-112.3	0	0	0	111.8	R532 D535 L543 S544 F545 P580	Y530-R532 HydrophobicContact CE1-CB 4.3Å; Y530-D535 HydrophobicContact CE2-CB 4.27Å; Y530-L543 VanDerWaalsContact CD1-O 3.25Å; Y530-L543 WeakPolarHBondContact CD1-O 3.31Å; Y530-L543 WeakPolarHBondContact CE1-O 3.38Å; Y530-S544 CarbonylContact O-C 3.55Å; Y530-S544 WeakPolarHBondContact O-CA 3.36Å; Y530-S544 VanDerWaalsContact O-CB 3.28Å; Y530-S544 WeakPolarHBondContact O-CB 3.36Å; Y530-F545 VanDerWaalsContact CB-CE1 3.5Å; Y530-F545 HydrophobicContact CD1-CD1 4.09Å; Y530-F545 AromaticContact CD1-CE1 3.61Å; Y530-F545 HydrophobicContact CD1-CE1 3.61Å; Y530-F545 HydrophobicContact CD1-CZ 4.22Å; Y530-F545 AromaticContact CG-CE1 3.86Å; Y530-F545 HydrophobicContact CG-CE1 3.86Å; Y530-F545 AromaticContact CG-CZ 3.99Å; Y530-F545 HydrophobicContact CG-CZ 3.99Å; Y530-F545 PolarHBondContact N-O 2.74Å; Y530-F545 PolarHBondContact O-N 3.28Å; Y530-P580 HydrophobicContact CD1-CG 4.49Å; Y530-P580 HydrophobicContact CD2-CG 3.87Å; Y530-P580 HydrophobicContact CE2-CG 3.92Å; Y530-P580 HydrophobicContact CG-CG 4.18Å
531	D	91.1	Very high	85.4	Confident	62 Å²	62	66.9 Å²	66.9	33%	0.332	36%	0.356	S	S	.	.			trans	-105	112.3	170.7	171	11.5	0	0	0	110	T533 R534	D531-T533 PolarHBondContact O-N 2.78Å; D531-T533 VanDerWaalsContact O-N 3.15Å; D531-T533 WeakPolarHBondContact OD1-CB 3.49Å; D531-T533 WeakPolarHBondContact OD1-CG2 3.45Å; D531-T533 PolarHBondContact OD1-N 2.91Å; D531-T533 PolarHBondContact OD1-OG1 3.18Å; D531-T533 PolarHBondContact OD2-OG1 3.22Å; D531-R534 HydrophobicContact CB-CG 4.32Å; D531-R534 PolarHBondContact O-N 3.27Å; D531-R534 VanDerWaalsContact O-N 3.09Å; D531-R534 VanDerWaalsContact OD2-CD 3.28Å; D531-R534 WeakPolarHBondContact OD2-CD 3.49Å; D531-R534 WeakPolarHBondContact OD2-CG 3.4Å
532	R	88.2	Confident	85.8	Confident	112 Å²	112	63.9 Å²	63.9	42%	0.423	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55	-28.2	178	74.3	-170.9	-177.2	172.8	-0.6	114.1	Y530 R534 D535 L538 G542 S544	Y530-R532 HydrophobicContact CE1-CB 4.3Å; R532-R534 PolarHBondContact O-N 2.86Å; R532-D535 PolarHBondContact O-N 2.95Å; R532-L538 HydrophobicContact CB-CD2 4.28Å; R532-G542 WeakPolarHBondContact CD-O 3.04Å; R532-G542 PolarHBondContact NH1-O 2.74Å; R532-S544 WeakPolarHBondContact CG-OG 3.25Å; R532-S544 PolarHBondContact N-OG 3.12Å; R532-S544 VanDerWaalsContact N-OG 3.1Å
533	T	86.9	Confident	85.9	Confident	113 Å²	113	63.7 Å²	63.7	69%	0.693	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15.3	-178.2	73.2	0	0	0	0	112.6	D531	D531-T533 PolarHBondContact O-N 2.78Å; D531-T533 VanDerWaalsContact O-N 3.15Å; D531-T533 WeakPolarHBondContact OD1-CB 3.49Å; D531-T533 WeakPolarHBondContact OD1-CG2 3.45Å; D531-T533 PolarHBondContact OD1-N 2.91Å; D531-T533 PolarHBondContact OD1-OG1 3.18Å; D531-T533 PolarHBondContact OD2-OG1 3.22Å
534	R	85.3	Confident	85.9	Confident	210 Å²	210	63.5 Å²	63.5	79%	0.792	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-99.7	-2	-177.3	-60.9	173.7	68.5	-162.1	1	114	D531 R532	D531-R534 HydrophobicContact CB-CG 4.32Å; D531-R534 PolarHBondContact O-N 3.27Å; D531-R534 VanDerWaalsContact O-N 3.09Å; D531-R534 VanDerWaalsContact OD2-CD 3.28Å; D531-R534 WeakPolarHBondContact OD2-CD 3.49Å; D531-R534 WeakPolarHBondContact OD2-CG 3.4Å; R532-R534 PolarHBondContact O-N 2.86Å
535	D	80.6	Confident	85.9	Confident	15 Å²	15	64 Å²	64	8%	0.08	34%	0.343	C	S	.	.			trans	-112.6	94.8	174	-159	-38.2	0	0	0	111.1	Y530 R532 C537 L538 R584 K588	Y530-D535 HydrophobicContact CE2-CB 4.27Å; R532-D535 PolarHBondContact O-N 2.95Å; D535-C537 PolarHBondContact O-N 2.82Å; D535-C537 VanDerWaalsContact O-N 3.07Å; D535-C537 WeakPolarHBondContact OD1-CB 3.5Å; D535-C537 PolarHBondContact OD1-N 3.46Å; D535-C537 VanDerWaalsContact OD1-N 3.09Å; D535-L538 WeakPolarHBondContact O-CB 3.34Å; D535-L538 PolarHBondContact O-N 3.13Å; D535-R584 VanDerWaalsContact CG-NH2 3.33Å; D535-R584 IonicContact OD1-NH2 2.64Å; D535-R584 PolarHBondContact OD1-NH2 3.43Å; D535-R584 IonicContact OD2-CZ 2.7Å; D535-R584 IonicContact OD2-NE 3.85Å; D535-R584 IonicContact OD2-NH2 3.77Å; D535-R584 PolarHBondContact OD2-NH2 3.02Å; D535-K588 IonicContact OD2-NZ 3.89Å
536	S	67.7	Low	85.8	Confident	125 Å²	125	66 Å²	66	87%	0.874	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-0	179.6	60.9	0	0	0	0	114.7
537	C	73.8	Confident	85.8	Confident	84 Å²	84	67 Å²	67	57%	0.568	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	9.7	178	-60.9	0	0	0	0	112.8	D535 W561	D535-C537 PolarHBondContact O-N 2.82Å; D535-C537 VanDerWaalsContact O-N 3.07Å; D535-C537 WeakPolarHBondContact OD1-CB 3.5Å; D535-C537 PolarHBondContact OD1-N 3.46Å; D535-C537 VanDerWaalsContact OD1-N 3.09Å; C537-W561 WeakPolarHBondContact O-CZ2 3.48Å
538	L	76.8	Confident	85.7	Confident	47 Å²	47	67 Å²	67	25%	0.246	37%	0.366	C	S	.	.			trans	-63.4	126.2	177.8	179.3	75.2	0	0	0	111.5	R532 D535 W561 V578	R532-L538 HydrophobicContact CB-CD2 4.28Å; D535-L538 WeakPolarHBondContact O-CB 3.34Å; D535-L538 PolarHBondContact O-N 3.13Å; L538-W561 HydrophobicContact CB-CH2 4.33Å; L538-W561 HydrophobicContact CD1-CE3 4.49Å; L538-W561 HydrophobicContact CD1-CH2 4.01Å; L538-W561 HydrophobicContact CD1-CZ3 3.88Å; L538-V578 HydrophobicContact CD1-CB 4.46Å; L538-V578 HydrophobicContact CD1-CG1 4.48Å
539	P	63.7	Low	85.8	Confident	82 Å²	82	67.5 Å²	67.5	53%	0.532	37%	0.371	S	S	.	.			trans	-70.3	-35.8	-174.7	25.6	-34	0	0	0	113.7	W561 V578	P539-W561 HydrophobicContact CG-CD2 4.37Å; P539-W561 HydrophobicContact CG-CG 4.21Å; P539-V578 HydrophobicContact CG-CG1 4.24Å
540	S	67.4	Low	85.9	Confident	75 Å²	75	62.9 Å²	62.9	52%	0.524	35%	0.346	S	S	.	.	S	Bend	trans	171.2	178.2	161.8	47.1	0	0	0	0	108.7	G542 V578	S540-G542 VanDerWaalsContact C-N 3.29Å; S540-G542 PolarHBondContact O-N 2.88Å; S540-V578 WeakPolarHBondContact O-CG2 3.49Å
541	Q	80.6	Confident	86	Confident	151 Å²	151	62.1 Å²	62.1	71%	0.706	34%	0.343	S	S	*	.			trans	47.4	40.7	171.5	-65.4	-173.9	-26.2	0	0	115.8	L543 G577 V578	Q541-L543 PolarHBondContact O-N 2.67Å; Q541-G577 CarbonylContact O-C 3.59Å; Q541-G577 WeakPolarHBondContact O-CA 3.22Å; Q541-V578 PolarHBondContact O-N 2.89Å
542	G	86	Confident	86.2	Confident	4 Å²	4	60 Å²	60	4%	0.041	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-61.5	137.9	179.3	0	0	0	0	0	112.9	R532 S540 V578	R532-G542 WeakPolarHBondContact CD-O 3.04Å; R532-G542 PolarHBondContact NH1-O 2.74Å; S540-G542 VanDerWaalsContact C-N 3.29Å; S540-G542 PolarHBondContact O-N 2.88Å; G542-V578 WeakPolarHBondContact CA-O 3.42Å
543	L	92.9	Very high	86.5	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-99.7	120.1	171.5	178.2	65.7	0	0	0	108.2	Y530 Q541 L551 V578 I579	Y530-L543 VanDerWaalsContact CD1-O 3.25Å; Y530-L543 WeakPolarHBondContact CD1-O 3.31Å; Y530-L543 WeakPolarHBondContact CE1-O 3.38Å; Q541-L543 PolarHBondContact O-N 2.67Å; L543-L551 HydrophobicContact CD2-CD2 4.32Å; L543-V578 PolarHBondContact N-O 2.89Å; L543-I579 HydrophobicContact CB-CG2 3.92Å; L543-I579 HydrophobicContact CD2-CG2 4.07Å; L543-I579 HydrophobicContact CG-CG2 4.31Å
544	S	94.6	Very high	86.6	Confident	47 Å²	47	52.1 Å²	52.1	33%	0.329	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-84.2	150.3	169.7	-62.7	0	0	0	0	110.1	Y530 R532	Y530-S544 CarbonylContact O-C 3.55Å; Y530-S544 WeakPolarHBondContact O-CA 3.36Å; Y530-S544 VanDerWaalsContact O-CB 3.28Å; Y530-S544 WeakPolarHBondContact O-CB 3.36Å; R532-S544 WeakPolarHBondContact CG-OG 3.25Å; R532-S544 PolarHBondContact N-OG 3.12Å; R532-S544 VanDerWaalsContact N-OG 3.1Å
545	F	95.4	Very high	86.7	Confident	10 Å²	10	44.3 Å²	44.3	4%	0.044	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-154.6	163.4	176.7	56.9	-95.6	0	0	0	110.3	A526 F528 Y530 D549 L551 I579 Y666	A526-F545 HydrophobicContact CB-CD2 3.43Å; A526-F545 VanDerWaalsContact CB-CD2 3.43Å; A526-F545 HydrophobicContact CB-CE2 3.55Å; A526-F545 HydrophobicContact CB-CG 4.48Å; F528-F545 HydrophobicContact CE1-CE2 4.13Å; F528-F545 HydrophobicContact CE1-CZ 4.25Å; F528-F545 HydrophobicContact CE2-CE2 4.07Å; F528-F545 AromaticContact CE2-CZ 3.99Å; F528-F545 HydrophobicContact CE2-CZ 3.99Å; F528-F545 AromaticContact CZ-CE2 3.84Å; F528-F545 HydrophobicContact CZ-CE2 3.84Å; F528-F545 AromaticContact CZ-CZ 3.62Å; F528-F545 HydrophobicContact CZ-CZ 3.62Å; F528-F545 WeakPolarHBondContact O-CE2 3.48Å; Y530-F545 VanDerWaalsContact CB-CE1 3.5Å; Y530-F545 HydrophobicContact CD1-CD1 4.09Å; Y530-F545 AromaticContact CD1-CE1 3.61Å; Y530-F545 HydrophobicContact CD1-CE1 3.61Å; Y530-F545 HydrophobicContact CD1-CZ 4.22Å; Y530-F545 AromaticContact CG-CE1 3.86Å; Y530-F545 HydrophobicContact CG-CE1 3.86Å; Y530-F545 AromaticContact CG-CZ 3.99Å; Y530-F545 HydrophobicContact CG-CZ 3.99Å; Y530-F545 PolarHBondContact N-O 2.74Å; Y530-F545 PolarHBondContact O-N 3.28Å; F545-D549 WeakPolarHBondContact CA-OD2 3.39Å; F545-D549 HydrophobicContact CB-CB 4.17Å; F545-D549 WeakPolarHBondContact CB-OD2 3.44Å; F545-L551 HydrophobicContact CB-CD2 4.16Å; F545-L551 HydrophobicContact CD1-CD1 3.89Å; F545-L551 HydrophobicContact CD1-CD2 4.41Å; F545-L551 HydrophobicContact CD2-CD1 4.24Å; F545-L551 HydrophobicContact CE1-CD1 4.04Å; F545-L551 HydrophobicContact CE2-CD1 4.37Å; F545-L551 HydrophobicContact CG-CD1 3.99Å; F545-L551 HydrophobicContact CG-CD2 4.36Å; F545-L551 HydrophobicContact CZ-CD1 4.26Å; F545-I579 HydrophobicContact CD1-CG2 3.87Å; F545-I579 HydrophobicContact CE1-CB 3.82Å; F545-I579 HydrophobicContact CE1-CG2 3.58Å; F545-Y666 HydrophobicContact CE2-CE1 4.18Å; F545-Y666 AromaticContact CZ-CE1 3.85Å; F545-Y666 HydrophobicContact CZ-CE1 3.85Å; F545-Y666 WeakPolarHBondContact CZ-OH 3.07Å
546	S	95.3	Very high	87.1	Confident	61 Å²	61	44 Å²	44	43%	0.427	27%	0.266	S	S	.	.			trans	-112.5	168.3	178.1	-106.7	0	0	0	0	112.9	D529 G548 D549	D529-S546 WeakPolarHBondContact OD1-CA 3.47Å; D529-S546 VanDerWaalsContact OD1-CB 3.31Å; D529-S546 WeakPolarHBondContact OD1-CB 3.41Å; D529-S546 PolarHBondContact OD1-OG 2.95Å; S546-G548 PolarHBondContact O-N 2.7Å; S546-D549 PolarHBondContact N-OD2 2.84Å; S546-D549 WeakPolarHBondContact O-CB 3.45Å; S546-D549 PolarHBondContact O-N 2.84Å
547	Y	96.1	Very high	87.8	Confident	21 Å²	21	41.7 Å²	41.7	8%	0.082	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	130.3	170	-176.2	-73.1	0	0	0	111	L527 D529 G828 F831 I834	L527-Y547 HydrophobicContact CB-CE2 4.22Å; L527-Y547 HydrophobicContact CD2-CE2 4.31Å; L527-Y547 VanDerWaalsContact O-CD2 3.25Å; L527-Y547 WeakPolarHBondContact O-CD2 3.3Å; L527-Y547 WeakPolarHBondContact O-CE2 3.38Å; D529-Y547 PolarHBondContact OD1-N 2.87Å; Y547-G828 WeakPolarHBondContact CE2-O 3.45Å; Y547-G828 PolarHBondContact OH-O 3.14Å; Y547-F831 HydrophobicContact CE1-CB 4.08Å; Y547-F831 WeakPolarHBondContact OH-CB 3.23Å; Y547-F831 PolarHBondContact OH-O 3.19Å; Y547-I834 HydrophobicContact CD1-CB 4.29Å; Y547-I834 HydrophobicContact CD1-CD1 4.13Å; Y547-I834 HydrophobicContact CD1-CG1 3.8Å; Y547-I834 HydrophobicContact CD2-CD1 3.62Å; Y547-I834 HydrophobicContact CD2-CG1 4.22Å; Y547-I834 HydrophobicContact CE1-CD1 4.19Å; Y547-I834 HydrophobicContact CE1-CG1 3.87Å; Y547-I834 HydrophobicContact CE2-CD1 3.66Å; Y547-I834 HydrophobicContact CE2-CG1 4.27Å; Y547-I834 HydrophobicContact CG-CB 4.44Å; Y547-I834 HydrophobicContact CG-CD1 3.89Å; Y547-I834 HydrophobicContact CG-CG1 4.02Å
548	G	95.1	Very high	88.3	Confident	13 Å²	13	41.5 Å²	41.5	13%	0.134	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-16.9	178.7	0	0	0	0	0	114.5	A526 S546	A526-G548 PolarHBondContact O-N 3.28Å; S546-G548 PolarHBondContact O-N 2.7Å
549	D	95.6	Very high	88.7	Confident	51 Å²	51	43.9 Å²	43.9	27%	0.273	26%	0.257	S	S	.	.			trans	-59.3	142.2	178.5	-81.4	-16.3	0	0	0	111.9	R525 A526 F545 S546 L566	R525-D549 CarbonylContact C-O 3.49Å; R525-D549 WeakPolarHBondContact CA-O 3.44Å; A526-D549 PolarHBondContact N-O 3.35Å; F545-D549 WeakPolarHBondContact CA-OD2 3.39Å; F545-D549 HydrophobicContact CB-CB 4.17Å; F545-D549 WeakPolarHBondContact CB-OD2 3.44Å; S546-D549 PolarHBondContact N-OD2 2.84Å; S546-D549 WeakPolarHBondContact O-CB 3.45Å; S546-D549 PolarHBondContact O-N 2.84Å; D549-L566 HydrophobicContact CB-CD1 3.74Å
550	I	96.2	Very high	89.9	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.7	175.4	-51.3	-56.5	0	0	0	109.1	V524 R525 V567 V669 W860	V524-I550 CarbonylContact O-C 3.37Å; V524-I550 WeakPolarHBondContact O-CA 3.26Å; R525-I550 HydrophobicContact CB-CD1 3.87Å; R525-I550 HydrophobicContact CG-CD1 4.29Å; I550-V567 HydrophobicContact CB-CB 4.19Å; I550-V567 HydrophobicContact CG2-CB 4.1Å; I550-V567 HydrophobicContact CG2-CG2 4.4Å; I550-V567 PolarHBondContact O-N 2.64Å; I550-V669 HydrophobicContact CD1-CG2 4.41Å; I550-V669 HydrophobicContact CG2-CG2 4.26Å; I550-W860 HydrophobicContact CD1-CB 3.99Å; I550-W860 HydrophobicContact CD1-CG 4.08Å; I550-W860 HydrophobicContact CG1-CB 4.34Å; I550-W860 HydrophobicContact CG1-CD2 4.37Å; I550-W860 HydrophobicContact CG1-CG 3.9Å; I550-W860 HydrophobicContact CG2-CD2 3.88Å; I550-W860 HydrophobicContact CG2-CE3 4.16Å; I550-W860 HydrophobicContact CG2-CG 4.3Å; I550-W860 HydrophobicContact CG2-CH2 4.44Å; I550-W860 HydrophobicContact CG2-CZ2 4.2Å; I550-W860 HydrophobicContact CG2-CZ3 4.43Å
551	L	96.6	Very high	91	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.4	-175.9	-56.9	172.8	0	0	0	109.3	Y523 V524 A526 L543 F545 V553 R565 L566 I579 Y666	Y523-L551 WeakPolarHBondContact CA-O 3.22Å; V524-L551 HydrophobicContact CG2-CB 3.94Å; V524-L551 HydrophobicContact CG2-CD1 4.45Å; V524-L551 PolarHBondContact N-O 2.81Å; V524-L551 PolarHBondContact O-N 2.66Å; A526-L551 HydrophobicContact CB-CD1 4.38Å; L543-L551 HydrophobicContact CD2-CD2 4.32Å; F545-L551 HydrophobicContact CB-CD2 4.16Å; F545-L551 HydrophobicContact CD1-CD1 3.89Å; F545-L551 HydrophobicContact CD1-CD2 4.41Å; F545-L551 HydrophobicContact CD2-CD1 4.24Å; F545-L551 HydrophobicContact CE1-CD1 4.04Å; F545-L551 HydrophobicContact CE2-CD1 4.37Å; F545-L551 HydrophobicContact CG-CD1 3.99Å; F545-L551 HydrophobicContact CG-CD2 4.36Å; F545-L551 HydrophobicContact CZ-CD1 4.26Å; L551-V553 PolarHBondContact O-N 2.63Å; L551-R565 WeakPolarHBondContact CA-O 3.34Å; L551-L566 HydrophobicContact CD2-CD1 3.99Å; L551-I579 HydrophobicContact CD1-CD1 3.9Å; L551-Y666 HydrophobicContact CD1-CE1 3.95Å
552	H	95.2	Very high	91.6	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.8	164.9	-174	164.3	0	0	0	107.2	S521 Y523 I554 A564 R565 V567 E572	S521-H552 WeakPolarHBondContact CB-NE2 3.48Å; Y523-H552 HydrophobicContact CD1-CB 3.85Å; Y523-H552 HydrophobicContact CE1-CB 3.63Å; Y523-H552 AromaticContact CE1-CG 3.64Å; Y523-H552 AromaticContact CE1-ND1 3.62Å; Y523-H552 AromaticContact CZ-CE1 3.95Å; Y523-H552 AromaticContact CZ-ND1 3.68Å; Y523-H552 PolarHBondContact OH-ND1 2.92Å; H552-I554 PolarHBondContact O-N 2.87Å; H552-A564 CarbonylContact O-C 3.45Å; H552-A564 WeakPolarHBondContact O-CA 3.4Å; H552-A564 WeakPolarHBondContact O-CB 3.34Å; H552-R565 HydrophobicContact CB-CG 3.98Å; H552-R565 PolarHBondContact N-O 2.8Å; H552-R565 PolarHBondContact O-N 3.22Å; H552-V567 HydrophobicContact CB-CG2 3.89Å; H552-E572 IonicContact CE1-OE1 3.96Å; H552-E572 IonicContact CG-OE1 3.07Å; H552-E572 IonicContact ND1-OE1 3.32Å; H552-E572 PolarHBondContact ND1-OE1 3.49Å; H552-E572 IonicContact ND1-OE2 3.69Å
553	V	93.8	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110	173	-175.5	0	0	0	0	108.1	T516 L522 V524 L551 A556 W562 A564 I579	T516-V553 WeakPolarHBondContact CG2-O 3.45Å; L522-V553 HydrophobicContact CB-CB 4.24Å; L522-V553 HydrophobicContact CD2-CB 3.98Å; L522-V553 HydrophobicContact CD2-CG1 4.17Å; L522-V553 HydrophobicContact CD2-CG2 4.44Å; L522-V553 HydrophobicContact CG-CB 4.1Å; L522-V553 HydrophobicContact CG-CG2 4.49Å; L522-V553 PolarHBondContact O-N 3.43Å; V524-V553 HydrophobicContact CG1-CG2 4.13Å; V524-V553 HydrophobicContact CG2-CG2 3.82Å; L551-V553 PolarHBondContact O-N 2.63Å; V553-A556 HydrophobicContact CG1-CB 3.92Å; V553-W562 HydrophobicContact CG1-CB 4.16Å; V553-W562 HydrophobicContact CG1-CD2 4.36Å; V553-W562 HydrophobicContact CG1-CE3 4.22Å; V553-W562 HydrophobicContact CG1-CG 4.41Å; V553-W562 HydrophobicContact CG2-CE3 4.23Å; V553-A564 HydrophobicContact CG2-CB 4.48Å; V553-I579 HydrophobicContact CG2-CD1 4.48Å
554	I	91	Very high	91.9	Very high	59 Å²	59	37.4 Å²	37.4	30%	0.303	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-38.3	-178.3	-64.7	164.1	0	0	0	109.8	T516 H552 Q563 R565 I576	T516-I554 WeakPolarHBondContact CB-O 3.48Å; T516-I554 PolarHBondContact OG1-O 3Å; H552-I554 PolarHBondContact O-N 2.87Å; I554-Q563 PolarHBondContact N-O 3.3Å; I554-R565 HydrophobicContact CD1-CB 4.49Å; I554-R565 HydrophobicContact CD1-CG 3.99Å; I554-I576 HydrophobicContact CD1-CB 4.38Å; I554-I576 HydrophobicContact CD1-CD1 3.76Å; I554-I576 HydrophobicContact CD1-CG1 3.64Å; I554-I576 HydrophobicContact CD1-CG2 3.99Å
555	N	86.9	Confident	92	Very high	46 Å²	46	38 Å²	38	25%	0.246	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	119.9	177.7	-173.9	9.5	0	0	0	111.7	S557 W562 Q563	N555-S557 PolarHBondContact ND2-OG 3.48Å; N555-S557 WeakPolarHBondContact OD1-CB 3.29Å; N555-S557 PolarHBondContact OD1-N 2.95Å; N555-S557 PolarHBondContact OD1-OG 3.44Å; N555-W562 WeakPolarHBondContact O-CA 3.39Å; N555-Q563 HydrophobicContact CB-CB 4.03Å; N555-Q563 HydrophobicContact CB-CG 4.24Å; N555-Q563 PolarHBondContact N-O 2.84Å; N555-Q563 VanDerWaalsContact N-O 3.09Å; N555-Q563 PolarHBondContact ND2-OE1 2.77Å; N555-Q563 PolarHBondContact O-N 3.49Å
556	A	88.8	Confident	91.9	Very high	8 Å²	8	39.5 Å²	39.5	7%	0.066	21%	0.211	C	C	.	.			trans	-110.5	15.9	175.8	0	0	0	0	0	113.6	L514 V553 D558 W562	L514-A556 WeakPolarHBondContact O-CB 3.47Å; V553-A556 HydrophobicContact CG1-CB 3.92Å; A556-D558 VanDerWaalsContact C-N 3.33Å; A556-D558 PolarHBondContact O-N 2.92Å; A556-W562 VanDerWaalsContact CA-CD1 3.5Å; A556-W562 HydrophobicContact CB-CD2 4.1Å; A556-W562 HydrophobicContact CB-CG 4.16Å; A556-W562 HydrophobicContact CB-CZ2 4.32Å; A556-W562 PolarHBondContact O-NE1 3.43Å
557	S	82.6	Confident	91.8	Very high	77 Å²	77	37.5 Å²	37.5	54%	0.538	20%	0.196	S	C	.	.			trans	-70.5	-22.4	-174.7	72.9	0	0	0	0	115.2	N555	N555-S557 PolarHBondContact ND2-OG 3.48Å; N555-S557 WeakPolarHBondContact OD1-CB 3.29Å; N555-S557 PolarHBondContact OD1-N 2.95Å; N555-S557 PolarHBondContact OD1-OG 3.44Å
558	D	84.1	Confident	91.4	Very high	80 Å²	80	39 Å²	39	43%	0.428	21%	0.207	S	C	.	.	S	Bend	trans	-92.3	135.9	178.1	174.7	-47.7	0	0	0	110.5	A556 E560 W561 W562	A556-D558 VanDerWaalsContact C-N 3.33Å; A556-D558 PolarHBondContact O-N 2.92Å; D558-E560 VanDerWaalsContact C-N 3.31Å; D558-E560 PolarHBondContact O-N 3.02Å; D558-E560 PolarHBondContact OD1-N 3.16Å; D558-W561 VanDerWaalsContact CB-O 3.27Å; D558-W561 WeakPolarHBondContact CB-O 3.45Å; D558-W561 PolarHBondContact OD1-N 2.73Å; D558-W562 VanDerWaalsContact O-CD1 3.28Å; D558-W562 PolarHBondContact O-NE1 2.79Å
559	D	84.6	Confident	90.5	Very high	98 Å²	98	43 Å²	43	52%	0.524	23%	0.231	S	C	.	.	S	Bend	trans	-76.5	-17.3	-167.5	-140.5	27.8	0	0	0	112.7	S581 K583	D559-S581 PolarHBondContact O-OG 3.3Å; D559-K583 WeakPolarHBondContact OD1-CD 3.25Å; D559-K583 WeakPolarHBondContact OD1-CE 3.13Å; D559-K583 IonicContact OD1-NZ 2.74Å; D559-K583 PolarHBondContact OD1-NZ 3.27Å; D559-K583 IonicContact OD2-NZ 3.14Å; D559-K583 PolarHBondContact OD2-NZ 3.22Å
560	E	88.6	Confident	89.6	Confident	47 Å²	47	49.6 Å²	49.6	22%	0.22	26%	0.26	C	S	.	.	S	Bend	trans	-116.4	-29.2	-179.8	-72.9	-83.6	151.8	0	0	113	D558 S581 R584 K587	D558-E560 VanDerWaalsContact C-N 3.31Å; D558-E560 PolarHBondContact O-N 3.02Å; D558-E560 PolarHBondContact OD1-N 3.16Å; E560-S581 WeakPolarHBondContact CA-OG 3.27Å; E560-S581 PolarHBondContact O-N 2.86Å; E560-S581 PolarHBondContact O-OG 2.97Å; E560-R584 WeakPolarHBondContact O-CB 3.11Å; E560-R584 WeakPolarHBondContact O-CD 3.44Å; E560-R584 WeakPolarHBondContact OE2-CD 3.43Å; E560-R584 WeakPolarHBondContact OE2-CG 3.37Å; E560-R584 IonicContact OE2-CZ 3.35Å; E560-R584 IonicContact OE2-NE 3.13Å; E560-R584 IonicContact OE2-NH1 3.52Å; E560-R584 PolarHBondContact OE2-NH1 2.94Å; E560-K587 IonicContact OE1-NZ 3.9Å; E560-K587 PolarHBondContact OE1-NZ 3.45Å
561	W	91	Very high	89	Confident	34 Å²	34	50.7 Å²	50.7	13%	0.129	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129	-173.3	-64.8	110.1	0	0	0	112.5	C537 L538 P539 D558 V578 P580 R584	C537-W561 WeakPolarHBondContact O-CZ2 3.48Å; L538-W561 HydrophobicContact CB-CH2 4.33Å; L538-W561 HydrophobicContact CD1-CE3 4.49Å; L538-W561 HydrophobicContact CD1-CH2 4.01Å; L538-W561 HydrophobicContact CD1-CZ3 3.88Å; P539-W561 HydrophobicContact CG-CD2 4.37Å; P539-W561 HydrophobicContact CG-CG 4.21Å; D558-W561 VanDerWaalsContact CB-O 3.27Å; D558-W561 WeakPolarHBondContact CB-O 3.45Å; D558-W561 PolarHBondContact OD1-N 2.73Å; W561-V578 HydrophobicContact CB-CG1 3.78Å; W561-V578 HydrophobicContact CD2-CG1 4.02Å; W561-V578 HydrophobicContact CE3-CG1 3.65Å; W561-V578 HydrophobicContact CG-CG1 4.11Å; W561-V578 HydrophobicContact CZ3-CG1 4.49Å; W561-P580 HydrophobicContact CE3-CB 4.33Å; W561-P580 HydrophobicContact CZ3-CB 4.08Å; W561-R584 VanDerWaalsContact CZ2-NH2 3.31Å
562	W	92.9	Very high	88.6	Confident	16 Å²	16	54 Å²	54	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.8	175.6	-64.8	-14	0	0	0	111	V553 N555 A556 D558 V578 I579 K582 Y666	V553-W562 HydrophobicContact CG1-CB 4.16Å; V553-W562 HydrophobicContact CG1-CD2 4.36Å; V553-W562 HydrophobicContact CG1-CE3 4.22Å; V553-W562 HydrophobicContact CG1-CG 4.41Å; V553-W562 HydrophobicContact CG2-CE3 4.23Å; N555-W562 WeakPolarHBondContact O-CA 3.39Å; A556-W562 VanDerWaalsContact CA-CD1 3.5Å; A556-W562 HydrophobicContact CB-CD2 4.1Å; A556-W562 HydrophobicContact CB-CG 4.16Å; A556-W562 HydrophobicContact CB-CZ2 4.32Å; A556-W562 PolarHBondContact O-NE1 3.43Å; D558-W562 VanDerWaalsContact O-CD1 3.28Å; D558-W562 PolarHBondContact O-NE1 2.79Å; W562-V578 WeakPolarHBondContact O-CA 3.47Å; W562-I579 HydrophobicContact CB-CD1 4.36Å; W562-I579 HydrophobicContact CB-CG1 3.84Å; W562-I579 HydrophobicContact CE3-CD1 4.44Å; W562-I579 PolarHBondContact N-O 2.78Å; W562-I579 PolarHBondContact O-N 3.13Å; W562-K582 HydrophobicContact CH2-CB 3.49Å; W562-K582 VanDerWaalsContact CH2-CB 3.49Å; W562-K582 HydrophobicContact CZ2-CB 3.99Å; W562-K582 HydrophobicContact CZ3-CB 4.16Å; W562-Y666 HydrophobicContact CE3-CE2 4.39Å; W562-Y666 AromaticContact CZ3-CD2 3.92Å; W562-Y666 HydrophobicContact CZ3-CD2 3.92Å; W562-Y666 HydrophobicContact CZ3-CE2 4.17Å; W562-Y666 HydrophobicContact CZ3-CG 4.49Å
563	Q	91.6	Very high	88.2	Confident	89 Å²	89	55 Å²	55	42%	0.416	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.6	170.1	-54.8	178.1	-82.5	0	0	108.6	I554 N555 G577	I554-Q563 PolarHBondContact N-O 3.3Å; N555-Q563 HydrophobicContact CB-CB 4.03Å; N555-Q563 HydrophobicContact CB-CG 4.24Å; N555-Q563 PolarHBondContact N-O 2.84Å; N555-Q563 VanDerWaalsContact N-O 3.09Å; N555-Q563 PolarHBondContact ND2-OE1 2.77Å; N555-Q563 PolarHBondContact O-N 3.49Å; Q563-G577 WeakPolarHBondContact CA-O 3.27Å
564	A	94.9	Very high	87.6	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	170.5	-176.1	0	0	0	0	0	112.1	H552 V553 G577 I579	H552-A564 CarbonylContact O-C 3.45Å; H552-A564 WeakPolarHBondContact O-CA 3.4Å; H552-A564 WeakPolarHBondContact O-CB 3.34Å; V553-A564 HydrophobicContact CG2-CB 4.48Å; A564-G577 PolarHBondContact N-O 3.22Å; A564-G577 PolarHBondContact O-N 3.15Å; A564-G577 VanDerWaalsContact O-O 3.09Å; A564-I579 HydrophobicContact CB-CD1 3.57Å; A564-I579 HydrophobicContact CB-CG1 3.98Å; A564-I579 HydrophobicContact CB-CG2 4.31Å
565	R	94.9	Very high	87.4	Confident	58 Å²	58	66.7 Å²	66.7	22%	0.219	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.9	169.1	56.6	177	163.2	168.1	1.7	110.6	L551 H552 I554 E572 S573 Q575	L551-R565 WeakPolarHBondContact CA-O 3.34Å; H552-R565 HydrophobicContact CB-CG 3.98Å; H552-R565 PolarHBondContact N-O 2.8Å; H552-R565 PolarHBondContact O-N 3.22Å; I554-R565 HydrophobicContact CD1-CB 4.49Å; I554-R565 HydrophobicContact CD1-CG 3.99Å; R565-E572 IonicContact CZ-OE2 3.77Å; R565-E572 IonicContact NE-OE2 2.88Å; R565-E572 IonicContact NH1-OE2 2.63Å; R565-E572 IonicContact NH2-OE1 3.2Å; R565-E572 IonicContact NH2-OE2 2.79Å; R565-E572 PolarHBondContact NH2-OE2 3.34Å; R565-S573 WeakPolarHBondContact CD-O 3.48Å; R565-Q575 WeakPolarHBondContact CB-O 3.41Å
566	L	95	Very high	87.6	Confident	43 Å²	43	68.7 Å²	68.7	23%	0.225	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.6	175.4	-174.4	67.2	0	0	0	110.6	D549 L551 T568 S573	D549-L566 HydrophobicContact CB-CD1 3.74Å; L551-L566 HydrophobicContact CD2-CD1 3.99Å; L566-T568 HydrophobicContact CD2-CG2 4.26Å; L566-T568 HydrophobicContact CG-CG2 4.35Å; L566-S573 VanDerWaalsContact O-CB 3.31Å; L566-S573 WeakPolarHBondContact O-CB 3.16Å; L566-S573 PolarHBondContact O-N 3.13Å
567	V	93.3	Very high	87.7	Confident	18 Å²	18	68.5 Å²	68.5	11%	0.109	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118	173.9	-173.6	0	0	0	0	108.7	Y523 I550 H552 E572 W860	Y523-V567 HydrophobicContact CD1-CG2 4.13Å; Y523-V567 HydrophobicContact CE1-CG2 4.08Å; I550-V567 HydrophobicContact CB-CB 4.19Å; I550-V567 HydrophobicContact CG2-CB 4.1Å; I550-V567 HydrophobicContact CG2-CG2 4.4Å; I550-V567 PolarHBondContact O-N 2.64Å; H552-V567 HydrophobicContact CB-CG2 3.89Å; V567-E572 HydrophobicContact CG1-CG 4.39Å; V567-E572 HydrophobicContact CG2-CG 4.36Å; V567-W860 HydrophobicContact CG1-CZ2 3.92Å
568	T	86.8	Confident	88.2	Confident	53 Å²	53	65.8 Å²	65.8	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	168.1	-177	73.2	0	0	0	0	110.8	L566 H570 G571	L566-T568 HydrophobicContact CD2-CG2 4.26Å; L566-T568 HydrophobicContact CG-CG2 4.35Å; T568-H570 PolarHBondContact O-N 3.43Å; T568-H570 VanDerWaalsContact O-N 3.08Å; T568-H570 PolarHBondContact OG1-N 3.49Å; T568-G571 PolarHBondContact N-O 3.12Å; T568-G571 PolarHBondContact O-N 3.1Å; T568-G571 PolarHBondContact OG1-N 2.95Å; T568-G571 PolarHBondContact OG1-O 3.37Å
569	P	77	Confident	88.8	Confident	98 Å²	98	62 Å²	62	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18	169.2	-25.7	36	0	0	0	114.4	D853	P569-D853 HydrophobicContact CG-CB 4.44Å
570	H	76.4	Confident	89.2	Confident	189 Å²	189	57.5 Å²	57.5	88%	0.875	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.9	176.4	-56	-36.8	0	0	0	113.6	T568	T568-H570 PolarHBondContact O-N 3.43Å; T568-H570 VanDerWaalsContact O-N 3.08Å; T568-H570 PolarHBondContact OG1-N 3.49Å
571	G	83.3	Confident	89.5	Confident	33 Å²	33	55.2 Å²	55.2	34%	0.34	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.3	-169.6	-176.7	0	0	0	0	0	113.3	T568	T568-G571 PolarHBondContact N-O 3.12Å; T568-G571 PolarHBondContact O-N 3.1Å; T568-G571 PolarHBondContact OG1-N 2.95Å; T568-G571 PolarHBondContact OG1-O 3.37Å
572	E	87.1	Confident	89.5	Confident	70 Å²	70	55.7 Å²	55.7	33%	0.327	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.8	-174.4	-44.2	-170.6	107.9	0	0	111.1	Y523 H552 R565 V567	Y523-E572 WeakPolarHBondContact CE1-OE1 3.21Å; Y523-E572 PolarHBondContact OH-OE1 3.41Å; Y523-E572 VanDerWaalsContact OH-OE1 3.13Å; H552-E572 IonicContact CE1-OE1 3.96Å; H552-E572 IonicContact CG-OE1 3.07Å; H552-E572 IonicContact ND1-OE1 3.32Å; H552-E572 PolarHBondContact ND1-OE1 3.49Å; H552-E572 IonicContact ND1-OE2 3.69Å; R565-E572 IonicContact CZ-OE2 3.77Å; R565-E572 IonicContact NE-OE2 2.88Å; R565-E572 IonicContact NH1-OE2 2.63Å; R565-E572 IonicContact NH2-OE1 3.2Å; R565-E572 IonicContact NH2-OE2 2.79Å; R565-E572 PolarHBondContact NH2-OE2 3.34Å; V567-E572 HydrophobicContact CG1-CG 4.39Å; V567-E572 HydrophobicContact CG2-CG 4.36Å
573	S	87	Confident	89.4	Confident	40 Å²	40	60 Å²	60	28%	0.28	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.3	177	-176.3	0	0	0	0	111.5	R565 L566 Q575	R565-S573 WeakPolarHBondContact CD-O 3.48Å; L566-S573 VanDerWaalsContact O-CB 3.31Å; L566-S573 WeakPolarHBondContact O-CB 3.16Å; L566-S573 PolarHBondContact O-N 3.13Å; S573-Q575 PolarHBondContact O-N 2.89Å; S573-Q575 PolarHBondContact OG-N 3.12Å; S573-Q575 VanDerWaalsContact OG-N 3.15Å
574	E	82.8	Confident	89.4	Confident	188 Å²	188	57.5 Å²	57.5	88%	0.879	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	-21.6	169.2	-61.7	-178.6	169.9	0	0	111.9	I576	E574-I576 PolarHBondContact O-N 3.19Å
575	Q	86.8	Confident	89.3	Confident	115 Å²	115	58.2 Å²	58.2	54%	0.537	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	94.9	179.3	-173.1	170.3	38	0	0	111.7	R565 S573	R565-Q575 WeakPolarHBondContact CB-O 3.41Å; S573-Q575 PolarHBondContact O-N 2.89Å; S573-Q575 PolarHBondContact OG-N 3.12Å; S573-Q575 VanDerWaalsContact OG-N 3.15Å
576	I	90.3	Very high	89.1	Confident	88 Å²	88	57.4 Å²	57.4	45%	0.451	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.7	161	-55.2	175.6	0	0	0	108.9	I554 E574	I554-I576 HydrophobicContact CD1-CB 4.38Å; I554-I576 HydrophobicContact CD1-CD1 3.76Å; I554-I576 HydrophobicContact CD1-CG1 3.64Å; I554-I576 HydrophobicContact CD1-CG2 3.99Å; E574-I576 PolarHBondContact O-N 3.19Å
577	G	91.2	Very high	88.9	Confident	4 Å²	4	61.4 Å²	61.4	4%	0.041	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-177.3	174.1	0	0	0	0	0	112.8	Q541 Q563 A564	Q541-G577 CarbonylContact O-C 3.59Å; Q541-G577 WeakPolarHBondContact O-CA 3.22Å; Q563-G577 WeakPolarHBondContact CA-O 3.27Å; A564-G577 PolarHBondContact N-O 3.22Å; A564-G577 PolarHBondContact O-N 3.15Å; A564-G577 VanDerWaalsContact O-O 3.09Å
578	V	93.6	Very high	88.7	Confident	20 Å²	20	66.4 Å²	66.4	12%	0.121	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.4	-173.8	-177	0	0	0	0	111	L538 P539 S540 Q541 G542 L543 W561 W562	L538-V578 HydrophobicContact CD1-CB 4.46Å; L538-V578 HydrophobicContact CD1-CG1 4.48Å; P539-V578 HydrophobicContact CG-CG1 4.24Å; S540-V578 WeakPolarHBondContact O-CG2 3.49Å; Q541-V578 PolarHBondContact O-N 2.89Å; G542-V578 WeakPolarHBondContact CA-O 3.42Å; L543-V578 PolarHBondContact N-O 2.89Å; W561-V578 HydrophobicContact CB-CG1 3.78Å; W561-V578 HydrophobicContact CD2-CG1 4.02Å; W561-V578 HydrophobicContact CE3-CG1 3.65Å; W561-V578 HydrophobicContact CG-CG1 4.11Å; W561-V578 HydrophobicContact CZ3-CG1 4.49Å; W562-V578 WeakPolarHBondContact O-CA 3.47Å
579	I	94.9	Very high	88.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152	175.3	65.8	172.5	0	0	0	110.1	L543 F545 L551 V553 W562 A564 Y666	L543-I579 HydrophobicContact CB-CG2 3.92Å; L543-I579 HydrophobicContact CD2-CG2 4.07Å; L543-I579 HydrophobicContact CG-CG2 4.31Å; F545-I579 HydrophobicContact CD1-CG2 3.87Å; F545-I579 HydrophobicContact CE1-CB 3.82Å; F545-I579 HydrophobicContact CE1-CG2 3.58Å; L551-I579 HydrophobicContact CD1-CD1 3.9Å; V553-I579 HydrophobicContact CG2-CD1 4.48Å; W562-I579 HydrophobicContact CB-CD1 4.36Å; W562-I579 HydrophobicContact CB-CG1 3.84Å; W562-I579 HydrophobicContact CE3-CD1 4.44Å; W562-I579 PolarHBondContact N-O 2.78Å; W562-I579 PolarHBondContact O-N 3.13Å; A564-I579 HydrophobicContact CB-CD1 3.57Å; A564-I579 HydrophobicContact CB-CG1 3.98Å; A564-I579 HydrophobicContact CB-CG2 4.31Å; I579-Y666 HydrophobicContact CD1-CE1 4.32Å
580	P	94.6	Very high	89.3	Confident	4 Å²	4	65.6 Å²	65.6	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.7	176.3	29.2	-35.2	0	0	0	110.5	F528 Y530 W561 R584 V585 Y666	F528-P580 HydrophobicContact CE2-CG 4.47Å; F528-P580 HydrophobicContact CZ-CG 4.26Å; Y530-P580 HydrophobicContact CD1-CG 4.49Å; Y530-P580 HydrophobicContact CD2-CG 3.87Å; Y530-P580 HydrophobicContact CE2-CG 3.92Å; Y530-P580 HydrophobicContact CG-CG 4.18Å; W561-P580 HydrophobicContact CE3-CB 4.33Å; W561-P580 HydrophobicContact CZ3-CB 4.08Å; P580-R584 HydrophobicContact CB-CG 4.25Å; P580-V585 HydrophobicContact CB-CG2 3.97Å; P580-V585 HydrophobicContact CG-CG2 3.87Å; P580-Y666 VanDerWaalsContact O-CE2 3.25Å; P580-Y666 WeakPolarHBondContact O-CE2 3.33Å; P580-Y666 PolarHBondContact O-OH 2.89Å
581	S	93.1	Very high	89.7	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.			trans	-62.1	154.8	177.8	75.7	0	0	0	0	111.8	D559 E560 K583 R584 V585	D559-S581 PolarHBondContact O-OG 3.3Å; E560-S581 WeakPolarHBondContact CA-OG 3.27Å; E560-S581 PolarHBondContact O-N 2.86Å; E560-S581 PolarHBondContact O-OG 2.97Å; S581-K583 PolarHBondContact O-N 3.44Å; S581-R584 WeakPolarHBondContact O-CB 3.19Å; S581-R584 PolarHBondContact O-N 3.35Å; S581-R584 WeakPolarHBondContact OG-CB 3.43Å; S581-R584 PolarHBondContact OG-N 3.28Å; S581-V585 WeakPolarHBondContact O-CG2 3.36Å; S581-V585 PolarHBondContact O-N 3.24Å
582	K	92.4	Very high	89.8	Confident	43 Å²	43	63.5 Å²	63.5	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-47.9	-47.3	171.2	178.3	176.6	170.4	-179	0	111.3	W562 R584 V585 E586 Y666 L867	W562-K582 HydrophobicContact CH2-CB 3.49Å; W562-K582 VanDerWaalsContact CH2-CB 3.49Å; W562-K582 HydrophobicContact CZ2-CB 3.99Å; W562-K582 HydrophobicContact CZ3-CB 4.16Å; K582-R584 PolarHBondContact O-N 3.15Å; K582-V585 PolarHBondContact O-N 2.7Å; K582-E586 WeakPolarHBondContact CE-OE1 3.47Å; K582-E586 VanDerWaalsContact O-CB 3.31Å; K582-E586 WeakPolarHBondContact O-CB 3.15Å; K582-E586 PolarHBondContact O-N 2.83Å; K582-Y666 HydrophobicContact CB-CD2 3.94Å; K582-L867 HydrophobicContact CD-CB 3.58Å; K582-L867 HydrophobicContact CD-CD1 4.43Å; K582-L867 PolarHBondContact NZ-O 3.47Å
583	K	91.1	Very high	89.4	Confident	106 Å²	106	63.2 Å²	63.2	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-41.8	178.7	-164.1	-177.7	-156.6	172.6	0	112.7	D559 S581 K587	D559-K583 WeakPolarHBondContact OD1-CD 3.25Å; D559-K583 WeakPolarHBondContact OD1-CE 3.13Å; D559-K583 IonicContact OD1-NZ 2.74Å; D559-K583 PolarHBondContact OD1-NZ 3.27Å; D559-K583 IonicContact OD2-NZ 3.14Å; D559-K583 PolarHBondContact OD2-NZ 3.22Å; S581-K583 PolarHBondContact O-N 3.44Å; K583-K587 WeakPolarHBondContact O-CB 3.37Å; K583-K587 PolarHBondContact O-N 3.48Å
584	R	91.6	Very high	88.9	Confident	37 Å²	37	69 Å²	69	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-46.5	175.9	176.4	176.8	174.3	88.8	-4.1	111.9	D535 E560 W561 P580 S581 K582 K587 K588	D535-R584 VanDerWaalsContact CG-NH2 3.33Å; D535-R584 IonicContact OD1-NH2 2.64Å; D535-R584 PolarHBondContact OD1-NH2 3.43Å; D535-R584 IonicContact OD2-CZ 2.7Å; D535-R584 IonicContact OD2-NE 3.85Å; D535-R584 IonicContact OD2-NH2 3.77Å; D535-R584 PolarHBondContact OD2-NH2 3.02Å; E560-R584 WeakPolarHBondContact O-CB 3.11Å; E560-R584 WeakPolarHBondContact O-CD 3.44Å; E560-R584 WeakPolarHBondContact OE2-CD 3.43Å; E560-R584 WeakPolarHBondContact OE2-CG 3.37Å; E560-R584 IonicContact OE2-CZ 3.35Å; E560-R584 IonicContact OE2-NE 3.13Å; E560-R584 IonicContact OE2-NH1 3.52Å; E560-R584 PolarHBondContact OE2-NH1 2.94Å; W561-R584 VanDerWaalsContact CZ2-NH2 3.31Å; P580-R584 HydrophobicContact CB-CG 4.25Å; S581-R584 WeakPolarHBondContact O-CB 3.19Å; S581-R584 PolarHBondContact O-N 3.35Å; S581-R584 WeakPolarHBondContact OG-CB 3.43Å; S581-R584 PolarHBondContact OG-N 3.28Å; K582-R584 PolarHBondContact O-N 3.15Å; R584-K587 PolarHBondContact O-N 2.82Å; R584-K588 VanDerWaalsContact O-CB 3.24Å; R584-K588 WeakPolarHBondContact O-CB 3.3Å; R584-K588 PolarHBondContact O-N 3.33Å
585	V	91.8	Very high	87.9	Confident	15 Å²	15	65 Å²	65	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-54.4	177.5	177.2	0	0	0	0	110	F528 P580 S581 K582 K587 K588 E589 Y666	F528-V585 HydrophobicContact CD1-CG1 4.28Å; F528-V585 HydrophobicContact CE1-CG1 3.96Å; F528-V585 HydrophobicContact CE1-CG2 3.97Å; F528-V585 HydrophobicContact CE2-CG1 4.37Å; F528-V585 HydrophobicContact CE2-CG2 4.07Å; F528-V585 HydrophobicContact CZ-CB 4.38Å; F528-V585 HydrophobicContact CZ-CG1 4.02Å; F528-V585 HydrophobicContact CZ-CG2 3.43Å; F528-V585 VanDerWaalsContact CZ-CG2 3.43Å; P580-V585 HydrophobicContact CB-CG2 3.97Å; P580-V585 HydrophobicContact CG-CG2 3.87Å; S581-V585 WeakPolarHBondContact O-CG2 3.36Å; S581-V585 PolarHBondContact O-N 3.24Å; K582-V585 PolarHBondContact O-N 2.7Å; V585-K587 VanDerWaalsContact C-N 3.34Å; V585-K587 PolarHBondContact O-N 2.72Å; V585-K588 PolarHBondContact O-N 3.03Å; V585-E589 WeakPolarHBondContact O-CB 3.45Å; V585-E589 PolarHBondContact O-N 3.14Å; V585-Y666 HydrophobicContact CG2-CE2 4.23Å
586	E	92	Very high	86.1	Confident	42 Å²	42	64.3 Å²	64.3	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-41.7	178.1	-89.3	-157.4	-125	0	0	113.8	K582 R590 I663	K582-E586 WeakPolarHBondContact CE-OE1 3.47Å; K582-E586 VanDerWaalsContact O-CB 3.31Å; K582-E586 WeakPolarHBondContact O-CB 3.15Å; K582-E586 PolarHBondContact O-N 2.83Å; E586-R590 WeakPolarHBondContact O-CB 3.4Å; E586-R590 PolarHBondContact O-N 3.25Å; E586-R590 PolarHBondContact O-NH1 3.43Å; E586-R590 IonicContact OE2-CZ 3.76Å; E586-R590 VanDerWaalsContact OE2-CZ 3.28Å; E586-R590 IonicContact OE2-NH1 2.85Å; E586-R590 PolarHBondContact OE2-NH1 3.28Å; E586-R590 IonicContact OE2-NH2 3.07Å; E586-R590 PolarHBondContact OE2-NH2 3.25Å; E586-I663 HydrophobicContact CG-CB 4.16Å; E586-I663 HydrophobicContact CG-CD1 4.47Å; E586-I663 HydrophobicContact CG-CG2 4.16Å
587	K	89.9	Confident	84	Confident	126 Å²	126	68.7 Å²	68.7	55%	0.548	33%	0.327	S	S	.	.	H	α-helix	trans	-67.6	-40.8	178.4	174.4	-179.4	169.7	-171.7	0	111.8	E560 K583 R584 V585 A591	E560-K587 IonicContact OE1-NZ 3.9Å; E560-K587 PolarHBondContact OE1-NZ 3.45Å; K583-K587 WeakPolarHBondContact O-CB 3.37Å; K583-K587 PolarHBondContact O-N 3.48Å; R584-K587 PolarHBondContact O-N 2.82Å; V585-K587 VanDerWaalsContact C-N 3.34Å; V585-K587 PolarHBondContact O-N 2.72Å; K587-A591 WeakPolarHBondContact O-CB 3.49Å; K587-A591 PolarHBondContact O-N 2.77Å
588	K	89.4	Confident	81.4	Confident	123 Å²	123	78 Å²	78	54%	0.535	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-45.6	176.8	-174.7	176.1	-177.8	176.6	0	111	D535 R584 V585 A591 R592	D535-K588 IonicContact OD2-NZ 3.89Å; R584-K588 VanDerWaalsContact O-CB 3.24Å; R584-K588 WeakPolarHBondContact O-CB 3.3Å; R584-K588 PolarHBondContact O-N 3.33Å; V585-K588 PolarHBondContact O-N 3.03Å; K588-A591 WeakPolarHBondContact O-CB 3.19Å; K588-A591 PolarHBondContact O-N 3.25Å; K588-R592 PolarHBondContact O-N 3.14Å
589	E	87	Confident	78.7	Confident	54 Å²	54	85.4 Å²	85.4	25%	0.252	40%	0.4	S	S	.	.	H	α-helix	trans	-76.5	-41.1	-176.6	-173.5	56.5	-164.3	0	0	112.6	V585 A591 R592 L593 I663	V585-E589 WeakPolarHBondContact O-CB 3.45Å; V585-E589 PolarHBondContact O-N 3.14Å; E589-A591 PolarHBondContact O-N 2.94Å; E589-R592 WeakPolarHBondContact O-CA 3.41Å; E589-R592 WeakPolarHBondContact O-CB 3.47Å; E589-R592 PolarHBondContact O-N 2.92Å; E589-R592 IonicContact OE1-CZ 3.67Å; E589-R592 IonicContact OE1-NE 3.36Å; E589-R592 PolarHBondContact OE1-NE 2.95Å; E589-R592 IonicContact OE1-NH2 2.67Å; E589-R592 PolarHBondContact OE1-NH2 2.81Å; E589-R592 WeakPolarHBondContact OE2-CD 3.37Å; E589-R592 IonicContact OE2-CZ 2.91Å; E589-R592 IonicContact OE2-NE 3.97Å; E589-R592 PolarHBondContact OE2-NE 2.83Å; E589-L593 WeakPolarHBondContact O-CG 2.98Å; E589-L593 PolarHBondContact O-N 3.41Å; E589-I663 HydrophobicContact CB-CG2 3.86Å; E589-I663 HydrophobicContact CG-CG2 3.82Å
590	R	88.4	Confident	75.6	Confident	81 Å²	81	90.1 Å²	90.1	31%	0.306	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-23.3	171.1	-160.6	176.8	-83.7	108	-18.8	112.2	E586 K594 I663	E586-R590 WeakPolarHBondContact O-CB 3.4Å; E586-R590 PolarHBondContact O-N 3.25Å; E586-R590 PolarHBondContact O-NH1 3.43Å; E586-R590 IonicContact OE2-CZ 3.76Å; E586-R590 VanDerWaalsContact OE2-CZ 3.28Å; E586-R590 IonicContact OE2-NH1 2.85Å; E586-R590 PolarHBondContact OE2-NH1 3.28Å; E586-R590 IonicContact OE2-NH2 3.07Å; E586-R590 PolarHBondContact OE2-NH2 3.25Å; R590-K594 VanDerWaalsContact O-CD 3.31Å; R590-K594 WeakPolarHBondContact O-CD 3.25Å; R590-K594 WeakPolarHBondContact O-CG 3.41Å; R590-K594 PolarHBondContact O-N 3.22Å; R590-I663 HydrophobicContact CB-CD1 3.66Å; R590-I663 HydrophobicContact CG-CD1 4.26Å
591	A	85.5	Confident	72.8	Confident	51 Å²	51	101.4 Å²	101.4	42%	0.421	48%	0.481	S	S	.	.	H	α-helix	trans	-79.1	-39	169.4	0	0	0	0	0	112.6	K587 K588 E589 K594 T595	K587-A591 WeakPolarHBondContact O-CB 3.49Å; K587-A591 PolarHBondContact O-N 2.77Å; K588-A591 WeakPolarHBondContact O-CB 3.19Å; K588-A591 PolarHBondContact O-N 3.25Å; E589-A591 PolarHBondContact O-N 2.94Å; A591-K594 PolarHBondContact O-N 3.28Å; A591-T595 PolarHBondContact O-N 3.13Å; A591-T595 VanDerWaalsContact O-N 3.13Å; A591-T595 PolarHBondContact O-OG1 2.8Å
592	R	84.6	Confident	69.7	Low	127 Å²	127	108.7 Å²	108.7	48%	0.479	53%	0.525	S	S	.	.	H	α-helix	trans	-59.9	-48.4	173.7	-168.1	-170.4	72.8	84.4	-0.6	111.6	K588 E589 K594 T595 V596	K588-R592 PolarHBondContact O-N 3.14Å; E589-R592 WeakPolarHBondContact O-CA 3.41Å; E589-R592 WeakPolarHBondContact O-CB 3.47Å; E589-R592 PolarHBondContact O-N 2.92Å; E589-R592 IonicContact OE1-CZ 3.67Å; E589-R592 IonicContact OE1-NE 3.36Å; E589-R592 PolarHBondContact OE1-NE 2.95Å; E589-R592 IonicContact OE1-NH2 2.67Å; E589-R592 PolarHBondContact OE1-NH2 2.81Å; E589-R592 WeakPolarHBondContact OE2-CD 3.37Å; E589-R592 IonicContact OE2-CZ 2.91Å; E589-R592 IonicContact OE2-NE 3.97Å; E589-R592 PolarHBondContact OE2-NE 2.83Å; R592-K594 VanDerWaalsContact C-N 3.26Å; R592-K594 PolarHBondContact O-N 2.96Å; R592-T595 PolarHBondContact O-N 2.84Å; R592-T595 VanDerWaalsContact O-N 3.16Å; R592-T595 PolarHBondContact O-OG1 2.84Å; R592-V596 WeakPolarHBondContact O-CG2 3.46Å; R592-V596 PolarHBondContact O-N 2.93Å
593	L	79	Confident	66.8	Low	64 Å²	64	109.7 Å²	109.7	34%	0.335	55%	0.548	S	S	.	.	H	α-helix	trans	-61.3	-35.2	177.4	-65.4	172.7	0	0	0	111.9	E589 D661	E589-L593 WeakPolarHBondContact O-CG 2.98Å; E589-L593 PolarHBondContact O-N 3.41Å; L593-D661 HydrophobicContact CD1-CB 4.26Å
594	K	77.6	Confident	64	Low	161 Å²	161	113.3 Å²	113.3	70%	0.7	57%	0.569	S	S	*	*	H	α-helix	trans	-71.5	-25.7	176.1	-76.3	173.6	-175.4	178.4	0	114.3	R590 A591 R592	R590-K594 VanDerWaalsContact O-CD 3.31Å; R590-K594 WeakPolarHBondContact O-CD 3.25Å; R590-K594 WeakPolarHBondContact O-CG 3.41Å; R590-K594 PolarHBondContact O-N 3.22Å; A591-K594 PolarHBondContact O-N 3.28Å; R592-K594 VanDerWaalsContact C-N 3.26Å; R592-K594 PolarHBondContact O-N 2.96Å
595	T	61.2	Low	61.1	Low	104 Å²	104	119.9 Å²	119.9	64%	0.638	61%	0.605	S	S	*	*	H	α-helix	trans	-86.5	-18.6	177.2	53.2	0	0	0	0	113.5	A591 R592 K597	A591-T595 PolarHBondContact O-N 3.13Å; A591-T595 VanDerWaalsContact O-N 3.13Å; A591-T595 PolarHBondContact O-OG1 2.8Å; R592-T595 PolarHBondContact O-N 2.84Å; R592-T595 VanDerWaalsContact O-N 3.16Å; R592-T595 PolarHBondContact O-OG1 2.84Å; T595-K597 PolarHBondContact O-N 2.92Å
596	V	49.6	Very low	58.2	Low	101 Å²	101	127.7 Å²	127.7	61%	0.612	64%	0.64	S	S	*	*			trans	-98.4	68.1	-178.5	-171.5	0	0	0	0	111.7	R592	R592-V596 WeakPolarHBondContact O-CG2 3.46Å; R592-V596 PolarHBondContact O-N 2.93Å
597	K	46	Very low	55.3	Low	179 Å²	179	130.6 Å²	130.6	78%	0.778	67%	0.665	S	S	*	*			trans	-129.8	44.6	164.6	-79.6	-163.6	174.3	-177.4	0	113.7	T595	T595-K597 PolarHBondContact O-N 2.92Å
598	F	36.7	Very low	52.4	Low	200 Å²	200	131.6 Å²	131.6	88%	0.877	68%	0.677	S	S	*	*			trans	-81.5	129.8	159.3	-83.8	-85.2	0	0	0	109.9	A600	F598-A600 PolarHBondContact O-N 3Å; F598-A600 VanDerWaalsContact O-N 3.16Å
599	H	35.8	Very low	49.7	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.815	70%	0.697	S	S	*	*			trans	-78	100.3	-171.1	-75.4	53.5	0	0	0	111.8	R601	H599-R601 VanDerWaalsContact C-N 3.3Å; H599-R601 PolarHBondContact O-N 2.77Å; H599-R601 VanDerWaalsContact O-N 3.12Å
600	A	30.6	Very low	46.9	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	72%	0.717	S	S	*	*			trans	-83.4	68.1	169.6	0	0	0	0	0	111.6	F598	F598-A600 PolarHBondContact O-N 3Å; F598-A600 VanDerWaalsContact O-N 3.16Å
601	R	34.6	Very low	44.1	Very low	241 Å²	241	142.5 Å²	142.5	91%	0.909	74%	0.736	S	S	*	*			trans	-107.6	87.3	161.5	-81	-168.2	178.3	-177.9	0.8	109.2	H599 G603	H599-R601 VanDerWaalsContact C-N 3.3Å; H599-R601 PolarHBondContact O-N 2.77Å; H599-R601 VanDerWaalsContact O-N 3.12Å; R601-G603 PolarHBondContact O-N 2.67Å
602	T	30.1	Very low	41.5	Very low	152 Å²	152	149.1 Å²	149.1	93%	0.933	76%	0.755	S	S	*	*			trans	-81.7	106.7	171.6	-54.1	0	0	0	0	108.8
603	G	30.8	Very low	39.1	Very low	64 Å²	64	149 Å²	149	66%	0.66	77%	0.768	S	S	*	*			trans	-169.1	94	-179.4	0	0	0	0	0	112.9	R601	R601-G603 PolarHBondContact O-N 2.67Å
604	M	31.9	Very low	36.9	Very low	183 Å²	183	155.5 Å²	155.5	90%	0.901	79%	0.794	S	S	*	*			trans	46	124	160.1	-56.2	-177.4	76	0	0	119.7
605	I	31.3	Very low	34.8	Very low	175 Å²	175	159.5 Å²	159.5	90%	0.897	81%	0.805	S	S	*	*				-170.9	139.6	128.5	-95.7	149.9	0	0	0	107.7
606	E	29.3	Very low	33.7	Very low	178 Å²	178	164.4 Å²	164.4	83%	0.832	82%	0.817	S	S	*	*			trans	-91.4	154.9	177.6	-68.1	-173.8	104.9	0	0	113.5
607	S	31.2	Very low	32.8	Very low	103 Å²	103	169.6 Å²	169.6	72%	0.72	83%	0.832	S	S	*	*			trans	77.7	139.9	153.2	83.4	0	0	0	0	120.7
608	N	31	Very low	32	Very low	148 Å²	148	166.2 Å²	166.2	79%	0.791	83%	0.83	S	S	*	*			trans	57.9	88.8	149.1	-64.7	-30.5	0	0	0	121.2
609	R	31.4	Very low	31.6	Very low	253 Å²	253	166.4 Å²	166.4	96%	0.955	83%	0.831	S	S	*	*				-170.9	107.3	109.8	-104.1	173	-179.3	-165.8	1.1	116.2
610	S	28.1	Very low	31.2	Very low	96 Å²	96	169.6 Å²	169.6	67%	0.671	84%	0.836	S	S	*	*			trans	2.3	133.6	141	-159.1	0	0	0	0	121.3
611	I	30.7	Very low	31.2	Very low	137 Å²	137	172.4 Å²	172.4	70%	0.703	84%	0.837	S	S	*	*			trans	72.3	140.5	142.6	-77.8	174.6	0	0	0	116.9
612	K	30.2	Very low	30.9	Very low	190 Å²	190	166.5 Å²	166.5	83%	0.826	83%	0.832	S	S	*	*			cis	-147.6	170.6	16.2	-140.1	152.2	-147.1	164.5	0	112.1
613	T	33.8	Very low	31	Very low	124 Å²	124	169.7 Å²	169.7	76%	0.761	83%	0.827	S	S	*	*			trans	-85.4	152.1	179.8	51.3	0	0	0	0	114.8
614	K	33.4	Very low	30.8	Very low	201 Å²	201	176.3 Å²	176.3	87%	0.874	84%	0.838	S	S	*	*			trans	-174.4	119.4	137.4	-103	156.9	-172	179.5	0	116.3
615	R	32.9	Very low	30.9	Very low	246 Å²	246	177.4 Å²	177.4	93%	0.928	84%	0.838	S	S	*	*			trans	22.6	128.9	146.6	-67.8	178.7	169.8	164.5	-3.3	122.1
616	K	37.8	Very low	30.9	Very low	206 Å²	206	174.1 Å²	174.1	90%	0.896	83%	0.828	S	S	*	*			trans	-43.9	147.3	153.5	-68.8	176.3	172.8	177.2	0	113.5
617	K	31.3	Very low	30.6	Very low	211 Å²	211	174.7 Å²	174.7	92%	0.917	83%	0.828	S	S	*	*			trans	-161.4	134.7	136.1	-117.6	177.4	-177.2	-174.4	0	114.1
618	S	28.4	Very low	30.3	Very low	108 Å²	108	179 Å²	179	76%	0.755	83%	0.83	S	S	*	*			trans	22.9	128.4	160.6	-150.1	0	0	0	0	122.3
619	F	29	Very low	30	Very low	203 Å²	203	181.2 Å²	181.2	89%	0.89	83%	0.833	S	S	*	*			trans	-63.1	153.8	148.6	-61.3	-96.4	0	0	0	111.4
620	R	27.1	Very low	29.7	Very low	243 Å²	243	174.3 Å²	174.3	92%	0.917	82%	0.823	S	S	*	*			trans	-151.5	144.2	136	-78.5	-153.8	-170.1	-151.5	5.7	109.2
621	L	31.6	Very low	29.6	Very low	159 Å²	159	177.3 Å²	177.3	83%	0.832	82%	0.824	S	S	*	*			trans	-87.7	146.3	171.9	-131.7	74.8	0	0	0	110.1
622	S	27.1	Very low	29.4	Very low	117 Å²	117	178 Å²	178	82%	0.818	82%	0.824	S	S	*	*			trans	-155.9	111.8	162.8	-173.4	0	0	0	0	110.3
623	R	32.6	Very low	29.2	Very low	219 Å²	219	177.2 Å²	177.2	83%	0.826	83%	0.829	S	S	*	*			trans	-90.6	144.8	171	-57.7	178.1	-173.4	166	0.9	109.1
624	K	26.9	Very low	28.8	Very low	203 Å²	203	180 Å²	180	88%	0.883	84%	0.836	S	S	*	*			trans	-165.7	105.5	154.1	-108.9	163.7	-173.8	-175.7	0	111.4
625	F	33.5	Very low	28.5	Very low	205 Å²	205	174.8 Å²	174.8	90%	0.899	83%	0.83	S	S	*	*			trans	-78.5	154.1	150.6	-79.9	-88.1	0	0	0	108.1
626	P	32	Very low	28.1	Very low	107 Å²	107	170.7 Å²	170.7	70%	0.695	82%	0.821	S	S	*	*				-155.6	155.1	94.6	39.3	-21	0	0	0	117.7
627	F	22.4	Very low	27.4	Very low	189 Å²	189	166.5 Å²	166.5	83%	0.829	81%	0.805	S	S	*	*			trans	61.4	159.8	142.7	-84.7	-122.3	0	0	0	120.8
628	Y	24.2	Very low	27	Very low	194 Å²	194	164.8 Å²	164.8	76%	0.761	80%	0.797	S	S	*	*			cis	-173.8	172.4	-32.1	-156.5	-98	0	0	0	109.3
629	K	24.5	Very low	26.7	Very low	195 Å²	195	163.9 Å²	163.9	85%	0.848	79%	0.791	S	S	*	*			trans	74.4	155.7	178.4	-52.1	-175.3	178.4	179.7	0	114.4
630	S	25.3	Very low	26.6	Very low	107 Å²	107	162.5 Å²	162.5	75%	0.748	79%	0.791	S	S	*	*			cis	-137.1	132	5.7	50.8	0	0	0	0	110.7
631	K	27.4	Very low	26.4	Very low	159 Å²	159	159.5 Å²	159.5	69%	0.691	79%	0.788	S	S	*	*				79.2	106.8	87.1	-156	-176.5	-165.6	-71.7	0	114.3
632	E	25.9	Very low	26.1	Very low	153 Å²	153	160.6 Å²	160.6	72%	0.715	79%	0.788	S	S	*	*			trans	45.7	126.8	145.5	-60.4	155.5	-140.1	0	0	121.2
633	N	25.3	Very low	26	Very low	173 Å²	173	164.4 Å²	164.4	93%	0.925	79%	0.793	S	S	*	*				-148.6	151.8	113.7	-139.4	-6.9	0	0	0	110.1
634	M	25.4	Very low	25.5	Very low	183 Å²	183	157.7 Å²	157.7	90%	0.901	79%	0.792	S	S	*	*			trans	-140.8	115.6	-174	-171.9	177.7	-174.1	0	0	112.4
635	A	27	Very low	25.4	Very low	91 Å²	91	154.7 Å²	154.7	75%	0.752	79%	0.79	S	S	*	*			trans	-147.4	121.9	157.9	0	0	0	0	0	105.9
636	Q	25.5	Very low	25	Very low	160 Å²	160	150.9 Å²	150.9	75%	0.748	78%	0.784	S	S	*	*				71.9	114.5	56.7	-165.9	169.1	0.5	0	0	109.8
637	E	23.5	Very low	24.8	Very low	117 Å²	117	151 Å²	151	55%	0.547	79%	0.788	S	S	.	*			cis	-159.8	155.3	11.9	-139.4	171	133.5	0	0	112.8
638	K	22.9	Very low	24.9	Very low	175 Å²	175	149.7 Å²	149.7	76%	0.761	79%	0.789	S	S	*	*			trans	59.8	151.3	155.6	-76.5	152.5	175.9	161.5	0	118.8
639	S	22.6	Very low	25	Very low	90 Å²	90	147.4 Å²	147.4	63%	0.629	80%	0.796	S	S	*	*			cis	-171.5	154.3	-16.6	49.2	0	0	0	0	110.9
640	I	25	Very low	25	Very low	174 Å²	174	142.6 Å²	142.6	89%	0.892	79%	0.787	S	S	*	*			trans	72.9	152.9	169	-59.2	158.4	0	0	0	113.6
641	Q	24.7	Very low	25.1	Very low	179 Å²	179	145.4 Å²	145.4	84%	0.836	79%	0.793	S	S	*	*			trans	-135.3	108.6	-160.1	-172.9	174.7	20.7	0	0	111.3
642	E	23.8	Very low	25.1	Very low	182 Å²	182	142.3 Å²	142.3	85%	0.85	79%	0.792	S	S	*	*			trans	-73.7	140.6	166	-56.8	180	126.9	0	0	108.3
643	Q	25.1	Very low	25.3	Very low	198 Å²	198	143.5 Å²	143.5	93%	0.925	80%	0.797	S	S	*	*				57.2	110.5	58.9	-69.1	-158.1	-4.8	0	0	113.8
644	G	23.2	Very low	25.3	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	79%	0.785	S	S	*	*			trans	-171.3	84.1	-175.3	0	0	0	0	0	113.7
645	V	24.7	Very low	25.6	Very low	139 Å²	139	136.7 Å²	136.7	84%	0.842	78%	0.781	S	S	*	*			trans	-46.8	155.7	160.7	-86	0	0	0	0	112.7
646	T	25.4	Very low	25.7	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	78%	0.775	S	S	*	*			cis	-146.7	-170.8	10.6	-6.1	0	0	0	0	107.9
647	S	26.2	Very low	26	Very low	109 Å²	109	138.5 Å²	138.5	76%	0.762	78%	0.781	S	S	*	*			cis	-160	174.6	17.8	-2.5	0	0	0	0	110.8
648	N	24.6	Very low	26.4	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	79%	0.791	S	S	*	*			trans	-88.1	138.9	-175.2	-53.6	-21.4	0	0	0	114.7
649	T	26.1	Very low	27	Very low	146 Å²	146	136.3 Å²	136.3	90%	0.896	79%	0.793	S	S	*	*			trans	-144.7	149.9	131.9	41.2	0	0	0	0	109.7
650	S	26.2	Very low	28.1	Very low	94 Å²	94	139.5 Å²	139.5	66%	0.657	80%	0.798	S	S	*	*			trans	-82.9	140.2	-173.3	172.9	0	0	0	0	112.8
651	D	26.3	Very low	29.7	Very low	165 Å²	165	136.6 Å²	136.6	88%	0.882	78%	0.784	S	S	*	*				-148.2	144.9	118.4	-117.2	-19.2	0	0	0	111.8
652	S	26.8	Very low	31.8	Very low	95 Å²	95	131 Å²	131	66%	0.664	77%	0.768	S	S	*	*			trans	-105.4	79.4	-160.8	-67.5	0	0	0	0	114.3	S654	S652-S654 PolarHBondContact O-N 2.82Å
653	E	30.6	Very low	34.7	Very low	178 Å²	178	123.5 Å²	123.5	83%	0.832	73%	0.734	S	S	*	*			trans	-71.1	70.5	164.3	-81.8	-96	108.2	0	0	110.5
654	S	25.5	Very low	37.9	Very low	95 Å²	95	116.7 Å²	116.7	66%	0.664	70%	0.704	S	S	*	*			trans	-85.5	125.1	178.4	64.3	0	0	0	0	112.2	S652 S656	S652-S654 PolarHBondContact O-N 2.82Å; S654-S656 PolarHBondContact O-N 3.36Å
655	S	31	Very low	41.3	Very low	118 Å²	118	113.3 Å²	113.3	83%	0.825	67%	0.668	S	S	*	*			trans	69.7	23.1	156.5	-53	0	0	0	0	119.1	K657	S655-K657 PolarHBondContact O-N 2.85Å; S655-K657 VanDerWaalsContact O-N 3.15Å
656	S	30.6	Very low	44.6	Very low	88 Å²	88	107 Å²	107	62%	0.615	63%	0.629	S	S	*	*			trans	-83.7	48	164.9	54.5	0	0	0	0	112.9	S654 G658	S654-S656 PolarHBondContact O-N 3.36Å; S656-G658 PolarHBondContact O-N 3.38Å
657	K	31.9	Very low	47.9	Very low	201 Å²	201	102.8 Å²	102.8	87%	0.874	60%	0.6	S	S	*	*			trans	-59.2	110.7	167.4	-84.5	-173.2	177.1	178.9	0	107.8	S655 Q659	S655-K657 PolarHBondContact O-N 2.85Å; S655-K657 VanDerWaalsContact O-N 3.15Å; K657-Q659 PolarHBondContact O-N 2.91Å; K657-Q659 VanDerWaalsContact O-N 3.11Å
658	G	31.6	Very low	51.1	Low	74 Å²	74	98.4 Å²	98.4	76%	0.763	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-55.5	116.2	-165.5	0	0	0	0	0	113.3	S656 E660	S656-G658 PolarHBondContact O-N 3.38Å; G658-E660 PolarHBondContact O-N 3.39Å
659	Q	35.2	Very low	54.5	Low	171 Å²	171	91 Å²	91	80%	0.799	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-59.8	118.1	145.7	-69.9	176	-73.2	0	0	106.3	K657 D661	K657-Q659 PolarHBondContact O-N 2.91Å; K657-Q659 VanDerWaalsContact O-N 3.11Å; Q659-D661 PolarHBondContact O-N 2.98Å
660	E	46.7	Very low	57.7	Low	158 Å²	158	87 Å²	87	74%	0.738	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-59.4	132.9	147.2	-63.1	-159	142.2	0	0	106.3	G658 A662	G658-E660 PolarHBondContact O-N 3.39Å; E660-A662 PolarHBondContact O-N 2.92Å
661	D	57.8	Low	60.8	Low	112 Å²	112	90.1 Å²	90.1	60%	0.599	50%	0.503	S	S	*	.			trans	-48.7	113.7	-177.9	-65.3	-63.6	0	0	0	109.7	L593 Q659 I663	L593-D661 HydrophobicContact CD1-CB 4.26Å; Q659-D661 PolarHBondContact O-N 2.98Å; D661-I663 WeakPolarHBondContact O-CG1 3.22Å; D661-I663 PolarHBondContact O-N 2.95Å
662	A	67.6	Low	64	Low	61 Å²	61	85.3 Å²	85.3	50%	0.504	48%	0.475	S	S	.	.			trans	-67.5	105.7	-170.5	0	0	0	0	0	109.9	E660 L664	E660-A662 PolarHBondContact O-N 2.92Å; A662-L664 PolarHBondContact O-N 2.8Å; A662-L664 VanDerWaalsContact O-N 3.13Å
663	I	86.5	Confident	67.3	Low	26 Å²	26	85 Å²	85	13%	0.133	46%	0.463	C	S	.	.			trans	-80.4	103.6	-174.5	-56.6	-177.9	0	0	0	110	E586 E589 R590 D661 S665	E586-I663 HydrophobicContact CG-CB 4.16Å; E586-I663 HydrophobicContact CG-CD1 4.47Å; E586-I663 HydrophobicContact CG-CG2 4.16Å; E589-I663 HydrophobicContact CB-CG2 3.86Å; E589-I663 HydrophobicContact CG-CG2 3.82Å; R590-I663 HydrophobicContact CB-CD1 3.66Å; R590-I663 HydrophobicContact CG-CD1 4.26Å; D661-I663 WeakPolarHBondContact O-CG1 3.22Å; D661-I663 PolarHBondContact O-N 2.95Å; I663-S665 PolarHBondContact O-N 2.84Å; I663-S665 VanDerWaalsContact O-N 3.11Å; I663-S665 PolarHBondContact O-OG 2.93Å; I663-S665 VanDerWaalsContact O-OG 3.05Å
664	L	91.8	Very high	70.4	Confident	54 Å²	54	77 Å²	77	28%	0.283	43%	0.426	S	S	.	.			trans	-50.1	116.9	167.3	-57.5	-175.9	0	0	0	109.7	L527 A662 E829	L527-L664 HydrophobicContact CB-CB 3.95Å; L527-L664 HydrophobicContact CB-CD2 4.42Å; L527-L664 HydrophobicContact CD1-CD2 4.24Å; L527-L664 WeakPolarHBondContact O-CB 3.31Å; A662-L664 PolarHBondContact O-N 2.8Å; A662-L664 VanDerWaalsContact O-N 3.13Å; L664-E829 HydrophobicContact CD2-CB 3.86Å
665	S	93.8	Very high	73.7	Confident	7 Å²	7	79.8 Å²	79.8	5%	0.049	43%	0.428	C	S	.	.			trans	-147.7	-92.1	-175.8	49.9	0	0	0	0	109.4	L527 F528 I663	L527-S665 PolarHBondContact N-O 2.91Å; F528-S665 WeakPolarHBondContact CD1-O 3.22Å; F528-S665 VanDerWaalsContact CE1-O 3.25Å; F528-S665 WeakPolarHBondContact CE1-O 3.37Å; I663-S665 PolarHBondContact O-N 2.84Å; I663-S665 VanDerWaalsContact O-N 3.11Å; I663-S665 PolarHBondContact O-OG 2.93Å; I663-S665 VanDerWaalsContact O-OG 3.05Å
666	Y	95.1	Very high	76.8	Confident	8 Å²	8	76 Å²	76	3%	0.031	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.3	175.7	-58.4	-74.3	0	0	0	110.5	V524 R525 F528 F545 L551 W562 I579 P580 K582 V585 L867	V524-Y666 HydrophobicContact CG2-CD1 3.77Å; V524-Y666 HydrophobicContact CG2-CE1 4.47Å; V524-Y666 HydrophobicContact CG2-CG 4.22Å; R525-Y666 WeakPolarHBondContact O-CA 3.37Å; F528-Y666 HydrophobicContact CE1-CD1 4.33Å; F528-Y666 AromaticContact CE1-CE1 3.88Å; F528-Y666 HydrophobicContact CE1-CE1 3.88Å; F528-Y666 HydrophobicContact CE1-CE2 4.16Å; F528-Y666 AromaticContact CE1-CZ 3.82Å; F528-Y666 HydrophobicContact CZ-CE1 4.21Å; F528-Y666 HydrophobicContact CZ-CE2 4.35Å; F528-Y666 AromaticContact CZ-CZ 3.84Å; F545-Y666 HydrophobicContact CE2-CE1 4.18Å; F545-Y666 AromaticContact CZ-CE1 3.85Å; F545-Y666 HydrophobicContact CZ-CE1 3.85Å; F545-Y666 WeakPolarHBondContact CZ-OH 3.07Å; L551-Y666 HydrophobicContact CD1-CE1 3.95Å; W562-Y666 HydrophobicContact CE3-CE2 4.39Å; W562-Y666 AromaticContact CZ3-CD2 3.92Å; W562-Y666 HydrophobicContact CZ3-CD2 3.92Å; W562-Y666 HydrophobicContact CZ3-CE2 4.17Å; W562-Y666 HydrophobicContact CZ3-CG 4.49Å; I579-Y666 HydrophobicContact CD1-CE1 4.32Å; P580-Y666 VanDerWaalsContact O-CE2 3.25Å; P580-Y666 WeakPolarHBondContact O-CE2 3.33Å; P580-Y666 PolarHBondContact O-OH 2.89Å; K582-Y666 HydrophobicContact CB-CD2 3.94Å; V585-Y666 HydrophobicContact CG2-CE2 4.23Å; Y666-L867 WeakPolarHBondContact O-CD1 3.36Å
667	E	94.1	Very high	80	Confident	36 Å²	36	72.6 Å²	72.6	17%	0.168	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.4	169.8	175	-174.9	-127.9	0	0	108.4	V524 R525 L527 V669 P862	V524-E667 CarbonylContact C-O 3.51Å; V524-E667 WeakPolarHBondContact CA-O 3.42Å; V524-E667 WeakPolarHBondContact CB-O 3.37Å; R525-E667 HydrophobicContact CB-CB 4.35Å; R525-E667 IonicContact CZ-OE2 3.89Å; R525-E667 PolarHBondContact N-O 3.23Å; R525-E667 IonicContact NE-OE2 2.64Å; R525-E667 IonicContact NH1-OE2 3.14Å; R525-E667 PolarHBondContact NH1-OE2 3.41Å; R525-E667 PolarHBondContact O-N 3.05Å; L527-E667 HydrophobicContact CD1-CB 4.17Å; L527-E667 HydrophobicContact CG-CB 4.42Å; E667-V669 HydrophobicContact CG-CG1 4.37Å; E667-P862 HydrophobicContact CG-CB 4.44Å; E667-P862 WeakPolarHBondContact OE1-CB 3.29Å; E667-P862 VanDerWaalsContact OE1-CG 3.23Å; E667-P862 WeakPolarHBondContact OE1-CG 3.29Å
668	P	94.3	Very high	83.1	Confident	18 Å²	18	63.5 Å²	63.5	12%	0.117	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138	173	29	-29.9	0	0	0	109.7	S863 E865 L867	P668-S863 WeakPolarHBondContact O-CB 3.3Å; P668-S863 PolarHBondContact O-N 3.1Å; P668-E865 WeakPolarHBondContact CG-O 3.27Å; P668-L867 HydrophobicContact CB-CD1 4.28Å; P668-L867 HydrophobicContact CB-CD2 4.12Å; P668-L867 HydrophobicContact CB-CG 3.87Å; P668-L867 HydrophobicContact CG-CD1 4.42Å; P668-L867 HydrophobicContact CG-CG 3.97Å
669	V	94.5	Very high	86.3	Confident	6 Å²	6	60 Å²	60	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.9	-176.6	-66.6	0	0	0	0	112.3	Y523 R525 I550 E667 W860 V861	Y523-V669 PolarHBondContact O-N 2.69Å; R525-V669 HydrophobicContact CB-CG1 3.89Å; I550-V669 HydrophobicContact CD1-CG2 4.41Å; I550-V669 HydrophobicContact CG2-CG2 4.26Å; E667-V669 HydrophobicContact CG-CG1 4.37Å; V669-W860 HydrophobicContact CB-CB 4.43Å; V669-W860 HydrophobicContact CB-CE3 4.26Å; V669-W860 HydrophobicContact CG2-CB 4.47Å; V669-W860 HydrophobicContact CG2-CD2 4.41Å; V669-W860 HydrophobicContact CG2-CE3 3.7Å; V669-W860 HydrophobicContact CG2-CZ3 4.36Å; V669-V861 CarbonylContact C-O 3.49Å; V669-V861 WeakPolarHBondContact CA-O 3.32Å; V669-V861 VanDerWaalsContact CB-O 3.31Å; V669-V861 WeakPolarHBondContact CB-O 3.43Å
670	T	93.4	Very high	89.3	Confident	61 Å²	61	51.9 Å²	51.9	37%	0.374	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155.7	169.4	52.8	0	0	0	0	110.2	W860 V861	T670-W860 WeakPolarHBondContact O-CA 3.16Å; T670-V861 PolarHBondContact N-O 3Å; T670-V861 PolarHBondContact O-N 3.12Å
671	R	92.6	Very high	91.7	Very high	161 Å²	161	44.3 Å²	44.3	61%	0.608	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	176.5	-159.5	179.3	76.4	-176.9	4.7	109.7	I859 W860	R671-I859 CarbonylContact C-O 3.44Å; R671-I859 WeakPolarHBondContact CA-O 3.24Å; R671-W860 HydrophobicContact CB-CD2 4.38Å; R671-W860 HydrophobicContact CB-CE3 4.03Å; R671-W860 HydrophobicContact CB-CH2 3.94Å; R671-W860 HydrophobicContact CB-CZ2 4.26Å; R671-W860 HydrophobicContact CB-CZ3 3.8Å; R671-W860 HydrophobicContact CG-CD2 4.42Å; R671-W860 HydrophobicContact CG-CH2 4.37Å; R671-W860 HydrophobicContact CG-CZ2 4.19Å
672	Q	93.7	Very high	93.7	Very high	63 Å²	63	39.1 Å²	39.1	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.3	178.7	-180	172.2	3.8	0	0	109.8	I859 V861	Q672-I859 HydrophobicContact CB-CG1 4.24Å; Q672-I859 PolarHBondContact N-O 2.93Å; Q672-I859 WeakPolarHBondContact O-CG1 3.35Å; Q672-I859 PolarHBondContact O-N 3.31Å; Q672-V861 HydrophobicContact CB-CG1 4.23Å; Q672-V861 HydrophobicContact CB-CG2 4.01Å
673	E	95	Very high	95.1	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.4	170.3	-164.9	168.9	158.1	0	0	110.5	H675 H857 Y858	E673-H675 IonicContact OE1-CE1 3.2Å; E673-H675 PolarHBondContact OE1-CE1 2.95Å; E673-H857 CarbonylContact C-O 3.58Å; E673-H857 WeakPolarHBondContact CA-O 3.41Å; E673-Y858 HydrophobicContact CB-CD1 4Å; E673-Y858 HydrophobicContact CB-CE1 3.7Å; E673-Y858 VanDerWaalsContact CD-OH 3.27Å; E673-Y858 HydrophobicContact CG-CD1 4.12Å; E673-Y858 HydrophobicContact CG-CE1 3.64Å; E673-Y858 WeakPolarHBondContact OE2-CE1 3.48Å; E673-Y858 PolarHBondContact OE2-OH 2.66Å
674	I	95.3	Very high	95.6	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.046	18%	0.176	C	C	.	.			trans	-134.2	149.9	177.8	57.7	160.8	0	0	0	111.4	Y676 R678 H857 I859	I674-Y676 HydrophobicContact CB-CD1 4.08Å; I674-Y676 HydrophobicContact CB-CE1 3.74Å; I674-Y676 HydrophobicContact CD1-CD2 4.37Å; I674-Y676 HydrophobicContact CD1-CE1 4.28Å; I674-Y676 HydrophobicContact CD1-CE2 3.93Å; I674-Y676 HydrophobicContact CG2-CD1 4.48Å; I674-Y676 HydrophobicContact CG2-CE1 3.68Å; I674-R678 HydrophobicContact CD1-CG 3.54Å; I674-H857 WeakPolarHBondContact CG1-O 3.38Å; I674-H857 PolarHBondContact N-O 3.15Å; I674-H857 PolarHBondContact O-CD2 3.3Å; I674-I859 HydrophobicContact CD1-CD1 4.16Å; I674-I859 HydrophobicContact CD1-CG1 4.44Å; I674-I859 HydrophobicContact CD1-CG2 3.66Å; I674-I859 HydrophobicContact CG1-CD1 4.39Å; I674-I859 HydrophobicContact CG1-CG1 4.31Å; I674-I859 HydrophobicContact CG1-CG2 3.96Å; I674-I859 HydrophobicContact CG2-CD1 3.68Å; I674-I859 HydrophobicContact CG2-CG1 4.04Å
675	H	95.1	Very high	95.7	Very high	153 Å²	153	34 Å²	34	71%	0.708	17%	0.165	S	C	*	.	S	Bend	trans	-119.1	36.6	-179.9	-50.2	-57.5	0	0	0	112.2	E673	E673-H675 IonicContact OE1-CE1 3.2Å; E673-H675 PolarHBondContact OE1-CE1 2.95Å
676	Y	95.7	Very high	95.6	Very high	40 Å²	40	35.5 Å²	35.5	16%	0.157	17%	0.172	C	C	.	.	S	Bend	trans	-142	150.4	177.4	65.8	-99.2	0	0	0	110.6	I674 R678 A763 Q785 L786 Y787	I674-Y676 HydrophobicContact CB-CD1 4.08Å; I674-Y676 HydrophobicContact CB-CE1 3.74Å; I674-Y676 HydrophobicContact CD1-CD2 4.37Å; I674-Y676 HydrophobicContact CD1-CE1 4.28Å; I674-Y676 HydrophobicContact CD1-CE2 3.93Å; I674-Y676 HydrophobicContact CG2-CD1 4.48Å; I674-Y676 HydrophobicContact CG2-CE1 3.68Å; Y676-R678 HydrophobicContact CE2-CG 4.21Å; Y676-R678 PolarHBondContact O-N 2.88Å; Y676-A763 HydrophobicContact CD2-CB 4.11Å; Y676-A763 HydrophobicContact CG-CB 4.49Å; Y676-Q785 PolarHBondContact OH-O 2.91Å; Y676-L786 HydrophobicContact CD1-CD2 4.48Å; Y676-L786 HydrophobicContact CD2-CD2 4.4Å; Y676-L786 HydrophobicContact CE1-CD2 4.35Å; Y676-L786 HydrophobicContact CE2-CD2 4.3Å; Y676-Y787 PolarHBondContact OH-N 3.37Å
677	A	97.5	Very high	95.6	Very high	16 Å²	16	36.6 Å²	36.6	13%	0.132	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-75.9	119.4	174.1	0	0	0	0	0	110.4	A763 G766 K767	A677-A763 PolarHBondContact N-O 2.85Å; A677-A763 WeakPolarHBondContact O-CA 3.31Å; A677-A763 WeakPolarHBondContact O-CB 3.35Å; A677-G766 VanDerWaalsContact CB-C 3.45Å; A677-K767 WeakPolarHBondContact CB-O 3.39Å
678	R	97.7	Very high	95.7	Very high	10 Å²	10	38.8 Å²	38.8	4%	0.038	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-59.5	133.9	-171.5	-64.1	170.1	73.3	-176.5	-5.9	112.2	I674 Y676 H768 Y787 P788 I789 Q854	I674-R678 HydrophobicContact CD1-CG 3.54Å; Y676-R678 HydrophobicContact CE2-CG 4.21Å; Y676-R678 PolarHBondContact O-N 2.88Å; R678-H768 PolarHBondContact O-ND1 2.78Å; R678-Y787 PolarHBondContact NE-O 2.96Å; R678-P788 PolarHBondContact NH2-O 2.9Å; R678-I789 HydrophobicContact CB-CD1 3.98Å; R678-I789 HydrophobicContact CB-CG1 3.87Å; R678-Q854 VanDerWaalsContact CD-O 3.23Å; R678-Q854 WeakPolarHBondContact CD-O 3.42Å; R678-Q854 PolarHBondContact NH1-O 3.26Å
679	P	98.1	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-58.6	148.2	169.2	-21.7	33.4	0	0	0	111.3	V759 C769 L771 P788 I789	P679-V759 HydrophobicContact CB-CG1 3.87Å; P679-V759 HydrophobicContact CG-CG1 3.48Å; P679-V759 VanDerWaalsContact CG-CG1 3.48Å; P679-C769 CarbonylContact C-O 3.59Å; P679-C769 WeakPolarHBondContact CA-O 3.5Å; P679-C769 HydrophobicContact CB-CB 4.25Å; P679-L771 HydrophobicContact CB-CD1 3.88Å; P679-P788 HydrophobicContact CB-CB 4.37Å; P679-P788 CarbonylContact O-C 3.5Å; P679-P788 WeakPolarHBondContact O-CA 3.43Å; P679-P788 WeakPolarHBondContact O-CB 3.4Å; P679-I789 PolarHBondContact O-N 2.98Å
680	V	98.5	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.4	-178.6	172.6	0	0	0	0	108.8	I682 H768 C769 I770 L771 I789 I851	V680-I682 HydrophobicContact CG1-CD1 4.16Å; V680-I682 HydrophobicContact CG1-CG1 3.89Å; V680-H768 HydrophobicContact CG2-CB 3.99Å; V680-C769 PolarHBondContact N-O 2.86Å; V680-I770 HydrophobicContact CB-CD1 4.01Å; V680-I770 HydrophobicContact CG1-CD1 3.94Å; V680-L771 PolarHBondContact O-N 2.96Å; V680-I789 WeakPolarHBondContact CA-O 3.36Å; V680-I789 HydrophobicContact CG2-CB 4.25Å; V680-I789 HydrophobicContact CG2-CD1 4.13Å; V680-I851 HydrophobicContact CG1-CD1 3.93Å; V680-I851 HydrophobicContact CG1-CG1 4.36Å; V680-I851 HydrophobicContact CG2-CD1 4.33Å; V680-I851 HydrophobicContact CG2-CG1 4.28Å; V680-I851 HydrophobicContact CG2-CG2 4.38Å
681	I	98.3	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.4	175.9	-71.5	169.7	0	0	0	107.6	L683 L771 V773 A777 I778 L781 P788 I789 A790 I791	I681-L683 HydrophobicContact CG2-CD1 4.13Å; I681-L683 HydrophobicContact CG2-CD2 4.32Å; I681-L683 HydrophobicContact CG2-CG 3.89Å; I681-L771 HydrophobicContact CD1-CD1 4.21Å; I681-L771 HydrophobicContact CG1-CB 3.87Å; I681-L771 HydrophobicContact CG1-CD1 4.02Å; I681-V773 HydrophobicContact CD1-CG2 3.83Å; I681-V773 HydrophobicContact CG1-CG2 3.9Å; I681-V773 HydrophobicContact CG2-CG2 4.43Å; I681-A777 HydrophobicContact CD1-CB 4.38Å; I681-I778 HydrophobicContact CD1-CG1 3.83Å; I681-I778 HydrophobicContact CG2-CG1 4.33Å; I681-L781 HydrophobicContact CD1-CD1 3.66Å; I681-P788 HydrophobicContact CD1-CB 4.37Å; I681-I789 PolarHBondContact N-O 3.33Å; I681-A790 WeakPolarHBondContact O-CA 3.25Å; I681-I791 PolarHBondContact O-N 3.02Å
682	I	98.4	Very high	96.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.7	178.5	-54.2	-175	0	0	0	108.8	V680 K687 V690 L694 I791 I793 I847	V680-I682 HydrophobicContact CG1-CD1 4.16Å; V680-I682 HydrophobicContact CG1-CG1 3.89Å; I682-K687 HydrophobicContact CB-CB 4.37Å; I682-K687 HydrophobicContact CG2-CB 3.95Å; I682-K687 WeakPolarHBondContact O-CB 3.37Å; I682-K687 VanDerWaalsContact O-CD 3.23Å; I682-K687 WeakPolarHBondContact O-CD 3.39Å; I682-V690 HydrophobicContact CD1-CB 4.5Å; I682-V690 HydrophobicContact CD1-CG1 3.53Å; I682-L694 HydrophobicContact CD1-CD1 3.86Å; I682-I791 WeakPolarHBondContact CA-O 3.34Å; I682-I793 HydrophobicContact CG2-CD1 3.72Å; I682-I793 HydrophobicContact CG2-CG1 4.15Å; I682-I847 HydrophobicContact CD1-CG2 3.84Å; I682-I847 HydrophobicContact CG2-CD1 4.4Å
683	L	97.9	Very high	96.3	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.6	-176.1	-67.8	170.3	0	0	0	110.9	I681 I778 I791 F792 I793 F831	I681-L683 HydrophobicContact CG2-CD1 4.13Å; I681-L683 HydrophobicContact CG2-CD2 4.32Å; I681-L683 HydrophobicContact CG2-CG 3.89Å; L683-I778 HydrophobicContact CD1-CD1 4.02Å; L683-I791 PolarHBondContact N-O 3.02Å; L683-F792 HydrophobicContact CB-CD2 4.16Å; L683-I793 PolarHBondContact O-N 2.75Å; L683-F831 HydrophobicContact CD1-CE1 3.82Å
684	G	95.9	Very high	96.5	Very high	17 Å²	17	34.4 Å²	34.4	18%	0.175	17%	0.169	C	C	.	.	S	Bend	trans	102.2	-164.5	-180	0	0	0	0	0	113.7
685	P	94.5	Very high	96.5	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.058	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	149	-177.3	-17.7	33	0	0	0	112.4	K687 I793 P795 L801 I816 A820	P685-K687 PolarHBondContact O-N 2.83Å; P685-K687 VanDerWaalsContact O-N 3.09Å; P685-I793 WeakPolarHBondContact CD-O 3.45Å; P685-I793 VanDerWaalsContact O-CD1 3.28Å; P685-I793 WeakPolarHBondContact O-CD1 3.5Å; P685-P795 HydrophobicContact CG-CB 4.36Å; P685-P795 HydrophobicContact CG-CG 4.26Å; P685-L801 HydrophobicContact CB-CD2 3.52Å; P685-L801 HydrophobicContact CG-CD2 3.69Å; P685-I816 HydrophobicContact CB-CG2 3.85Å; P685-I816 HydrophobicContact CG-CG2 3.73Å; P685-A820 HydrophobicContact CG-CB 4.44Å
686	M	92.4	Very high	96.6	Very high	38 Å²	38	33 Å²	33	19%	0.187	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	8.7	177.3	-52.4	-70.7	89.9	0	0	116.1	D688 R689 V690 L840	M686-D688 PolarHBondContact O-N 2.74Å; M686-D688 VanDerWaalsContact O-N 3.12Å; M686-R689 PolarHBondContact O-N 2.59Å; M686-V690 PolarHBondContact O-N 3.29Å; M686-L840 HydrophobicContact CB-CD1 3.75Å; M686-L840 HydrophobicContact CG-CD1 4.21Å
687	K	95.1	Very high	96.7	Very high	32 Å²	32	35.6 Å²	35.6	14%	0.139	19%	0.187	C	C	.	.	H	α-helix	trans	-51.7	-37.4	179.9	69.1	164.4	-171.2	63.8	0	113.6	I682 P685 V690 N691 D772	I682-K687 HydrophobicContact CB-CB 4.37Å; I682-K687 HydrophobicContact CG2-CB 3.95Å; I682-K687 WeakPolarHBondContact O-CB 3.37Å; I682-K687 VanDerWaalsContact O-CD 3.23Å; I682-K687 WeakPolarHBondContact O-CD 3.39Å; P685-K687 PolarHBondContact O-N 2.83Å; P685-K687 VanDerWaalsContact O-N 3.09Å; K687-V690 PolarHBondContact O-N 2.75Å; K687-N691 VanDerWaalsContact O-CG 3.28Å; K687-N691 PolarHBondContact O-N 3.5Å; K687-N691 PolarHBondContact O-OD1 2.87Å; K687-D772 VanDerWaalsContact CE-OD1 3.27Å; K687-D772 WeakPolarHBondContact CE-OD1 3.2Å; K687-D772 IonicContact NZ-OD1 3.28Å; K687-D772 PolarHBondContact NZ-OD1 3.36Å; K687-D772 IonicContact NZ-OD2 3.89Å; K687-D772 PolarHBondContact NZ-OD2 3.46Å
688	D	94.8	Very high	96.6	Very high	82 Å²	82	37.7 Å²	37.7	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-65.6	-50.8	-170.5	-40.8	-74.3	0	0	0	109.7	M686 V690 N691 D692	M686-D688 PolarHBondContact O-N 2.74Å; M686-D688 VanDerWaalsContact O-N 3.12Å; D688-V690 VanDerWaalsContact C-N 3.33Å; D688-V690 PolarHBondContact O-N 3.36Å; D688-N691 WeakPolarHBondContact O-CB 3.17Å; D688-N691 PolarHBondContact O-N 2.75Å; D688-N691 VanDerWaalsContact O-N 3.16Å; D688-D692 PolarHBondContact O-N 3.25Å
689	R	95.2	Very high	96.6	Very high	143 Å²	143	40.8 Å²	40.8	54%	0.54	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-37	176	176.7	167.8	170.7	-168.8	0.4	112.4	M686 N691 D692 D693 L840	M686-R689 PolarHBondContact O-N 2.59Å; R689-N691 VanDerWaalsContact C-N 3.35Å; R689-D692 PolarHBondContact O-N 3.11Å; R689-D693 VanDerWaalsContact CG-OD2 3.29Å; R689-D693 WeakPolarHBondContact CG-OD2 3.4Å; R689-D693 IonicContact NE-OD2 3.36Å; R689-D693 PolarHBondContact NE-OD2 2.87Å; R689-D693 VanDerWaalsContact O-CB 3.23Å; R689-D693 WeakPolarHBondContact O-CB 3.47Å; R689-D693 PolarHBondContact O-N 3.15Å; R689-L840 HydrophobicContact CG-CD2 4.26Å
690	V	97	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-41	174.9	173	0	0	0	0	111	I682 M686 K687 D688 L694 I793 L840 Y844 I847	I682-V690 HydrophobicContact CD1-CB 4.5Å; I682-V690 HydrophobicContact CD1-CG1 3.53Å; M686-V690 PolarHBondContact O-N 3.29Å; K687-V690 PolarHBondContact O-N 2.75Å; D688-V690 VanDerWaalsContact C-N 3.33Å; D688-V690 PolarHBondContact O-N 3.36Å; V690-L694 HydrophobicContact CG1-CD1 4.14Å; V690-L694 HydrophobicContact CG1-CG 4.38Å; V690-L694 WeakPolarHBondContact O-CB 3.25Å; V690-L694 VanDerWaalsContact O-CG 3.23Å; V690-L694 WeakPolarHBondContact O-CG 3.25Å; V690-L694 PolarHBondContact O-N 3.44Å; V690-I793 HydrophobicContact CG2-CD1 4.33Å; V690-L840 HydrophobicContact CG2-CD1 4.03Å; V690-Y844 HydrophobicContact CG1-CD2 4.08Å; V690-Y844 HydrophobicContact CG1-CE2 4.46Å; V690-Y844 HydrophobicContact CG2-CD2 4.44Å; V690-I847 HydrophobicContact CG1-CD1 3.85Å; V690-I847 HydrophobicContact CG1-CG2 4.04Å; V690-I847 HydrophobicContact CG2-CD1 4.35Å
691	N	97.1	Very high	96.4	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-47.3	175.2	-70.3	-11.9	0	0	0	111.2	K687 D688 R689 L694 I695 I770	K687-N691 VanDerWaalsContact O-CG 3.28Å; K687-N691 PolarHBondContact O-N 3.5Å; K687-N691 PolarHBondContact O-OD1 2.87Å; D688-N691 WeakPolarHBondContact O-CB 3.17Å; D688-N691 PolarHBondContact O-N 2.75Å; D688-N691 VanDerWaalsContact O-N 3.16Å; R689-N691 VanDerWaalsContact C-N 3.35Å; N691-L694 PolarHBondContact O-N 3.38Å; N691-I695 WeakPolarHBondContact O-CD1 3.11Å; N691-I695 VanDerWaalsContact O-CG1 3.27Å; N691-I695 WeakPolarHBondContact O-CG1 3.46Å; N691-I695 PolarHBondContact O-N 2.95Å; N691-I770 HydrophobicContact CB-CG2 3.77Å
692	D	96.5	Very high	96.4	Very high	106 Å²	106	49.5 Å²	49.5	57%	0.567	25%	0.254	S	S	*	.	H	α-helix	trans	-62.9	-46.4	178.5	-65.5	-27.6	0	0	0	112.1	D688 R689 I695 S696	D688-D692 PolarHBondContact O-N 3.25Å; R689-D692 PolarHBondContact O-N 3.11Å; D692-I695 PolarHBondContact O-N 3.39Å; D692-S696 WeakPolarHBondContact O-CB 3.36Å; D692-S696 PolarHBondContact O-N 3.12Å; D692-S696 PolarHBondContact O-OG 3.07Å
693	D	97.3	Very high	96.3	Very high	49 Å²	49	50 Å²	50	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-42.3	178.6	-71.5	-22	0	0	0	110	R689 S696 E697 Y844	R689-D693 VanDerWaalsContact CG-OD2 3.29Å; R689-D693 WeakPolarHBondContact CG-OD2 3.4Å; R689-D693 IonicContact NE-OD2 3.36Å; R689-D693 PolarHBondContact NE-OD2 2.87Å; R689-D693 VanDerWaalsContact O-CB 3.23Å; R689-D693 WeakPolarHBondContact O-CB 3.47Å; R689-D693 PolarHBondContact O-N 3.15Å; D693-S696 PolarHBondContact O-OG 3.36Å; D693-E697 VanDerWaalsContact O-CB 3.23Å; D693-E697 WeakPolarHBondContact O-CB 3.37Å; D693-E697 PolarHBondContact O-N 3.36Å; D693-Y844 VanDerWaalsContact C-OH 3.28Å; D693-Y844 HydrophobicContact CB-CD2 4.4Å; D693-Y844 HydrophobicContact CB-CE2 3.67Å; D693-Y844 PolarHBondContact O-OH 3.06Å
694	L	97.6	Very high	96.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-47	175.9	-75.7	176.2	0	0	0	113	I682 V690 N691 F698 F702 I770 Y844 I847 K848 I851	I682-L694 HydrophobicContact CD1-CD1 3.86Å; V690-L694 HydrophobicContact CG1-CD1 4.14Å; V690-L694 HydrophobicContact CG1-CG 4.38Å; V690-L694 WeakPolarHBondContact O-CB 3.25Å; V690-L694 VanDerWaalsContact O-CG 3.23Å; V690-L694 WeakPolarHBondContact O-CG 3.25Å; V690-L694 PolarHBondContact O-N 3.44Å; N691-L694 PolarHBondContact O-N 3.38Å; L694-F698 PolarHBondContact O-N 2.97Å; L694-F698 VanDerWaalsContact O-N 3.11Å; L694-F702 HydrophobicContact CB-CD2 4.09Å; L694-F702 HydrophobicContact CB-CE2 4.24Å; L694-F702 HydrophobicContact CB-CG 4.37Å; L694-F702 HydrophobicContact CD1-CE1 4.49Å; L694-F702 HydrophobicContact CD2-CE2 3.85Å; L694-F702 HydrophobicContact CD2-CZ 3.94Å; L694-F702 VanDerWaalsContact O-CD2 3.3Å; L694-F702 WeakPolarHBondContact O-CD2 3.26Å; L694-I770 HydrophobicContact CB-CD1 4.4Å; L694-I770 HydrophobicContact CD1-CD1 3.78Å; L694-Y844 HydrophobicContact CD2-CE2 3.84Å; L694-Y844 HydrophobicContact CG-CE2 3.91Å; L694-Y844 PolarHBondContact N-OH 2.84Å; L694-I847 HydrophobicContact CD1-CG2 4.3Å; L694-K848 HydrophobicContact CD2-CD 4.24Å; L694-K848 HydrophobicContact CD2-CG 3.74Å; L694-I851 HydrophobicContact CD1-CD1 3.81Å; L694-I851 HydrophobicContact CD2-CD1 4.5Å
695	I	96.2	Very high	96.1	Very high	46 Å²	46	53.3 Å²	53.3	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-38.2	-177.7	-66.8	164.4	0	0	0	110.8	N691 D692 P699 F702 S704 I770	N691-I695 WeakPolarHBondContact O-CD1 3.11Å; N691-I695 VanDerWaalsContact O-CG1 3.27Å; N691-I695 WeakPolarHBondContact O-CG1 3.46Å; N691-I695 PolarHBondContact O-N 2.95Å; D692-I695 PolarHBondContact O-N 3.39Å; I695-P699 WeakPolarHBondContact O-CA 3.46Å; I695-P699 WeakPolarHBondContact O-CB 3.36Å; I695-P699 WeakPolarHBondContact O-CD 3.17Å; I695-F702 HydrophobicContact CG1-CB 4.33Å; I695-S704 WeakPolarHBondContact CD1-OG 2.96Å; I695-I770 HydrophobicContact CD1-CB 4.05Å; I695-I770 HydrophobicContact CD1-CG1 4.27Å; I695-I770 HydrophobicContact CD1-CG2 3.98Å; I695-I770 HydrophobicContact CG1-CB 4.29Å; I695-I770 HydrophobicContact CG1-CG1 3.96Å
696	S	97.1	Very high	96.2	Very high	87 Å²	87	54.5 Å²	54.5	61%	0.608	29%	0.288	S	S	*	.	H	α-helix	trans	-80.6	-34.4	-178.1	60.1	0	0	0	0	113.9	D692 D693	D692-S696 WeakPolarHBondContact O-CB 3.36Å; D692-S696 PolarHBondContact O-N 3.12Å; D692-S696 PolarHBondContact O-OG 3.07Å; D693-S696 PolarHBondContact O-OG 3.36Å
697	E	97.1	Very high	96.3	Very high	94 Å²	94	54.3 Å²	54.3	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-75	-38.3	176.1	-164.8	-174	167.9	0	0	111.8	D693 P699 Y844 K848	D693-E697 VanDerWaalsContact O-CB 3.23Å; D693-E697 WeakPolarHBondContact O-CB 3.37Å; D693-E697 PolarHBondContact O-N 3.36Å; E697-P699 VanDerWaalsContact C-CD 3.5Å; E697-Y844 WeakPolarHBondContact OE2-CE1 3.15Å; E697-Y844 VanDerWaalsContact OE2-CZ 3.27Å; E697-Y844 PolarHBondContact OE2-OH 3.35Å; E697-K848 IonicContact OE1-NZ 3.29Å; E697-K848 PolarHBondContact OE1-NZ 3.35Å; E697-K848 IonicContact OE2-NZ 3.7Å; E697-K848 PolarHBondContact OE2-NZ 2.68Å
698	F	96.8	Very high	96.5	Very high	60 Å²	60	54.6 Å²	54.6	26%	0.263	29%	0.291	S	S	.	.			trans	-130.4	62.3	-178.2	-44.7	-89.7	0	0	0	114.1	L694 H700 K701 F702 K848	L694-F698 PolarHBondContact O-N 2.97Å; L694-F698 VanDerWaalsContact O-N 3.11Å; F698-H700 PolarHBondContact O-N 2.96Å; F698-K701 HydrophobicContact CB-CB 4.11Å; F698-K701 PolarHBondContact O-N 3.46Å; F698-F702 HydrophobicContact CB-CD2 3.88Å; F698-F702 HydrophobicContact CB-CE2 4.07Å; F698-F702 HydrophobicContact CD2-CD2 4.49Å; F698-F702 HydrophobicContact CD2-CE2 4.11Å; F698-F702 HydrophobicContact CG-CE2 4.43Å; F698-F702 PolarHBondContact O-N 2.81Å; F698-K848 HydrophobicContact CE2-CD 3.58Å; F698-K848 HydrophobicContact CZ-CD 4.13Å
699	P	96.4	Very high	96.6	Very high	74 Å²	74	50.7 Å²	50.7	48%	0.481	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.6	-179.5	27.2	-36.4	0	0	0	114.3	I695 E697 K767	I695-P699 WeakPolarHBondContact O-CA 3.46Å; I695-P699 WeakPolarHBondContact O-CB 3.36Å; I695-P699 WeakPolarHBondContact O-CD 3.17Å; E697-P699 VanDerWaalsContact C-CD 3.5Å; P699-K767 PolarHBondContact O-NZ 3.45Å
700	H	95.8	Very high	96.7	Very high	136 Å²	136	44.9 Å²	44.9	63%	0.63	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-30.3	169.9	63.8	-91	0	0	0	112.8	F698 K767	F698-H700 PolarHBondContact O-N 2.96Å; H700-K767 WeakPolarHBondContact O-CE 3.02Å
701	K	96.8	Very high	96.7	Very high	39 Å²	39	46 Å²	46	17%	0.17	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-34.5	-178.6	-175.4	171.6	-173.6	-174.3	0	112.7	F698 K767 H768 E852 S855	F698-K701 HydrophobicContact CB-CB 4.11Å; F698-K701 PolarHBondContact O-N 3.46Å; K701-K767 CarbonylContact O-C 3.29Å; K701-K767 WeakPolarHBondContact O-CA 2.97Å; K701-H768 VanDerWaalsContact CE-CD2 3.41Å; K701-H768 WeakPolarHBondContact CE-CD2 3.33Å; K701-H768 VanDerWaalsContact CE-NE2 3.27Å; K701-H768 WeakPolarHBondContact CE-NE2 3.03Å; K701-H768 PolarHBondContact O-N 3.11Å; K701-E852 IonicContact NZ-OE2 3.21Å; K701-E852 PolarHBondContact NZ-OE2 2.9Å; K701-S855 PolarHBondContact NZ-OG 2.88Å; K701-S855 VanDerWaalsContact NZ-OG 3.13Å
702	F	98	Very high	96.6	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.035	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	160.3	-179.8	-59.6	-75.1	0	0	0	112.5	L694 I695 F698 H768 I770 I851	L694-F702 HydrophobicContact CB-CD2 4.09Å; L694-F702 HydrophobicContact CB-CE2 4.24Å; L694-F702 HydrophobicContact CB-CG 4.37Å; L694-F702 HydrophobicContact CD1-CE1 4.49Å; L694-F702 HydrophobicContact CD2-CE2 3.85Å; L694-F702 HydrophobicContact CD2-CZ 3.94Å; L694-F702 VanDerWaalsContact O-CD2 3.3Å; L694-F702 WeakPolarHBondContact O-CD2 3.26Å; I695-F702 HydrophobicContact CG1-CB 4.33Å; F698-F702 HydrophobicContact CB-CD2 3.88Å; F698-F702 HydrophobicContact CB-CE2 4.07Å; F698-F702 HydrophobicContact CD2-CD2 4.49Å; F698-F702 HydrophobicContact CD2-CE2 4.11Å; F698-F702 HydrophobicContact CG-CE2 4.43Å; F698-F702 PolarHBondContact O-N 2.81Å; F702-H768 WeakPolarHBondContact CA-O 3.24Å; F702-H768 HydrophobicContact CD1-CB 3.6Å; F702-H768 HydrophobicContact CE1-CB 3.8Å; F702-I770 HydrophobicContact CB-CG1 4.04Å; F702-I770 HydrophobicContact CD1-CD1 3.72Å; F702-I770 HydrophobicContact CD1-CG1 3.86Å; F702-I770 HydrophobicContact CE1-CD1 4.23Å; F702-I770 HydrophobicContact CG-CD1 4.39Å; F702-I770 HydrophobicContact CG-CG1 4.24Å; F702-I851 HydrophobicContact CE1-CD1 4.11Å; F702-I851 HydrophobicContact CE1-CG2 3.96Å; F702-I851 HydrophobicContact CZ-CD1 4.18Å; F702-I851 HydrophobicContact CZ-CG2 4Å
703	G	96.1	Very high	96.6	Very high	13 Å²	13	52.1 Å²	52.1	13%	0.134	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	156.9	166.9	0	0	0	0	0	111.9	H768 C769 I770	G703-H768 PolarHBondContact N-O 3.05Å; G703-H768 VanDerWaalsContact N-O 3.15Å; G703-C769 CarbonylContact O-C 3.51Å; G703-C769 WeakPolarHBondContact O-CA 3.31Å; G703-I770 PolarHBondContact O-N 2.72Å
704	S	95.9	Very high	96.6	Very high	80 Å²	80	56.3 Å²	56.3	56%	0.559	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.2	170.1	-52.4	0	0	0	0	110.3	I695	I695-S704 WeakPolarHBondContact CD1-OG 2.96Å
705	C	95.2	Very high	96.4	Very high	15 Å²	15	64.5 Å²	64.5	10%	0.101	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-88.6	152.6	167.4	62.3	0	0	0	0	111.6	P707 T754 S758 V762 C769 L771	C705-P707 WeakPolarHBondContact O-CD 3.28Å; C705-T754 VanDerWaalsContact SG-CG2 3.5Å; C705-S758 WeakPolarHBondContact CB-O 3.29Å; C705-V762 HydrophobicContact CB-CG2 3.83Å; C705-C769 VanDerWaalsContact CB-SG 3.56Å; C705-L771 VanDerWaalsContact SG-CD2 3.56Å
706	V	95.4	Very high	96.4	Very high	33 Å²	33	68.3 Å²	68.3	20%	0.2	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-80.4	118	179.3	-175.6	0	0	0	0	110.2	S758	V706-S758 VanDerWaalsContact O-CB 3.29Å; V706-S758 WeakPolarHBondContact O-CB 3.3Å; V706-S758 PolarHBondContact O-OG 3.15Å
707	P	96.3	Very high	96.4	Very high	35 Å²	35	64.8 Å²	64.8	23%	0.227	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-72.7	168.1	176.4	31.1	-34.8	0	0	0	111.4	C705 Y723 H724	C705-P707 WeakPolarHBondContact O-CD 3.28Å; P707-Y723 HydrophobicContact CB-CD1 4.2Å; P707-Y723 HydrophobicContact CB-CE1 4.3Å; P707-Y723 HydrophobicContact CG-CD1 3.64Å; P707-Y723 HydrophobicContact CG-CE1 3.65Å; P707-Y723 HydrophobicContact CG-CG 4.44Å; P707-Y723 CarbonylContact O-C 3.17Å; P707-Y723 VanDerWaalsContact O-CA 3.28Å; P707-Y723 WeakPolarHBondContact O-CA 3.44Å; P707-H724 PolarHBondContact O-N 2.84Å
708	H	97.3	Very high	96.3	Very high	37 Å²	37	63.8 Å²	63.8	17%	0.171	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	150.5	174.1	-64.5	33.9	0	0	0	110.1	H724 V726 M732 F741 Y752 G753 S758	H708-H724 WeakPolarHBondContact CA-O 3.39Å; H708-H724 HydrophobicContact CB-CB 4.45Å; H708-H724 AromaticContact CE1-CD2 3.37Å; H708-H724 PolarHBondContact CE1-CD2 3.11Å; H708-H724 AromaticContact CE1-CG 3.81Å; H708-H724 AromaticContact ND1-CD2 3.61Å; H708-V726 HydrophobicContact CB-CG2 4.02Å; H708-M732 HydrophobicContact CB-CE 4.01Å; H708-M732 HydrophobicContact CB-SD 4.41Å; H708-F741 HydrophobicContact CB-CE1 3.94Å; H708-F741 HydrophobicContact CB-CZ 4.03Å; H708-F741 AromaticContact CD2-CZ 3.88Å; H708-F741 AromaticContact CG-CZ 3.98Å; H708-Y752 WeakPolarHBondContact O-CA 3.18Å; H708-G753 PolarHBondContact N-O 3.22Å; H708-G753 PolarHBondContact O-N 3.05Å; H708-S758 PolarHBondContact CE1-OG 3Å; H708-S758 VanDerWaalsContact CE1-OG 3.29Å
709	T	97.8	Very high	96.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.1	168	-172.5	0	0	0	0	112.7	R711 Y723 H724 F725 V726 L751 Y752	T709-R711 VanDerWaalsContact C-N 3.32Å; T709-R711 HydrophobicContact CG2-CB 4.02Å; T709-R711 WeakPolarHBondContact OG1-CB 3.38Å; T709-R711 PolarHBondContact OG1-N 3.13Å; T709-R711 VanDerWaalsContact OG1-N 3.08Å; T709-Y723 HydrophobicContact CG2-CD1 3.69Å; T709-Y723 HydrophobicContact CG2-CD2 4.4Å; T709-Y723 HydrophobicContact CG2-CE1 4.45Å; T709-Y723 HydrophobicContact CG2-CG 3.69Å; T709-H724 PolarHBondContact N-O 3.1Å; T709-F725 HydrophobicContact CG2-CD1 3.65Å; T709-F725 HydrophobicContact CG2-CE1 3.8Å; T709-V726 PolarHBondContact O-N 2.86Å; T709-L751 CarbonylContact C-O 3.52Å; T709-L751 WeakPolarHBondContact CA-O 3.32Å; T709-L751 WeakPolarHBondContact CB-O 3.16Å; T709-L751 PolarHBondContact OG1-O 3.34Å; T709-Y752 HydrophobicContact CG2-CE1 4.31Å; T709-Y752 WeakPolarHBondContact OG1-CD1 3.25Å; T709-Y752 WeakPolarHBondContact OG1-CE1 3.42Å
710	T	97.5	Very high	96	Very high	21 Å²	21	63.5 Å²	63.5	13%	0.129	34%	0.339	C	S	.	.	S	Bend	trans	-84.3	-6.4	167.5	65.7	0	0	0	0	113.1	R729 M732 N750 L751	T710-R729 HydrophobicContact CG2-CB 4.01Å; T710-R729 HydrophobicContact CG2-CG 4.23Å; T710-M732 HydrophobicContact CG2-CB 4.08Å; T710-M732 HydrophobicContact CG2-CG 4.48Å; T710-M732 HydrophobicContact CG2-SD 3.76Å; T710-N750 PolarHBondContact O-OD1 2.83Å; T710-N750 WeakPolarHBondContact OG1-CA 3.36Å; T710-N750 PolarHBondContact OG1-OD1 3.03Å; T710-L751 HydrophobicContact CG2-CB 3.94Å; T710-L751 HydrophobicContact CG2-CD1 4.32Å; T710-L751 HydrophobicContact CG2-CG 4.29Å; T710-L751 PolarHBondContact N-O 2.96Å; T710-L751 VanDerWaalsContact N-O 3.07Å; T710-L751 PolarHBondContact OG1-N 2.85Å
711	R	96.6	Very high	95.8	Very high	23 Å²	23	63.4 Å²	63.4	9%	0.087	34%	0.339	C	S	.	.	S	Bend	trans	-65.1	135.8	179	-177	-174.2	49.5	85.9	-12.7	110.1	T709 R713 E717 F725 N750 Y752	T709-R711 VanDerWaalsContact C-N 3.32Å; T709-R711 HydrophobicContact CG2-CB 4.02Å; T709-R711 WeakPolarHBondContact OG1-CB 3.38Å; T709-R711 PolarHBondContact OG1-N 3.13Å; T709-R711 VanDerWaalsContact OG1-N 3.08Å; R711-R713 PolarHBondContact O-N 2.82Å; R711-E717 IonicContact CZ-OE1 3.73Å; R711-E717 IonicContact CZ-OE2 2.73Å; R711-E717 IonicContact NH1-OE1 3.15Å; R711-E717 PolarHBondContact NH1-OE1 3.33Å; R711-E717 IonicContact NH1-OE2 2.89Å; R711-E717 PolarHBondContact NH1-OE2 2.86Å; R711-E717 VanDerWaalsContact NH2-CD 3.29Å; R711-E717 IonicContact NH2-OE1 2.66Å; R711-E717 PolarHBondContact NH2-OE1 3.49Å; R711-E717 IonicContact NH2-OE2 3.13Å; R711-E717 PolarHBondContact NH2-OE2 2.86Å; R711-E717 VanDerWaalsContact NH2-OE2 3.08Å; R711-F725 VanDerWaalsContact O-CD1 3.25Å; R711-F725 WeakPolarHBondContact O-CD1 3.47Å; R711-N750 WeakPolarHBondContact CA-OD1 3.42Å; R711-N750 HydrophobicContact CB-CB 3.89Å; R711-N750 PolarHBondContact N-OD1 3.21Å; R711-Y752 VanDerWaalsContact CD-OH 3.26Å; R711-Y752 WeakPolarHBondContact CD-OH 3.41Å; R711-Y752 PolarHBondContact NE-OH 3.09Å
712	P	95.5	Very high	95.7	Very high	102 Å²	102	64.6 Å²	64.6	66%	0.662	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-53.8	134.9	168.2	-27.1	35.7	0	0	0	112.8
713	R	96.6	Very high	95.6	Very high	142 Å²	142	67.3 Å²	67.3	54%	0.536	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-58.9	135.6	173.2	-174.5	178	76.1	98.3	1.2	110.7	R711 E717 F725	R711-R713 PolarHBondContact O-N 2.82Å; R713-E717 VanDerWaalsContact CD-O 3.26Å; R713-E717 WeakPolarHBondContact CD-O 3.36Å; R713-E717 HydrophobicContact CG-CB 3.94Å; R713-E717 WeakPolarHBondContact CG-O 3.28Å; R713-E717 PolarHBondContact NH1-O 2.9Å; R713-F725 HydrophobicContact CB-CD1 3.92Å; R713-F725 HydrophobicContact CB-CD2 3.84Å; R713-F725 HydrophobicContact CB-CE1 3.92Å; R713-F725 HydrophobicContact CB-CE2 3.86Å; R713-F725 HydrophobicContact CB-CG 3.86Å; R713-F725 HydrophobicContact CB-CZ 3.88Å; R713-F725 HydrophobicContact CG-CD2 3.86Å; R713-F725 HydrophobicContact CG-CE1 4.29Å; R713-F725 HydrophobicContact CG-CE2 3.51Å; R713-F725 HydrophobicContact CG-CG 4.4Å; R713-F725 HydrophobicContact CG-CZ 3.73Å
714	R	96.2	Very high	95.6	Very high	137 Å²	137	69.8 Å²	69.8	52%	0.517	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-85.6	162.2	171.4	-61.3	171.8	-177.5	130.2	-11.9	111.1	N716 E717	R714-N716 WeakPolarHBondContact CB-OD1 3.47Å; R714-N716 PolarHBondContact O-N 2.66Å; R714-N716 VanDerWaalsContact O-N 3.09Å; R714-E717 HydrophobicContact CB-CG 4.02Å; R714-E717 WeakPolarHBondContact CD-OE1 3.37Å; R714-E717 IonicContact CZ-OE1 3.66Å; R714-E717 PolarHBondContact N-OE2 3.04Å; R714-E717 IonicContact NE-OE1 2.69Å; R714-E717 IonicContact NH1-OE1 2.67Å; R714-E717 PolarHBondContact NH1-OE1 2.8Å; R714-E717 PolarHBondContact O-N 2.93Å
715	D	94.5	Very high	95.6	Very high	172 Å²	172	67.5 Å²	67.5	92%	0.92	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.8	-178.9	-52.5	-53.3	0	0	0	113.7
716	N	95.6	Very high	95.7	Very high	127 Å²	127	68.4 Å²	68.4	68%	0.679	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	5.8	178.6	75.9	-85.1	0	0	0	114.6	R714	R714-N716 WeakPolarHBondContact CB-OD1 3.47Å; R714-N716 PolarHBondContact O-N 2.66Å; R714-N716 VanDerWaalsContact O-N 3.09Å
717	E	96.4	Very high	95.5	Very high	12 Å²	12	74 Å²	74	6%	0.056	39%	0.385	C	S	.	.			trans	-115.9	144.7	-174.3	-65.1	171.2	163.8	0	0	111.3	R711 R713 R714 D722 F725	R711-E717 IonicContact CZ-OE1 3.73Å; R711-E717 IonicContact CZ-OE2 2.73Å; R711-E717 IonicContact NH1-OE1 3.15Å; R711-E717 PolarHBondContact NH1-OE1 3.33Å; R711-E717 IonicContact NH1-OE2 2.89Å; R711-E717 PolarHBondContact NH1-OE2 2.86Å; R711-E717 VanDerWaalsContact NH2-CD 3.29Å; R711-E717 IonicContact NH2-OE1 2.66Å; R711-E717 PolarHBondContact NH2-OE1 3.49Å; R711-E717 IonicContact NH2-OE2 3.13Å; R711-E717 PolarHBondContact NH2-OE2 2.86Å; R711-E717 VanDerWaalsContact NH2-OE2 3.08Å; R713-E717 VanDerWaalsContact CD-O 3.26Å; R713-E717 WeakPolarHBondContact CD-O 3.36Å; R713-E717 HydrophobicContact CG-CB 3.94Å; R713-E717 WeakPolarHBondContact CG-O 3.28Å; R713-E717 PolarHBondContact NH1-O 2.9Å; R714-E717 HydrophobicContact CB-CG 4.02Å; R714-E717 WeakPolarHBondContact CD-OE1 3.37Å; R714-E717 IonicContact CZ-OE1 3.66Å; R714-E717 PolarHBondContact N-OE2 3.04Å; R714-E717 IonicContact NE-OE1 2.69Å; R714-E717 IonicContact NH1-OE1 2.67Å; R714-E717 PolarHBondContact NH1-OE1 2.8Å; R714-E717 PolarHBondContact O-N 2.93Å; E717-D722 WeakPolarHBondContact CA-OD2 3.44Å; E717-D722 HydrophobicContact CB-CB 4.47Å; E717-F725 HydrophobicContact CB-CE2 4.4Å; E717-F725 HydrophobicContact CB-CZ 3.95Å
718	V	95.9	Very high	95.5	Very high	73 Å²	73	74.4 Å²	74.4	44%	0.442	39%	0.388	S	S	.	.			trans	-116.9	128.2	-176.5	177.7	0	0	0	0	110.3	Q721 D722	V718-Q721 HydrophobicContact CB-CB 4.03Å; V718-Q721 HydrophobicContact CG1-CB 4.03Å; V718-Q721 PolarHBondContact O-N 3.32Å; V718-D722 PolarHBondContact N-OD2 3.49Å; V718-D722 PolarHBondContact O-N 2.93Å
719	D	94.9	Very high	95.4	Very high	93 Å²	93	75.9 Å²	75.9	50%	0.497	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-66.7	136.1	177.1	-174.9	58.2	0	0	0	111.3	Q721 Y723 H724 F725	D719-Q721 PolarHBondContact O-N 3.09Å; D719-Y723 WeakPolarHBondContact CA-O 3.42Å; D719-H724 WeakPolarHBondContact OD1-CA 3.35Å; D719-F725 HydrophobicContact CB-CD2 3.85Å; D719-F725 HydrophobicContact CB-CE2 4.48Å; D719-F725 WeakPolarHBondContact OD1-CD2 3.36Å; D719-F725 PolarHBondContact OD1-N 3.28Å
720	G	91.2	Very high	95.3	Very high	36 Å²	36	82.1 Å²	82.1	37%	0.371	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	8.5	-173.8	0	0	0	0	0	114.8	Y723	G720-Y723 PolarHBondContact N-O 2.96Å
721	Q	92.1	Very high	95.2	Very high	134 Å²	134	84.9 Å²	84.9	63%	0.626	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-58.9	170.8	177.8	175.6	-18.7	0	0	111.5	V718 D719	V718-Q721 HydrophobicContact CB-CB 4.03Å; V718-Q721 HydrophobicContact CG1-CB 4.03Å; V718-Q721 PolarHBondContact O-N 3.32Å; D719-Q721 PolarHBondContact O-N 3.09Å
722	D	93.8	Very high	95.2	Very high	64 Å²	64	83.9 Å²	83.9	34%	0.342	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-48.3	178.9	-60.7	-69.2	0	0	0	110.9	E717 V718	E717-D722 WeakPolarHBondContact CA-OD2 3.44Å; E717-D722 HydrophobicContact CB-CB 4.47Å; V718-D722 PolarHBondContact N-OD2 3.49Å; V718-D722 PolarHBondContact O-N 2.93Å
723	Y	96.8	Very high	95.3	Very high	64 Å²	64	82.2 Å²	82.2	25%	0.251	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-145.6	160	173	-65.2	-93.6	0	0	0	109.5	P707 T709 D719 G720 F725 Y752	P707-Y723 HydrophobicContact CB-CD1 4.2Å; P707-Y723 HydrophobicContact CB-CE1 4.3Å; P707-Y723 HydrophobicContact CG-CD1 3.64Å; P707-Y723 HydrophobicContact CG-CE1 3.65Å; P707-Y723 HydrophobicContact CG-CG 4.44Å; P707-Y723 CarbonylContact O-C 3.17Å; P707-Y723 VanDerWaalsContact O-CA 3.28Å; P707-Y723 WeakPolarHBondContact O-CA 3.44Å; T709-Y723 HydrophobicContact CG2-CD1 3.69Å; T709-Y723 HydrophobicContact CG2-CD2 4.4Å; T709-Y723 HydrophobicContact CG2-CE1 4.45Å; T709-Y723 HydrophobicContact CG2-CG 3.69Å; D719-Y723 WeakPolarHBondContact CA-O 3.42Å; G720-Y723 PolarHBondContact N-O 2.96Å; Y723-F725 HydrophobicContact CD2-CE1 4.14Å; Y723-F725 AromaticContact CD2-CZ 3.98Å; Y723-F725 HydrophobicContact CD2-CZ 3.98Å; Y723-F725 HydrophobicContact CG-CE1 4.25Å; Y723-F725 HydrophobicContact CG-CZ 4.29Å; Y723-Y752 HydrophobicContact CD1-CD1 4.37Å; Y723-Y752 AromaticContact CE1-CD1 3.7Å; Y723-Y752 HydrophobicContact CE1-CD1 3.7Å; Y723-Y752 AromaticContact CE1-CE1 3.94Å; Y723-Y752 HydrophobicContact CE1-CE1 3.94Å
724	H	96.2	Very high	95.3	Very high	65 Å²	65	80.6 Å²	80.6	30%	0.301	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.8	152.2	-66.9	-72.5	0	0	0	108.6	P707 H708 T709 D719 V726	P707-H724 PolarHBondContact O-N 2.84Å; H708-H724 WeakPolarHBondContact CA-O 3.39Å; H708-H724 HydrophobicContact CB-CB 4.45Å; H708-H724 AromaticContact CE1-CD2 3.37Å; H708-H724 PolarHBondContact CE1-CD2 3.11Å; H708-H724 AromaticContact CE1-CG 3.81Å; H708-H724 AromaticContact ND1-CD2 3.61Å; T709-H724 PolarHBondContact N-O 3.1Å; D719-H724 WeakPolarHBondContact OD1-CA 3.35Å; H724-V726 PolarHBondContact O-N 2.83Å
725	F	96.8	Very high	95.3	Very high	33 Å²	33	75.6 Å²	75.6	15%	0.145	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	97.3	-174.7	-66.1	-75.4	0	0	0	110.9	T709 R711 R713 E717 D719 Y723 V727	T709-F725 HydrophobicContact CG2-CD1 3.65Å; T709-F725 HydrophobicContact CG2-CE1 3.8Å; R711-F725 VanDerWaalsContact O-CD1 3.25Å; R711-F725 WeakPolarHBondContact O-CD1 3.47Å; R713-F725 HydrophobicContact CB-CD1 3.92Å; R713-F725 HydrophobicContact CB-CD2 3.84Å; R713-F725 HydrophobicContact CB-CE1 3.92Å; R713-F725 HydrophobicContact CB-CE2 3.86Å; R713-F725 HydrophobicContact CB-CG 3.86Å; R713-F725 HydrophobicContact CB-CZ 3.88Å; R713-F725 HydrophobicContact CG-CD2 3.86Å; R713-F725 HydrophobicContact CG-CE1 4.29Å; R713-F725 HydrophobicContact CG-CE2 3.51Å; R713-F725 HydrophobicContact CG-CG 4.4Å; R713-F725 HydrophobicContact CG-CZ 3.73Å; E717-F725 HydrophobicContact CB-CE2 4.4Å; E717-F725 HydrophobicContact CB-CZ 3.95Å; D719-F725 HydrophobicContact CB-CD2 3.85Å; D719-F725 HydrophobicContact CB-CE2 4.48Å; D719-F725 WeakPolarHBondContact OD1-CD2 3.36Å; D719-F725 PolarHBondContact OD1-N 3.28Å; Y723-F725 HydrophobicContact CD2-CE1 4.14Å; Y723-F725 AromaticContact CD2-CZ 3.98Å; Y723-F725 HydrophobicContact CD2-CZ 3.98Å; Y723-F725 HydrophobicContact CG-CE1 4.25Å; Y723-F725 HydrophobicContact CG-CZ 4.29Å; F725-V727 PolarHBondContact O-N 2.9Å
726	V	95.6	Very high	95.4	Very high	33 Å²	33	69.7 Å²	69.7	20%	0.2	36%	0.361	C	S	.	.			trans	-82.2	116.8	-173.4	-169.6	0	0	0	0	110.7	H708 T709 H724 S728 M732	H708-V726 HydrophobicContact CB-CG2 4.02Å; T709-V726 PolarHBondContact O-N 2.86Å; H724-V726 PolarHBondContact O-N 2.83Å; V726-S728 WeakPolarHBondContact CG1-O 3.25Å; V726-M732 HydrophobicContact CB-SD 4.49Å; V726-M732 HydrophobicContact CG1-CB 4.21Å; V726-M732 HydrophobicContact CG2-SD 4.24Å
727	V	92	Very high	95.4	Very high	152 Å²	152	70.4 Å²	70.4	92%	0.921	36%	0.36	S	S	*	.	S	Bend	trans	-71.2	-33.5	-172.4	-177.6	0	0	0	0	113.6	F725	F725-V727 PolarHBondContact O-N 2.9Å
728	S	95.7	Very high	95.3	Very high	42 Å²	42	73.6 Å²	73.6	29%	0.294	38%	0.377	S	S	.	.			trans	-105.4	121.2	176.5	164.6	0	0	0	0	110.4	V726 E730 Q731 M732	V726-S728 WeakPolarHBondContact CG1-O 3.25Å; S728-E730 VanDerWaalsContact C-N 3.31Å; S728-E730 WeakPolarHBondContact CB-OE2 3.49Å; S728-E730 PolarHBondContact OG-N 3.28Å; S728-E730 PolarHBondContact OG-OE2 3.21Å; S728-Q731 PolarHBondContact OG-N 3.36Å; S728-M732 PolarHBondContact O-N 3.27Å
729	R	95.2	Very high	95.2	Very high	69 Å²	69	74.3 Å²	74.3	26%	0.26	38%	0.379	S	S	.	.	H	α-helix	trans	-65.8	-39.4	173.4	175.2	173.9	168.5	138.1	7.9	110.8	T710 Q731 M732 E733 D749 L751	T710-R729 HydrophobicContact CG2-CB 4.01Å; T710-R729 HydrophobicContact CG2-CG 4.23Å; R729-Q731 VanDerWaalsContact C-N 3.31Å; R729-Q731 PolarHBondContact O-N 3.17Å; R729-M732 PolarHBondContact O-N 3.09Å; R729-M732 VanDerWaalsContact O-N 3.11Å; R729-E733 HydrophobicContact CG-CG 4.32Å; R729-E733 IonicContact CZ-OE1 3.36Å; R729-E733 IonicContact NE-OE1 3.89Å; R729-E733 PolarHBondContact NE-OE1 3.49Å; R729-E733 IonicContact NH2-OE1 2.75Å; R729-E733 PolarHBondContact NH2-OE1 2.85Å; R729-E733 WeakPolarHBondContact O-CG 3.49Å; R729-E733 PolarHBondContact O-N 3.01Å; R729-D749 PolarHBondContact NH1-O 3.23Å; R729-L751 HydrophobicContact CG-CD1 3.92Å; R729-L751 HydrophobicContact CG-CG 4.42Å
730	E	96.4	Very high	95.3	Very high	131 Å²	131	74.1 Å²	74.1	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-61.2	-40.4	-179	-50.3	69.5	-150.3	0	0	111	S728 K734	S728-E730 VanDerWaalsContact C-N 3.31Å; S728-E730 WeakPolarHBondContact CB-OE2 3.49Å; S728-E730 PolarHBondContact OG-N 3.28Å; S728-E730 PolarHBondContact OG-OE2 3.21Å; E730-K734 WeakPolarHBondContact O-CB 3.49Å; E730-K734 PolarHBondContact O-N 3.17Å
731	Q	95.3	Very high	95.6	Very high	79 Å²	79	72.7 Å²	72.7	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-67.2	-41.5	174.3	-178.5	53.4	47.4	0	0	111.6	S728 R729 K734 D735	S728-Q731 PolarHBondContact OG-N 3.36Å; R729-Q731 VanDerWaalsContact C-N 3.31Å; R729-Q731 PolarHBondContact O-N 3.17Å; Q731-K734 PolarHBondContact O-N 2.97Å; Q731-D735 PolarHBondContact NE2-OD1 3.41Å; Q731-D735 PolarHBondContact NE2-OD2 2.95Å; Q731-D735 WeakPolarHBondContact O-CB 3.19Å; Q731-D735 VanDerWaalsContact O-CG 3.3Å; Q731-D735 PolarHBondContact O-N 2.83Å
732	M	96.9	Very high	95.8	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-39.6	175.2	-171.2	166.6	175.1	0	0	112.3	H708 T710 V726 S728 R729 K734 D735 I736 F741 L751	H708-M732 HydrophobicContact CB-CE 4.01Å; H708-M732 HydrophobicContact CB-SD 4.41Å; T710-M732 HydrophobicContact CG2-CB 4.08Å; T710-M732 HydrophobicContact CG2-CG 4.48Å; T710-M732 HydrophobicContact CG2-SD 3.76Å; V726-M732 HydrophobicContact CB-SD 4.49Å; V726-M732 HydrophobicContact CG1-CB 4.21Å; V726-M732 HydrophobicContact CG2-SD 4.24Å; S728-M732 PolarHBondContact O-N 3.27Å; R729-M732 PolarHBondContact O-N 3.09Å; R729-M732 VanDerWaalsContact O-N 3.11Å; M732-K734 VanDerWaalsContact C-N 3.34Å; M732-D735 PolarHBondContact O-N 3.02Å; M732-I736 HydrophobicContact CG-CD1 4.15Å; M732-I736 WeakPolarHBondContact O-CD1 3.31Å; M732-I736 VanDerWaalsContact O-CG1 3.24Å; M732-I736 WeakPolarHBondContact O-CG1 3.06Å; M732-I736 PolarHBondContact O-N 2.84Å; M732-F741 HydrophobicContact CE-CE1 3.91Å; M732-F741 HydrophobicContact CE-CZ 3.91Å; M732-F741 HydrophobicContact CG-CE2 4.37Å; M732-F741 HydrophobicContact CG-CZ 4.27Å; M732-L751 HydrophobicContact CB-CD1 4.43Å; M732-L751 HydrophobicContact CE-CB 4.08Å; M732-L751 HydrophobicContact CG-CD1 4.38Å; M732-L751 HydrophobicContact SD-CB 3.91Å
733	E	97.3	Very high	95.9	Very high	68 Å²	68	66.6 Å²	66.6	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.1	-71	-178.1	170.5	0	0	111.6	R729 I736 Q737 L751	R729-E733 HydrophobicContact CG-CG 4.32Å; R729-E733 IonicContact CZ-OE1 3.36Å; R729-E733 IonicContact NE-OE1 3.89Å; R729-E733 PolarHBondContact NE-OE1 3.49Å; R729-E733 IonicContact NH2-OE1 2.75Å; R729-E733 PolarHBondContact NH2-OE1 2.85Å; R729-E733 WeakPolarHBondContact O-CG 3.49Å; R729-E733 PolarHBondContact O-N 3.01Å; E733-I736 PolarHBondContact O-N 3.01Å; E733-Q737 VanDerWaalsContact O-CG 3.3Å; E733-Q737 WeakPolarHBondContact O-CG 3.35Å; E733-Q737 PolarHBondContact O-N 3.28Å; E733-L751 HydrophobicContact CG-CD1 3.4Å
734	K	96.8	Very high	95.9	Very high	108 Å²	108	65.6 Å²	65.6	47%	0.47	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-43.6	171.9	-177	-179.4	175.7	-175.9	0	112	E730 Q731 M732 I736 Q737 D738	E730-K734 WeakPolarHBondContact O-CB 3.49Å; E730-K734 PolarHBondContact O-N 3.17Å; Q731-K734 PolarHBondContact O-N 2.97Å; M732-K734 VanDerWaalsContact C-N 3.34Å; K734-I736 VanDerWaalsContact C-N 3.27Å; K734-I736 PolarHBondContact O-N 2.92Å; K734-Q737 CarbonylContact O-C 3.6Å; K734-Q737 WeakPolarHBondContact O-CB 3.38Å; K734-Q737 PolarHBondContact O-N 3.48Å; K734-Q737 VanDerWaalsContact O-N 3.12Å; K734-D738 WeakPolarHBondContact O-CB 3.48Å; K734-D738 PolarHBondContact O-N 3.25Å
735	D	96.4	Very high	95.8	Very high	31 Å²	31	64.5 Å²	64.5	17%	0.166	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-29.1	179.5	-72.5	-38.4	0	0	0	112.8	Q731 M732 N739 K740 F741	Q731-D735 PolarHBondContact NE2-OD1 3.41Å; Q731-D735 PolarHBondContact NE2-OD2 2.95Å; Q731-D735 WeakPolarHBondContact O-CB 3.19Å; Q731-D735 VanDerWaalsContact O-CG 3.3Å; Q731-D735 PolarHBondContact O-N 2.83Å; M732-D735 PolarHBondContact O-N 3.02Å; D735-N739 PolarHBondContact O-N 2.83Å; D735-K740 HydrophobicContact CB-CB 4.44Å; D735-K740 HydrophobicContact CB-CD 3.85Å; D735-K740 WeakPolarHBondContact O-CB 3.5Å; D735-K740 PolarHBondContact O-N 2.83Å; D735-K740 WeakPolarHBondContact OD1-CD 3.27Å; D735-K740 WeakPolarHBondContact OD1-CE 3.41Å; D735-K740 IonicContact OD1-NZ 3.41Å; D735-K740 PolarHBondContact OD1-NZ 2.8Å; D735-F741 HydrophobicContact CB-CD2 4.28Å; D735-F741 HydrophobicContact CB-CE2 3.8Å
736	I	95.5	Very high	95.7	Very high	49 Å²	49	67.8 Å²	67.8	25%	0.251	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-44.1	169.7	-68.7	162.1	0	0	0	110.7	M732 E733 K734 N739 F741 A744 L751	M732-I736 HydrophobicContact CG-CD1 4.15Å; M732-I736 WeakPolarHBondContact O-CD1 3.31Å; M732-I736 VanDerWaalsContact O-CG1 3.24Å; M732-I736 WeakPolarHBondContact O-CG1 3.06Å; M732-I736 PolarHBondContact O-N 2.84Å; E733-I736 PolarHBondContact O-N 3.01Å; K734-I736 VanDerWaalsContact C-N 3.27Å; K734-I736 PolarHBondContact O-N 2.92Å; I736-N739 WeakPolarHBondContact O-CA 3.45Å; I736-N739 PolarHBondContact O-N 3.4Å; I736-N739 VanDerWaalsContact O-N 3.11Å; I736-F741 HydrophobicContact CB-CD2 4.45Å; I736-F741 HydrophobicContact CG1-CB 4.25Å; I736-F741 HydrophobicContact CG1-CD2 3.59Å; I736-F741 HydrophobicContact CG1-CE2 4.15Å; I736-F741 HydrophobicContact CG1-CG 3.95Å; I736-A744 HydrophobicContact CD1-CB 3.63Å; I736-A744 HydrophobicContact CG1-CB 3.82Å; I736-L751 HydrophobicContact CD1-CD1 4.39Å
737	Q	95.4	Very high	95.7	Very high	142 Å²	142	72.4 Å²	72.4	66%	0.664	37%	0.372	S	S	*	.	H	α-helix	trans	-65.7	-39.9	176	-68.6	168.5	35.5	0	0	112.7	E733 K734 N739	E733-Q737 VanDerWaalsContact O-CG 3.3Å; E733-Q737 WeakPolarHBondContact O-CG 3.35Å; E733-Q737 PolarHBondContact O-N 3.28Å; K734-Q737 CarbonylContact O-C 3.6Å; K734-Q737 WeakPolarHBondContact O-CB 3.38Å; K734-Q737 PolarHBondContact O-N 3.48Å; K734-Q737 VanDerWaalsContact O-N 3.12Å; Q737-N739 PolarHBondContact O-N 3.43Å; Q737-N739 PolarHBondContact O-ND2 3.33Å; Q737-N739 VanDerWaalsContact O-ND2 3.08Å
738	D	95.1	Very high	95.8	Very high	78 Å²	78	70.9 Å²	70.9	42%	0.417	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	3.1	171.9	-71.5	-11.9	0	0	0	112.6	K734 K740	K734-D738 WeakPolarHBondContact O-CB 3.48Å; K734-D738 PolarHBondContact O-N 3.25Å; D738-K740 VanDerWaalsContact C-N 3.3Å; D738-K740 HydrophobicContact CB-CD 3.97Å; D738-K740 HydrophobicContact CB-CG 4.24Å; D738-K740 PolarHBondContact O-N 3.43Å; D738-K740 IonicContact OD2-NZ 3.56Å; D738-K740 PolarHBondContact OD2-NZ 2.8Å
739	N	94.8	Very high	95.7	Very high	88 Å²	88	74.6 Å²	74.6	47%	0.471	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	22.1	177.6	-54.2	-75.5	0	0	0	115.7	D735 I736 Q737 F741 I756 R780	D735-N739 PolarHBondContact O-N 2.83Å; I736-N739 WeakPolarHBondContact O-CA 3.45Å; I736-N739 PolarHBondContact O-N 3.4Å; I736-N739 VanDerWaalsContact O-N 3.11Å; Q737-N739 PolarHBondContact O-N 3.43Å; Q737-N739 PolarHBondContact O-ND2 3.33Å; Q737-N739 VanDerWaalsContact O-ND2 3.08Å; N739-F741 PolarHBondContact O-N 3.05Å; N739-I756 WeakPolarHBondContact O-CD1 3.44Å; N739-R780 PolarHBondContact OD1-NH1 3.21Å; N739-R780 PolarHBondContact OD1-NH2 2.78Å
740	K	96.3	Very high	95.8	Very high	89 Å²	89	73.1 Å²	73.1	39%	0.387	37%	0.372	S	S	.	.			trans	-74.2	-7	179.5	-62.6	157.5	-178.1	157.5	0	113.5	D735 D738 S755 I756	D735-K740 HydrophobicContact CB-CB 4.44Å; D735-K740 HydrophobicContact CB-CD 3.85Å; D735-K740 WeakPolarHBondContact O-CB 3.5Å; D735-K740 PolarHBondContact O-N 2.83Å; D735-K740 WeakPolarHBondContact OD1-CD 3.27Å; D735-K740 WeakPolarHBondContact OD1-CE 3.41Å; D735-K740 IonicContact OD1-NZ 3.41Å; D735-K740 PolarHBondContact OD1-NZ 2.8Å; D738-K740 VanDerWaalsContact C-N 3.3Å; D738-K740 HydrophobicContact CB-CD 3.97Å; D738-K740 HydrophobicContact CB-CG 4.24Å; D738-K740 PolarHBondContact O-N 3.43Å; D738-K740 IonicContact OD2-NZ 3.56Å; D738-K740 PolarHBondContact OD2-NZ 2.8Å; K740-S755 CarbonylContact O-C 3.55Å; K740-S755 WeakPolarHBondContact O-CA 3.47Å; K740-I756 PolarHBondContact O-N 2.85Å
741	F	97.2	Very high	95.8	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.6	179.4	-76.1	-91.3	0	0	0	112.6	H708 M732 D735 I736 N739 A744 T754 R780	H708-F741 HydrophobicContact CB-CE1 3.94Å; H708-F741 HydrophobicContact CB-CZ 4.03Å; H708-F741 AromaticContact CD2-CZ 3.88Å; H708-F741 AromaticContact CG-CZ 3.98Å; M732-F741 HydrophobicContact CE-CE1 3.91Å; M732-F741 HydrophobicContact CE-CZ 3.91Å; M732-F741 HydrophobicContact CG-CE2 4.37Å; M732-F741 HydrophobicContact CG-CZ 4.27Å; D735-F741 HydrophobicContact CB-CD2 4.28Å; D735-F741 HydrophobicContact CB-CE2 3.8Å; I736-F741 HydrophobicContact CB-CD2 4.45Å; I736-F741 HydrophobicContact CG1-CB 4.25Å; I736-F741 HydrophobicContact CG1-CD2 3.59Å; I736-F741 HydrophobicContact CG1-CE2 4.15Å; I736-F741 HydrophobicContact CG1-CG 3.95Å; N739-F741 PolarHBondContact O-N 3.05Å; F741-A744 HydrophobicContact CB-CB 4.34Å; F741-T754 WeakPolarHBondContact CA-O 3.36Å; F741-T754 VanDerWaalsContact CD1-C 3.46Å; F741-T754 WeakPolarHBondContact CD1-O 3.42Å; F741-R780 PolarHBondContact O-NE 3.32Å; F741-R780 VanDerWaalsContact O-NE 3.13Å; F741-R780 PolarHBondContact O-NH2 2.66Å
742	I	96.8	Very high	95.9	Very high	4 Å²	4	66 Å²	66	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-31.8	173.6	62.4	160.6	0	0	0	111.8	T754 I756 V759 L771 V773 A777 R780 L781	I742-T754 HydrophobicContact CD1-CG2 3.85Å; I742-T754 HydrophobicContact CG1-CG2 3.9Å; I742-T754 VanDerWaalsContact CG1-O 3.31Å; I742-T754 WeakPolarHBondContact CG1-O 3.39Å; I742-T754 PolarHBondContact N-O 2.88Å; I742-I756 HydrophobicContact CG2-CG1 3.54Å; I742-V759 HydrophobicContact CD1-CG2 3.84Å; I742-L771 HydrophobicContact CD1-CD1 3.91Å; I742-L771 HydrophobicContact CD1-CD2 4.37Å; I742-V773 HydrophobicContact CD1-CG1 4.18Å; I742-A777 HydrophobicContact CB-CB 4.35Å; I742-A777 HydrophobicContact CD1-CB 4.23Å; I742-R780 HydrophobicContact CB-CB 4.22Å; I742-R780 HydrophobicContact CG2-CB 4.35Å; I742-R780 WeakPolarHBondContact O-CG 3.33Å; I742-L781 HydrophobicContact CB-CG 4.47Å; I742-L781 HydrophobicContact CD1-CD1 4.27Å; I742-L781 HydrophobicContact CD1-CD2 4.44Å; I742-L781 HydrophobicContact CD1-CG 4.36Å; I742-L781 HydrophobicContact CG2-CD2 3.76Å; I742-L781 HydrophobicContact CG2-CG 3.89Å
743	E	96.1	Very high	95.8	Very high	65 Å²	65	66.3 Å²	66.3	30%	0.304	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	142.3	173.3	-174.3	155.4	92.8	0	0	108.7	G753 T754 V773 S774	E743-G753 CarbonylContact O-C 3.42Å; E743-G753 WeakPolarHBondContact O-CA 3.38Å; E743-T754 PolarHBondContact O-N 2.86Å; E743-V773 HydrophobicContact CB-CG1 4.19Å; E743-V773 VanDerWaalsContact OE1-CA 3.23Å; E743-V773 WeakPolarHBondContact OE1-CA 3.38Å; E743-S774 PolarHBondContact OE1-N 3.27Å; E743-S774 VanDerWaalsContact OE1-N 3.07Å; E743-S774 WeakPolarHBondContact OE2-CA 3.3Å; E743-S774 WeakPolarHBondContact OE2-CB 3.23Å; E743-S774 PolarHBondContact OE2-N 2.84Å; E743-S774 PolarHBondContact OE2-OG 2.9Å
744	A	95.6	Very high	95.8	Very high	43 Å²	43	64.1 Å²	64.1	36%	0.355	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	154.5	174.8	0	0	0	0	0	110.7	I736 F741 Y752	I736-A744 HydrophobicContact CD1-CB 3.63Å; I736-A744 HydrophobicContact CG1-CB 3.82Å; F741-A744 HydrophobicContact CB-CB 4.34Å; A744-Y752 CarbonylContact C-O 3.59Å; A744-Y752 WeakPolarHBondContact CA-O 3.2Å
745	G	94.2	Very high	95.8	Very high	43 Å²	43	59.3 Å²	59.3	44%	0.443	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	167.5	178.7	0	0	0	0	0	112.9	L751 Y752	G745-L751 WeakPolarHBondContact O-CA 3.49Å; G745-Y752 PolarHBondContact N-O 3.19Å; G745-Y752 PolarHBondContact O-N 2.91Å
746	Q	96	Very high	95.9	Very high	102 Å²	102	59.1 Å²	59.1	48%	0.477	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.6	177	-177.4	165.3	-31.5	0	0	110.4	D749 N750 L751	Q746-D749 PolarHBondContact NE2-OD1 3.28Å; Q746-N750 WeakPolarHBondContact CA-O 3.33Å; Q746-L751 HydrophobicContact CB-CD2 3.89Å; Q746-L751 HydrophobicContact CG-CD2 4.26Å
747	F	94.6	Very high	95.9	Very high	130 Å²	130	61.9 Å²	61.9	57%	0.57	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.9	173.7	178.8	-104.1	0	0	0	109.9	D749 N750 Y752	F747-D749 VanDerWaalsContact C-N 3.27Å; F747-D749 PolarHBondContact O-N 2.83Å; F747-N750 PolarHBondContact N-O 3.42Å; F747-N750 PolarHBondContact O-N 2.99Å; F747-N750 VanDerWaalsContact O-N 3.1Å; F747-N750 VanDerWaalsContact O-O 3.14Å; F747-Y752 HydrophobicContact CB-CD2 4.07Å; F747-Y752 HydrophobicContact CB-CE2 3.98Å; F747-Y752 HydrophobicContact CD1-CE2 4.33Å
748	N	94.5	Very high	96	Very high	120 Å²	120	55.7 Å²	55.7	64%	0.642	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	53.1	-173.4	-63.7	-3.5	0	0	0	112	N750	N748-N750 PolarHBondContact O-N 2.87Å; N748-N750 PolarHBondContact O-ND2 2.88Å
749	D	93.9	Very high	96.2	Very high	119 Å²	119	52 Å²	52	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	13.3	-179.3	-58.9	-42.7	0	0	0	117.9	R729 Q746 F747	R729-D749 PolarHBondContact NH1-O 3.23Å; Q746-D749 PolarHBondContact NE2-OD1 3.28Å; F747-D749 VanDerWaalsContact C-N 3.27Å; F747-D749 PolarHBondContact O-N 2.83Å
750	N	96.1	Very high	96.3	Very high	39 Å²	39	51.3 Å²	51.3	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.6	171.3	-68.8	-81.2	0	0	0	110.3	T710 R711 Q746 F747 N748 Y752	T710-N750 PolarHBondContact O-OD1 2.83Å; T710-N750 WeakPolarHBondContact OG1-CA 3.36Å; T710-N750 PolarHBondContact OG1-OD1 3.03Å; R711-N750 WeakPolarHBondContact CA-OD1 3.42Å; R711-N750 HydrophobicContact CB-CB 3.89Å; R711-N750 PolarHBondContact N-OD1 3.21Å; Q746-N750 WeakPolarHBondContact CA-O 3.33Å; F747-N750 PolarHBondContact N-O 3.42Å; F747-N750 PolarHBondContact O-N 2.99Å; F747-N750 VanDerWaalsContact O-N 3.1Å; F747-N750 VanDerWaalsContact O-O 3.14Å; N748-N750 PolarHBondContact O-N 2.87Å; N748-N750 PolarHBondContact O-ND2 2.88Å; N750-Y752 HydrophobicContact CB-CE2 3.89Å; N750-Y752 WeakPolarHBondContact O-CD2 3.3Å
751	L	97.2	Very high	96.3	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.058	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	147.8	174	-56.2	178.6	0	0	0	109.8	T709 T710 R729 M732 E733 I736 G745 Q746	T709-L751 CarbonylContact C-O 3.52Å; T709-L751 WeakPolarHBondContact CA-O 3.32Å; T709-L751 WeakPolarHBondContact CB-O 3.16Å; T709-L751 PolarHBondContact OG1-O 3.34Å; T710-L751 HydrophobicContact CG2-CB 3.94Å; T710-L751 HydrophobicContact CG2-CD1 4.32Å; T710-L751 HydrophobicContact CG2-CG 4.29Å; T710-L751 PolarHBondContact N-O 2.96Å; T710-L751 VanDerWaalsContact N-O 3.07Å; T710-L751 PolarHBondContact OG1-N 2.85Å; R729-L751 HydrophobicContact CG-CD1 3.92Å; R729-L751 HydrophobicContact CG-CG 4.42Å; M732-L751 HydrophobicContact CB-CD1 4.43Å; M732-L751 HydrophobicContact CE-CB 4.08Å; M732-L751 HydrophobicContact CG-CD1 4.38Å; M732-L751 HydrophobicContact SD-CB 3.91Å; E733-L751 HydrophobicContact CG-CD1 3.4Å; I736-L751 HydrophobicContact CD1-CD1 4.39Å; G745-L751 WeakPolarHBondContact O-CA 3.49Å; Q746-L751 HydrophobicContact CB-CD2 3.89Å; Q746-L751 HydrophobicContact CG-CD2 4.26Å
752	Y	97.2	Very high	96.3	Very high	50 Å²	50	48.8 Å²	48.8	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.5	173.6	-65.1	-95.8	0	0	0	108	H708 T709 R711 Y723 A744 G745 F747 N750	H708-Y752 WeakPolarHBondContact O-CA 3.18Å; T709-Y752 HydrophobicContact CG2-CE1 4.31Å; T709-Y752 WeakPolarHBondContact OG1-CD1 3.25Å; T709-Y752 WeakPolarHBondContact OG1-CE1 3.42Å; R711-Y752 VanDerWaalsContact CD-OH 3.26Å; R711-Y752 WeakPolarHBondContact CD-OH 3.41Å; R711-Y752 PolarHBondContact NE-OH 3.09Å; Y723-Y752 HydrophobicContact CD1-CD1 4.37Å; Y723-Y752 AromaticContact CE1-CD1 3.7Å; Y723-Y752 HydrophobicContact CE1-CD1 3.7Å; Y723-Y752 AromaticContact CE1-CE1 3.94Å; Y723-Y752 HydrophobicContact CE1-CE1 3.94Å; A744-Y752 CarbonylContact C-O 3.59Å; A744-Y752 WeakPolarHBondContact CA-O 3.2Å; G745-Y752 PolarHBondContact N-O 3.19Å; G745-Y752 PolarHBondContact O-N 2.91Å; F747-Y752 HydrophobicContact CB-CD2 4.07Å; F747-Y752 HydrophobicContact CB-CE2 3.98Å; F747-Y752 HydrophobicContact CD1-CE2 4.33Å; N750-Y752 HydrophobicContact CB-CE2 3.89Å; N750-Y752 WeakPolarHBondContact O-CD2 3.3Å
753	G	95.9	Very high	96.3	Very high	7 Å²	7	48.7 Å²	48.7	7%	0.072	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	158.9	174.8	0	0	0	0	0	114.4	H708 E743	H708-G753 PolarHBondContact N-O 3.22Å; H708-G753 PolarHBondContact O-N 3.05Å; E743-G753 CarbonylContact O-C 3.42Å; E743-G753 WeakPolarHBondContact O-CA 3.38Å
754	T	97.2	Very high	96.2	Very high	22 Å²	22	51.3 Å²	51.3	14%	0.135	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.5	176.9	-60	0	0	0	0	109.2	C705 F741 I742 E743 V759 L771	C705-T754 VanDerWaalsContact SG-CG2 3.5Å; F741-T754 WeakPolarHBondContact CA-O 3.36Å; F741-T754 VanDerWaalsContact CD1-C 3.46Å; F741-T754 WeakPolarHBondContact CD1-O 3.42Å; I742-T754 HydrophobicContact CD1-CG2 3.85Å; I742-T754 HydrophobicContact CG1-CG2 3.9Å; I742-T754 VanDerWaalsContact CG1-O 3.31Å; I742-T754 WeakPolarHBondContact CG1-O 3.39Å; I742-T754 PolarHBondContact N-O 2.88Å; E743-T754 PolarHBondContact O-N 2.86Å; T754-V759 HydrophobicContact CG2-CG2 3.75Å; T754-L771 HydrophobicContact CG2-CD2 4.3Å
755	S	97.1	Very high	96.3	Very high	7 Å²	7	58.6 Å²	58.6	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	150.3	179.8	87.1	0	0	0	0	111.1	K740 Q757 S758 V759	K740-S755 CarbonylContact O-C 3.55Å; K740-S755 WeakPolarHBondContact O-CA 3.47Å; S755-Q757 PolarHBondContact O-N 2.83Å; S755-Q757 PolarHBondContact OG-N 3.44Å; S755-S758 WeakPolarHBondContact O-CB 3.11Å; S755-S758 PolarHBondContact O-N 3.06Å; S755-S758 PolarHBondContact OG-N 2.94Å; S755-S758 PolarHBondContact OG-OG 2.64Å; S755-V759 PolarHBondContact O-N 3.45Å
756	I	97.5	Very high	96.3	Very high	27 Å²	27	59 Å²	59	14%	0.138	30%	0.296	C	S	.	.	H	α-helix	trans	-55.6	-38.3	172.5	-68.8	166.7	0	0	0	110.1	N739 K740 I742 V759 R760 A784 L786	N739-I756 WeakPolarHBondContact O-CD1 3.44Å; K740-I756 PolarHBondContact O-N 2.85Å; I742-I756 HydrophobicContact CG2-CG1 3.54Å; I756-V759 PolarHBondContact O-N 3.25Å; I756-R760 WeakPolarHBondContact O-CB 3.27Å; I756-R760 PolarHBondContact O-N 2.68Å; I756-A784 HydrophobicContact CD1-CB 3.79Å; I756-A784 HydrophobicContact CG1-CB 4.13Å; I756-A784 HydrophobicContact CG2-CB 3.85Å; I756-L786 HydrophobicContact CG2-CD1 3.96Å
757	Q	96.5	Very high	96.4	Very high	107 Å²	107	57.6 Å²	57.6	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-70.8	-34.8	-179	-167.1	58	32.3	0	0	112.4	S755 V759 R760 A761	S755-Q757 PolarHBondContact O-N 2.83Å; S755-Q757 PolarHBondContact OG-N 3.44Å; Q757-V759 VanDerWaalsContact C-N 3.32Å; Q757-V759 PolarHBondContact O-N 3.09Å; Q757-R760 PolarHBondContact O-N 3.23Å; Q757-A761 VanDerWaalsContact O-CB 3.28Å; Q757-A761 WeakPolarHBondContact O-CB 3.42Å; Q757-A761 PolarHBondContact O-N 3.34Å
758	S	97.3	Very high	96.6	Very high	11 Å²	11	51.8 Å²	51.8	8%	0.077	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-43.5	172.4	-65.5	0	0	0	0	111.3	C705 V706 H708 S755	C705-S758 WeakPolarHBondContact CB-O 3.29Å; V706-S758 VanDerWaalsContact O-CB 3.29Å; V706-S758 WeakPolarHBondContact O-CB 3.3Å; V706-S758 PolarHBondContact O-OG 3.15Å; H708-S758 PolarHBondContact CE1-OG 3Å; H708-S758 VanDerWaalsContact CE1-OG 3.29Å; S755-S758 WeakPolarHBondContact O-CB 3.11Å; S755-S758 PolarHBondContact O-N 3.06Å; S755-S758 PolarHBondContact OG-N 2.94Å; S755-S758 PolarHBondContact OG-OG 2.64Å
759	V	97.9	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-47.6	177.9	-175.1	0	0	0	0	111.2	P679 I742 T754 S755 I756 Q757 A761 V762 A763 C769 L771 L781	P679-V759 HydrophobicContact CB-CG1 3.87Å; P679-V759 HydrophobicContact CG-CG1 3.48Å; P679-V759 VanDerWaalsContact CG-CG1 3.48Å; I742-V759 HydrophobicContact CD1-CG2 3.84Å; T754-V759 HydrophobicContact CG2-CG2 3.75Å; S755-V759 PolarHBondContact O-N 3.45Å; I756-V759 PolarHBondContact O-N 3.25Å; Q757-V759 VanDerWaalsContact C-N 3.32Å; Q757-V759 PolarHBondContact O-N 3.09Å; V759-A761 VanDerWaalsContact C-N 3.32Å; V759-A761 PolarHBondContact O-N 3.45Å; V759-V762 PolarHBondContact O-N 2.88Å; V759-V762 VanDerWaalsContact O-N 3.11Å; V759-A763 PolarHBondContact O-N 3.07Å; V759-A763 VanDerWaalsContact O-N 3.09Å; V759-C769 HydrophobicContact CG1-CB 4Å; V759-L771 HydrophobicContact CG1-CD1 4.11Å; V759-L771 HydrophobicContact CG1-CD2 4.49Å; V759-L771 HydrophobicContact CG2-CD1 4.26Å; V759-L771 HydrophobicContact CG2-CD2 3.82Å; V759-L781 HydrophobicContact CG1-CD2 4.11Å
760	R	97	Very high	96.9	Very high	74 Å²	74	40.8 Å²	40.8	28%	0.279	20%	0.204	S	C	.	.	H	α-helix	trans	-56.4	-45	178.8	-179.4	171.7	-71.8	145	-3	111.8	I756 Q757 V762 A763 E764 A784 L786	I756-R760 WeakPolarHBondContact O-CB 3.27Å; I756-R760 PolarHBondContact O-N 2.68Å; Q757-R760 PolarHBondContact O-N 3.23Å; R760-V762 PolarHBondContact O-N 2.82Å; R760-V762 VanDerWaalsContact O-N 3.16Å; R760-A763 PolarHBondContact O-N 3.19Å; R760-A763 VanDerWaalsContact O-N 3.12Å; R760-E764 VanDerWaalsContact CD-OE1 3.22Å; R760-E764 WeakPolarHBondContact CD-OE1 3.39Å; R760-E764 HydrophobicContact CG-CG 3.99Å; R760-E764 WeakPolarHBondContact CG-OE1 3.48Å; R760-E764 WeakPolarHBondContact O-CB 3.44Å; R760-E764 WeakPolarHBondContact O-CG 3.14Å; R760-E764 PolarHBondContact O-N 3.35Å; R760-A784 PolarHBondContact NH2-O 3.48Å; R760-L786 HydrophobicContact CB-CD1 4.09Å
761	A	96.3	Very high	97	Very high	29 Å²	29	39.1 Å²	39.1	24%	0.24	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-16.7	179.6	0	0	0	0	0	114.6	Q757 V759 R765	Q757-A761 VanDerWaalsContact O-CB 3.28Å; Q757-A761 WeakPolarHBondContact O-CB 3.42Å; Q757-A761 PolarHBondContact O-N 3.34Å; V759-A761 VanDerWaalsContact C-N 3.32Å; V759-A761 PolarHBondContact O-N 3.45Å; A761-R765 WeakPolarHBondContact O-CD 3.16Å; A761-R765 VanDerWaalsContact O-CG 3.22Å; A761-R765 WeakPolarHBondContact O-CG 3.17Å; A761-R765 PolarHBondContact O-NE 3.26Å
762	V	97.2	Very high	96.8	Very high	15 Å²	15	43.6 Å²	43.6	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-88.7	-44.1	169.9	178.6	0	0	0	0	110.5	C705 V759 R760 E764 R765 K767 C769	C705-V762 HydrophobicContact CB-CG2 3.83Å; V759-V762 PolarHBondContact O-N 2.88Å; V759-V762 VanDerWaalsContact O-N 3.11Å; R760-V762 PolarHBondContact O-N 2.82Å; R760-V762 VanDerWaalsContact O-N 3.16Å; V762-E764 PolarHBondContact O-N 3.27Å; V762-R765 WeakPolarHBondContact O-CB 3.39Å; V762-R765 PolarHBondContact O-N 2.78Å; V762-R765 VanDerWaalsContact O-N 3.13Å; V762-K767 CarbonylContact C-O 3.57Å; V762-K767 HydrophobicContact CG1-CB 3.96Å; V762-K767 PolarHBondContact O-N 2.9Å; V762-C769 HydrophobicContact CB-CB 3.92Å; V762-C769 HydrophobicContact CG1-CB 3.81Å
763	A	96.6	Very high	96.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-42.2	178.8	0	0	0	0	0	113.3	Y676 A677 V759 R760 R765 G766 K767	Y676-A763 HydrophobicContact CD2-CB 4.11Å; Y676-A763 HydrophobicContact CG-CB 4.49Å; A677-A763 PolarHBondContact N-O 2.85Å; A677-A763 WeakPolarHBondContact O-CA 3.31Å; A677-A763 WeakPolarHBondContact O-CB 3.35Å; V759-A763 PolarHBondContact O-N 3.07Å; V759-A763 VanDerWaalsContact O-N 3.09Å; R760-A763 PolarHBondContact O-N 3.19Å; R760-A763 VanDerWaalsContact O-N 3.12Å; A763-R765 VanDerWaalsContact C-N 3.26Å; A763-R765 PolarHBondContact O-N 2.86Å; A763-G766 PolarHBondContact O-N 2.86Å; A763-K767 WeakPolarHBondContact CA-O 3.41Å
764	E	95.6	Very high	96.6	Very high	120 Å²	120	43.3 Å²	43.3	56%	0.561	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.6	177.3	-70.6	170.7	166	0	0	113	R760 V762 G766	R760-E764 VanDerWaalsContact CD-OE1 3.22Å; R760-E764 WeakPolarHBondContact CD-OE1 3.39Å; R760-E764 HydrophobicContact CG-CG 3.99Å; R760-E764 WeakPolarHBondContact CG-OE1 3.48Å; R760-E764 WeakPolarHBondContact O-CB 3.44Å; R760-E764 WeakPolarHBondContact O-CG 3.14Å; R760-E764 PolarHBondContact O-N 3.35Å; V762-E764 PolarHBondContact O-N 3.27Å; E764-G766 PolarHBondContact O-N 3Å
765	R	95.7	Very high	96.3	Very high	197 Å²	197	42.3 Å²	42.3	74%	0.743	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	12.8	171.5	-66.8	173	-174.5	172.9	1.5	112.7	A761 V762 A763 K767	A761-R765 WeakPolarHBondContact O-CD 3.16Å; A761-R765 VanDerWaalsContact O-CG 3.22Å; A761-R765 WeakPolarHBondContact O-CG 3.17Å; A761-R765 PolarHBondContact O-NE 3.26Å; V762-R765 WeakPolarHBondContact O-CB 3.39Å; V762-R765 PolarHBondContact O-N 2.78Å; V762-R765 VanDerWaalsContact O-N 3.13Å; A763-R765 VanDerWaalsContact C-N 3.26Å; A763-R765 PolarHBondContact O-N 2.86Å; R765-K767 VanDerWaalsContact C-N 3.27Å; R765-K767 PolarHBondContact O-N 2.97Å
766	G	95.3	Very high	96.2	Very high	52 Å²	52	45.6 Å²	45.6	54%	0.536	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	16.7	-179.4	0	0	0	0	0	114.4	A677 A763 E764	A677-G766 VanDerWaalsContact CB-C 3.45Å; A763-G766 PolarHBondContact O-N 2.86Å; E764-G766 PolarHBondContact O-N 3Å
767	K	97.7	Very high	96.2	Very high	71 Å²	71	44.3 Å²	44.3	31%	0.309	23%	0.227	S	C	.	.			trans	-111.7	137.5	179	-65.4	-165.5	178.5	-167.9	0	112.2	A677 P699 H700 K701 V762 A763 R765 C769	A677-K767 WeakPolarHBondContact CB-O 3.39Å; P699-K767 PolarHBondContact O-NZ 3.45Å; H700-K767 WeakPolarHBondContact O-CE 3.02Å; K701-K767 CarbonylContact O-C 3.29Å; K701-K767 WeakPolarHBondContact O-CA 2.97Å; V762-K767 CarbonylContact C-O 3.57Å; V762-K767 HydrophobicContact CG1-CB 3.96Å; V762-K767 PolarHBondContact O-N 2.9Å; A763-K767 WeakPolarHBondContact CA-O 3.41Å; R765-K767 VanDerWaalsContact C-N 3.27Å; R765-K767 PolarHBondContact O-N 2.97Å; K767-C769 PolarHBondContact O-N 3.49Å; K767-C769 VanDerWaalsContact O-N 3.14Å
768	H	98.3	Very high	96.1	Very high	9 Å²	9	39.2 Å²	39.2	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	113.3	170	-66	-84.9	0	0	0	109.3	R678 V680 K701 F702 G703 I770 S855	R678-H768 PolarHBondContact O-ND1 2.78Å; V680-H768 HydrophobicContact CG2-CB 3.99Å; K701-H768 VanDerWaalsContact CE-CD2 3.41Å; K701-H768 WeakPolarHBondContact CE-CD2 3.33Å; K701-H768 VanDerWaalsContact CE-NE2 3.27Å; K701-H768 WeakPolarHBondContact CE-NE2 3.03Å; K701-H768 PolarHBondContact O-N 3.11Å; F702-H768 WeakPolarHBondContact CA-O 3.24Å; F702-H768 HydrophobicContact CD1-CB 3.6Å; F702-H768 HydrophobicContact CE1-CB 3.8Å; G703-H768 PolarHBondContact N-O 3.05Å; G703-H768 VanDerWaalsContact N-O 3.15Å; H768-I770 PolarHBondContact O-N 3.34Å; H768-I770 VanDerWaalsContact O-N 3.17Å; H768-S855 PolarHBondContact CE1-OG 3.42Å; H768-S855 PolarHBondContact NE2-OG 2.81Å
769	C	98.2	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	107.9	175.6	-168.5	0	0	0	0	109.5	P679 V680 G703 C705 V759 V762 K767	P679-C769 CarbonylContact C-O 3.59Å; P679-C769 WeakPolarHBondContact CA-O 3.5Å; P679-C769 HydrophobicContact CB-CB 4.25Å; V680-C769 PolarHBondContact N-O 2.86Å; G703-C769 CarbonylContact O-C 3.51Å; G703-C769 WeakPolarHBondContact O-CA 3.31Å; C705-C769 VanDerWaalsContact CB-SG 3.56Å; V759-C769 HydrophobicContact CG1-CB 4Å; V762-C769 HydrophobicContact CB-CB 3.92Å; V762-C769 HydrophobicContact CG1-CB 3.81Å; K767-C769 PolarHBondContact O-N 3.49Å; K767-C769 VanDerWaalsContact O-N 3.14Å
770	I	98.1	Very high	95.9	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131	170.9	-64.6	-76.1	0	0	0	107.7	V680 N691 L694 I695 F702 G703 H768	V680-I770 HydrophobicContact CB-CD1 4.01Å; V680-I770 HydrophobicContact CG1-CD1 3.94Å; N691-I770 HydrophobicContact CB-CG2 3.77Å; L694-I770 HydrophobicContact CB-CD1 4.4Å; L694-I770 HydrophobicContact CD1-CD1 3.78Å; I695-I770 HydrophobicContact CD1-CB 4.05Å; I695-I770 HydrophobicContact CD1-CG1 4.27Å; I695-I770 HydrophobicContact CD1-CG2 3.98Å; I695-I770 HydrophobicContact CG1-CB 4.29Å; I695-I770 HydrophobicContact CG1-CG1 3.96Å; F702-I770 HydrophobicContact CB-CG1 4.04Å; F702-I770 HydrophobicContact CD1-CD1 3.72Å; F702-I770 HydrophobicContact CD1-CG1 3.86Å; F702-I770 HydrophobicContact CE1-CD1 4.23Å; F702-I770 HydrophobicContact CG-CD1 4.39Å; F702-I770 HydrophobicContact CG-CG1 4.24Å; G703-I770 PolarHBondContact O-N 2.72Å; H768-I770 PolarHBondContact O-N 3.34Å; H768-I770 VanDerWaalsContact O-N 3.17Å
771	L	97.4	Very high	95.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.5	-175.6	-64.8	175.9	0	0	0	111.1	P679 V680 I681 C705 I742 T754 V759 V773 L781	P679-L771 HydrophobicContact CB-CD1 3.88Å; V680-L771 PolarHBondContact O-N 2.96Å; I681-L771 HydrophobicContact CD1-CD1 4.21Å; I681-L771 HydrophobicContact CG1-CB 3.87Å; I681-L771 HydrophobicContact CG1-CD1 4.02Å; C705-L771 VanDerWaalsContact SG-CD2 3.56Å; I742-L771 HydrophobicContact CD1-CD1 3.91Å; I742-L771 HydrophobicContact CD1-CD2 4.37Å; T754-L771 HydrophobicContact CG2-CD2 4.3Å; V759-L771 HydrophobicContact CG1-CD1 4.11Å; V759-L771 HydrophobicContact CG1-CD2 4.49Å; V759-L771 HydrophobicContact CG2-CD1 4.26Å; V759-L771 HydrophobicContact CG2-CD2 3.82Å; L771-V773 HydrophobicContact CB-CG1 4.49Å; L771-V773 HydrophobicContact CB-CG2 3.91Å; L771-L781 HydrophobicContact CD1-CD1 3.72Å
772	D	93.9	Very high	95.8	Very high	104 Å²	104	41.6 Å²	41.6	56%	0.556	21%	0.208	S	C	*	.			trans	-90.7	98.2	163.1	-169.2	6.6	0	0	0	109.8	K687	K687-D772 VanDerWaalsContact CE-OD1 3.27Å; K687-D772 WeakPolarHBondContact CE-OD1 3.2Å; K687-D772 IonicContact NZ-OD1 3.28Å; K687-D772 PolarHBondContact NZ-OD1 3.36Å; K687-D772 IonicContact NZ-OD2 3.89Å; K687-D772 PolarHBondContact NZ-OD2 3.46Å
773	V	94.3	Very high	95.6	Very high	8 Å²	8	47.6 Å²	47.6	5%	0.048	24%	0.235	C	C	.	.			trans	-150.9	162.9	-174.8	-69.4	0	0	0	0	110.5	I681 I742 E743 L771 A777	I681-V773 HydrophobicContact CD1-CG2 3.83Å; I681-V773 HydrophobicContact CG1-CG2 3.9Å; I681-V773 HydrophobicContact CG2-CG2 4.43Å; I742-V773 HydrophobicContact CD1-CG1 4.18Å; E743-V773 HydrophobicContact CB-CG1 4.19Å; E743-V773 VanDerWaalsContact OE1-CA 3.23Å; E743-V773 WeakPolarHBondContact OE1-CA 3.38Å; L771-V773 HydrophobicContact CB-CG1 4.49Å; L771-V773 HydrophobicContact CB-CG2 3.91Å; V773-A777 HydrophobicContact CB-CB 3.73Å; V773-A777 HydrophobicContact CG1-CB 4.34Å; V773-A777 HydrophobicContact CG2-CB 3.46Å; V773-A777 VanDerWaalsContact CG2-CB 3.46Å
774	S	93	Very high	95.5	Very high	44 Å²	44	48.4 Å²	48.4	31%	0.308	24%	0.242	S	C	.	.			trans	-72.5	164.7	171.2	81.8	0	0	0	0	113.1	E743 N776 A777	E743-S774 PolarHBondContact OE1-N 3.27Å; E743-S774 VanDerWaalsContact OE1-N 3.07Å; E743-S774 WeakPolarHBondContact OE2-CA 3.3Å; E743-S774 WeakPolarHBondContact OE2-CB 3.23Å; E743-S774 PolarHBondContact OE2-N 2.84Å; E743-S774 PolarHBondContact OE2-OG 2.9Å; S774-N776 PolarHBondContact O-N 2.71Å; S774-N776 PolarHBondContact OG-N 2.79Å; S774-A777 WeakPolarHBondContact O-CB 3.39Å; S774-A777 PolarHBondContact O-N 2.89Å
775	G	92.4	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.5	176.7	0	0	0	0	0	114.7	A777 I778 F827	G775-A777 VanDerWaalsContact C-N 3.25Å; G775-A777 PolarHBondContact O-N 2.74Å; G775-I778 WeakPolarHBondContact O-CB 3.35Å; G775-I778 WeakPolarHBondContact O-CG1 3.46Å; G775-I778 PolarHBondContact O-N 2.87Å; G775-F827 WeakPolarHBondContact O-CE1 3.47Å
776	N	94.8	Very high	95.4	Very high	77 Å²	77	38.1 Å²	38.1	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-65.9	-28.5	174.8	-70.3	-54	0	0	0	112.6	S774 I778 K779 R780 F827	S774-N776 PolarHBondContact O-N 2.71Å; S774-N776 PolarHBondContact OG-N 2.79Å; N776-I778 PolarHBondContact O-N 3.38Å; N776-K779 PolarHBondContact O-N 3.02Å; N776-R780 WeakPolarHBondContact O-CG 3.33Å; N776-R780 PolarHBondContact O-N 3.28Å; N776-F827 WeakPolarHBondContact OD1-CE1 3.37Å
777	A	95.9	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-27.1	175.9	0	0	0	0	0	112.9	I681 I742 V773 S774 G775 K779 R780 L781	I681-A777 HydrophobicContact CD1-CB 4.38Å; I742-A777 HydrophobicContact CB-CB 4.35Å; I742-A777 HydrophobicContact CD1-CB 4.23Å; V773-A777 HydrophobicContact CB-CB 3.73Å; V773-A777 HydrophobicContact CG1-CB 4.34Å; V773-A777 HydrophobicContact CG2-CB 3.46Å; V773-A777 VanDerWaalsContact CG2-CB 3.46Å; S774-A777 WeakPolarHBondContact O-CB 3.39Å; S774-A777 PolarHBondContact O-N 2.89Å; G775-A777 VanDerWaalsContact C-N 3.25Å; G775-A777 PolarHBondContact O-N 2.74Å; A777-K779 PolarHBondContact O-N 3.24Å; A777-R780 PolarHBondContact O-N 2.55Å; A777-L781 WeakPolarHBondContact O-CB 3.42Å; A777-L781 WeakPolarHBondContact O-CG 3.29Å; A777-L781 PolarHBondContact O-N 2.66Å
778	I	96.3	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-48.4	176.3	-56	166.1	0	0	0	110	I681 L683 G775 N776 R780 L781 Q782 P788 A790 F831	I681-I778 HydrophobicContact CD1-CG1 3.83Å; I681-I778 HydrophobicContact CG2-CG1 4.33Å; L683-I778 HydrophobicContact CD1-CD1 4.02Å; G775-I778 WeakPolarHBondContact O-CB 3.35Å; G775-I778 WeakPolarHBondContact O-CG1 3.46Å; G775-I778 PolarHBondContact O-N 2.87Å; N776-I778 PolarHBondContact O-N 3.38Å; I778-R780 VanDerWaalsContact C-N 3.35Å; I778-R780 PolarHBondContact O-N 3.41Å; I778-L781 PolarHBondContact O-N 3.33Å; I778-Q782 WeakPolarHBondContact O-CG 3.39Å; I778-Q782 PolarHBondContact O-N 2.85Å; I778-P788 HydrophobicContact CG2-CG 3.94Å; I778-A790 HydrophobicContact CD1-CB 3.75Å; I778-A790 HydrophobicContact CG1-CB 4.14Å; I778-A790 HydrophobicContact CG2-CB 4.36Å; I778-F831 HydrophobicContact CD1-CD1 4.39Å; I778-F831 HydrophobicContact CD1-CE1 4.48Å
779	K	94.3	Very high	95.4	Very high	59 Å²	59	33.6 Å²	33.6	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-61.1	-42.8	177.7	-65.3	165.8	176	166.7	0	111.3	N776 A777 Q782 Q783 Y830	N776-K779 PolarHBondContact O-N 3.02Å; A777-K779 PolarHBondContact O-N 3.24Å; K779-Q782 PolarHBondContact O-N 2.82Å; K779-Q783 VanDerWaalsContact O-CG 3.27Å; K779-Q783 WeakPolarHBondContact O-CG 3.09Å; K779-Q783 PolarHBondContact O-N 3.44Å; K779-Y830 HydrophobicContact CD-CE1 4.35Å; K779-Y830 HydrophobicContact CD-CE2 4.46Å; K779-Y830 WeakPolarHBondContact CE-OH 3.45Å; K779-Y830 HydrophobicContact CG-CD1 4Å; K779-Y830 HydrophobicContact CG-CE1 3.78Å
780	R	95.4	Very high	95.4	Very high	62 Å²	62	33.6 Å²	33.6	23%	0.234	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-39.4	179.4	-61.3	-76.4	-79.8	-165.6	-6.3	112.2	N739 F741 I742 N776 A777 I778 A784	N739-R780 PolarHBondContact OD1-NH1 3.21Å; N739-R780 PolarHBondContact OD1-NH2 2.78Å; F741-R780 PolarHBondContact O-NE 3.32Å; F741-R780 VanDerWaalsContact O-NE 3.13Å; F741-R780 PolarHBondContact O-NH2 2.66Å; I742-R780 HydrophobicContact CB-CB 4.22Å; I742-R780 HydrophobicContact CG2-CB 4.35Å; I742-R780 WeakPolarHBondContact O-CG 3.33Å; N776-R780 WeakPolarHBondContact O-CG 3.33Å; N776-R780 PolarHBondContact O-N 3.28Å; A777-R780 PolarHBondContact O-N 2.55Å; I778-R780 VanDerWaalsContact C-N 3.35Å; I778-R780 PolarHBondContact O-N 3.41Å; R780-A784 WeakPolarHBondContact O-CB 3.23Å; R780-A784 PolarHBondContact O-N 3.4Å
781	L	96.6	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-41.5	175.6	-78.5	167.8	0	0	0	112.7	I681 I742 V759 L771 A777 I778 A784 Q785 L786 P788	I681-L781 HydrophobicContact CD1-CD1 3.66Å; I742-L781 HydrophobicContact CB-CG 4.47Å; I742-L781 HydrophobicContact CD1-CD1 4.27Å; I742-L781 HydrophobicContact CD1-CD2 4.44Å; I742-L781 HydrophobicContact CD1-CG 4.36Å; I742-L781 HydrophobicContact CG2-CD2 3.76Å; I742-L781 HydrophobicContact CG2-CG 3.89Å; V759-L781 HydrophobicContact CG1-CD2 4.11Å; L771-L781 HydrophobicContact CD1-CD1 3.72Å; A777-L781 WeakPolarHBondContact O-CB 3.42Å; A777-L781 WeakPolarHBondContact O-CG 3.29Å; A777-L781 PolarHBondContact O-N 2.66Å; I778-L781 PolarHBondContact O-N 3.33Å; L781-A784 CarbonylContact O-C 3.59Å; L781-A784 WeakPolarHBondContact O-CA 3.41Å; L781-A784 PolarHBondContact O-N 2.72Å; L781-A784 VanDerWaalsContact O-N 3.12Å; L781-Q785 PolarHBondContact O-N 3.44Å; L781-L786 HydrophobicContact CD2-CB 3.9Å; L781-L786 HydrophobicContact CD2-CD1 4.15Å; L781-L786 PolarHBondContact O-N 3.49Å; L781-P788 HydrophobicContact CB-CG 4.41Å; L781-P788 HydrophobicContact CD1-CB 4.23Å; L781-P788 HydrophobicContact CD1-CG 4.34Å
782	Q	94	Very high	95.5	Very high	42 Å²	42	33 Å²	33	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-44.2	173.6	-71.8	170.6	-21.5	0	0	111.6	I778 K779 A784 Q785 Y787	I778-Q782 WeakPolarHBondContact O-CG 3.39Å; I778-Q782 PolarHBondContact O-N 2.85Å; K779-Q782 PolarHBondContact O-N 2.82Å; Q782-A784 PolarHBondContact O-N 2.98Å; Q782-Q785 PolarHBondContact O-N 2.98Å; Q782-Q785 VanDerWaalsContact O-N 3.08Å; Q782-Q785 PolarHBondContact O-NE2 3.17Å; Q782-Y787 HydrophobicContact CG-CD1 4.1Å; Q782-Y787 HydrophobicContact CG-CE1 4.42Å
783	Q	93.3	Very high	95.7	Very high	142 Å²	142	28.3 Å²	28.3	66%	0.664	14%	0.139	S	C	*	.	H	α-helix	trans	-58.9	-35.4	172.4	-73	168.5	-8.9	0	0	112.4	K779 Q785	K779-Q783 VanDerWaalsContact O-CG 3.27Å; K779-Q783 WeakPolarHBondContact O-CG 3.09Å; K779-Q783 PolarHBondContact O-N 3.44Å; Q783-Q785 VanDerWaalsContact C-N 3.27Å; Q783-Q785 PolarHBondContact O-N 3.19Å
784	A	94.6	Very high	95.8	Very high	18 Å²	18	30.7 Å²	30.7	15%	0.149	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.2	176.8	0	0	0	0	0	115	I756 R760 R780 L781 Q782 L786	I756-A784 HydrophobicContact CD1-CB 3.79Å; I756-A784 HydrophobicContact CG1-CB 4.13Å; I756-A784 HydrophobicContact CG2-CB 3.85Å; R760-A784 PolarHBondContact NH2-O 3.48Å; R780-A784 WeakPolarHBondContact O-CB 3.23Å; R780-A784 PolarHBondContact O-N 3.4Å; L781-A784 CarbonylContact O-C 3.59Å; L781-A784 WeakPolarHBondContact O-CA 3.41Å; L781-A784 PolarHBondContact O-N 2.72Å; L781-A784 VanDerWaalsContact O-N 3.12Å; Q782-A784 PolarHBondContact O-N 2.98Å; A784-L786 VanDerWaalsContact C-N 3.25Å; A784-L786 PolarHBondContact O-N 2.97Å
785	Q	94.6	Very high	95.8	Very high	96 Å²	96	28.9 Å²	28.9	45%	0.449	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	30.4	-175.2	-63.4	-69.4	-81	0	0	114.3	Y676 L781 Q782 Q783 Y787	Y676-Q785 PolarHBondContact OH-O 2.91Å; L781-Q785 PolarHBondContact O-N 3.44Å; Q782-Q785 PolarHBondContact O-N 2.98Å; Q782-Q785 VanDerWaalsContact O-N 3.08Å; Q782-Q785 PolarHBondContact O-NE2 3.17Å; Q783-Q785 VanDerWaalsContact C-N 3.27Å; Q783-Q785 PolarHBondContact O-N 3.19Å; Q785-Y787 PolarHBondContact NE2-OH 3.34Å
786	L	95.8	Very high	95.8	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.155	C	C	.	.			trans	-115.2	65.4	176.5	-68.7	176	0	0	0	110.5	Y676 I756 R760 L781 A784 P788	Y676-L786 HydrophobicContact CD1-CD2 4.48Å; Y676-L786 HydrophobicContact CD2-CD2 4.4Å; Y676-L786 HydrophobicContact CE1-CD2 4.35Å; Y676-L786 HydrophobicContact CE2-CD2 4.3Å; I756-L786 HydrophobicContact CG2-CD1 3.96Å; R760-L786 HydrophobicContact CB-CD1 4.09Å; L781-L786 HydrophobicContact CD2-CB 3.9Å; L781-L786 HydrophobicContact CD2-CD1 4.15Å; L781-L786 PolarHBondContact O-N 3.49Å; A784-L786 VanDerWaalsContact C-N 3.25Å; A784-L786 PolarHBondContact O-N 2.97Å; L786-P788 WeakPolarHBondContact O-CD 3.45Å; L786-P788 VanDerWaalsContact O-N 3.07Å
787	Y	96.2	Very high	95.8	Very high	31 Å²	31	31.2 Å²	31.2	12%	0.122	15%	0.147	C	C	.	.			trans	-55.2	108.5	-175	-64.4	-85.2	0	0	0	113.1	Y676 R678 Q782 Q785 I859 V861	Y676-Y787 PolarHBondContact OH-N 3.37Å; R678-Y787 PolarHBondContact NE-O 2.96Å; Q782-Y787 HydrophobicContact CG-CD1 4.1Å; Q782-Y787 HydrophobicContact CG-CE1 4.42Å; Q785-Y787 PolarHBondContact NE2-OH 3.34Å; Y787-I859 HydrophobicContact CD2-CD1 3.91Å; Y787-I859 HydrophobicContact CG-CD1 4Å; Y787-V861 HydrophobicContact CD1-CB 4.19Å; Y787-V861 HydrophobicContact CD1-CG1 3.64Å; Y787-V861 HydrophobicContact CD2-CG1 3.81Å; Y787-V861 HydrophobicContact CE1-CB 3.79Å; Y787-V861 HydrophobicContact CE1-CG1 3.63Å; Y787-V861 HydrophobicContact CE2-CG1 3.81Å; Y787-V861 HydrophobicContact CG-CG1 3.72Å
788	P	97.5	Very high	95.7	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.039	15%	0.152	C	C	.	.			trans	-78.6	169.9	-175.6	33.4	-35	0	0	0	112	R678 P679 I681 I778 L781 L786	R678-P788 PolarHBondContact NH2-O 2.9Å; P679-P788 HydrophobicContact CB-CB 4.37Å; P679-P788 CarbonylContact O-C 3.5Å; P679-P788 WeakPolarHBondContact O-CA 3.43Å; P679-P788 WeakPolarHBondContact O-CB 3.4Å; I681-P788 HydrophobicContact CD1-CB 4.37Å; I778-P788 HydrophobicContact CG2-CG 3.94Å; L781-P788 HydrophobicContact CB-CG 4.41Å; L781-P788 HydrophobicContact CD1-CB 4.23Å; L781-P788 HydrophobicContact CD1-CG 4.34Å; L786-P788 WeakPolarHBondContact O-CD 3.45Å; L786-P788 VanDerWaalsContact O-N 3.07Å
789	I	98	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.8	159.7	-53.9	166	0	0	0	105.5	R678 P679 V680 I681 I791 T832 I850 I851 Q854	R678-I789 HydrophobicContact CB-CD1 3.98Å; R678-I789 HydrophobicContact CB-CG1 3.87Å; P679-I789 PolarHBondContact O-N 2.98Å; V680-I789 WeakPolarHBondContact CA-O 3.36Å; V680-I789 HydrophobicContact CG2-CB 4.25Å; V680-I789 HydrophobicContact CG2-CD1 4.13Å; I681-I789 PolarHBondContact N-O 3.33Å; I789-I791 HydrophobicContact CG2-CD1 3.98Å; I789-I791 HydrophobicContact CG2-CG1 3.91Å; I789-T832 HydrophobicContact CG2-CG2 4.37Å; I789-I850 HydrophobicContact CG2-CG2 4.47Å; I789-I851 HydrophobicContact CD1-CG2 4.33Å; I789-Q854 HydrophobicContact CD1-CB 3.75Å; I789-Q854 HydrophobicContact CG1-CB 3.87Å; I789-Q854 HydrophobicContact CG2-CB 4.16Å; I789-Q854 HydrophobicContact CG2-CG 4.38Å
790	A	97.9	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.2	-178.6	0	0	0	0	0	109.6	I681 I778 T832 A833	I681-A790 WeakPolarHBondContact O-CA 3.25Å; I778-A790 HydrophobicContact CD1-CB 3.75Å; I778-A790 HydrophobicContact CG1-CB 4.14Å; I778-A790 HydrophobicContact CG2-CB 4.36Å; A790-T832 PolarHBondContact N-OG1 2.87Å; A790-T832 WeakPolarHBondContact O-CA 3.49Å; A790-T832 WeakPolarHBondContact O-CB 3.42Å; A790-T832 PolarHBondContact O-N 3Å; A790-A833 PolarHBondContact O-N 3.28Å
791	I	98.4	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.4	-175.1	-50.1	175.5	0	0	0	109.6	I681 I682 L683 I789 V835 I847 I850 I851	I681-I791 PolarHBondContact O-N 3.02Å; I682-I791 WeakPolarHBondContact CA-O 3.34Å; L683-I791 PolarHBondContact N-O 3.02Å; I789-I791 HydrophobicContact CG2-CD1 3.98Å; I789-I791 HydrophobicContact CG2-CG1 3.91Å; I791-V835 HydrophobicContact CG2-CB 4.44Å; I791-V835 HydrophobicContact CG2-CG2 3.55Å; I791-I847 HydrophobicContact CD1-CG2 4.12Å; I791-I847 HydrophobicContact CG2-CG1 4.16Å; I791-I850 HydrophobicContact CD1-CB 4.27Å; I791-I850 HydrophobicContact CD1-CG2 3.71Å; I791-I850 HydrophobicContact CG1-CG2 4.1Å; I791-I851 HydrophobicContact CD1-CD1 4.38Å; I791-I851 HydrophobicContact CD1-CG1 3.84Å
792	F	98.2	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.9	177.6	176	-118.8	0	0	0	111.5	L683 K794 A820 L823 E824 F831 A833 I834 V835	L683-F792 HydrophobicContact CB-CD2 4.16Å; F792-K794 HydrophobicContact CD1-CB 3.92Å; F792-K794 HydrophobicContact CE1-CB 3.58Å; F792-K794 HydrophobicContact CE1-CD 4.41Å; F792-K794 HydrophobicContact CE1-CG 3.91Å; F792-K794 HydrophobicContact CZ-CB 4.35Å; F792-K794 PolarHBondContact O-N 3.07Å; F792-A820 HydrophobicContact CE2-CB 4.33Å; F792-A820 HydrophobicContact CZ-CB 4.08Å; F792-A820 VanDerWaalsContact CZ-O 3.25Å; F792-A820 WeakPolarHBondContact CZ-O 3.33Å; F792-L823 HydrophobicContact CE2-CB 4.12Å; F792-E824 HydrophobicContact CD1-CB 4.46Å; F792-E824 HydrophobicContact CD1-CG 4.36Å; F792-E824 HydrophobicContact CE1-CB 3.67Å; F792-E824 HydrophobicContact CE1-CG 3.85Å; F792-E824 HydrophobicContact CZ-CB 3.97Å; F792-F831 HydrophobicContact CB-CD1 4.14Å; F792-F831 HydrophobicContact CB-CD2 3.45Å; F792-F831 VanDerWaalsContact CB-CD2 3.45Å; F792-F831 HydrophobicContact CB-CE1 4.13Å; F792-F831 HydrophobicContact CB-CE2 3.42Å; F792-F831 VanDerWaalsContact CB-CE2 3.42Å; F792-F831 HydrophobicContact CB-CG 3.82Å; F792-F831 HydrophobicContact CB-CZ 3.78Å; F792-F831 HydrophobicContact CD1-CD2 4.15Å; F792-F831 AromaticContact CD1-CE2 3.65Å; F792-F831 HydrophobicContact CD1-CE2 3.65Å; F792-F831 HydrophobicContact CD1-CZ 4.39Å; F792-F831 HydrophobicContact CD2-CE2 4.14Å; F792-F831 HydrophobicContact CD2-CZ 4.06Å; F792-F831 HydrophobicContact CE1-CE2 4.46Å; F792-F831 AromaticContact CG-CD2 3.98Å; F792-F831 HydrophobicContact CG-CD2 3.98Å; F792-F831 AromaticContact CG-CE2 3.46Å; F792-F831 HydrophobicContact CG-CE2 3.46Å; F792-F831 VanDerWaalsContact CG-CE2 3.46Å; F792-F831 AromaticContact CG-CZ 3.82Å; F792-F831 HydrophobicContact CG-CZ 3.82Å; F792-A833 PolarHBondContact N-O 2.84Å; F792-I834 HydrophobicContact CB-CG1 4.47Å; F792-I834 HydrophobicContact CD1-CG1 4.27Å; F792-I834 HydrophobicContact CD1-CG2 4.16Å; F792-I834 CarbonylContact O-C 3.55Å; F792-I834 WeakPolarHBondContact O-CA 3.4Å; F792-V835 PolarHBondContact O-N 2.85Å
793	I	97.8	Very high	94.6	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.1	172	-57.6	172.2	0	0	0	107.5	I682 L683 P685 V690 I843 I847	I682-I793 HydrophobicContact CG2-CD1 3.72Å; I682-I793 HydrophobicContact CG2-CG1 4.15Å; L683-I793 PolarHBondContact O-N 2.75Å; P685-I793 WeakPolarHBondContact CD-O 3.45Å; P685-I793 VanDerWaalsContact O-CD1 3.28Å; P685-I793 WeakPolarHBondContact O-CD1 3.5Å; V690-I793 HydrophobicContact CG2-CD1 4.33Å; I793-I843 HydrophobicContact CD1-CG2 4.05Å; I793-I843 HydrophobicContact CG1-CG2 4.11Å; I793-I843 HydrophobicContact CG2-CD1 4.24Å; I793-I843 HydrophobicContact CG2-CG2 4.09Å; I793-I847 HydrophobicContact CD1-CD1 3.82Å; I793-I847 HydrophobicContact CG1-CD1 3.93Å
794	K	96.1	Very high	94.3	Very high	58 Å²	58	35 Å²	35	25%	0.252	17%	0.172	S	C	.	.			trans	-98	114	-177.3	-179.1	179.3	177.5	163	0	110.5	F792 M821 E824 I834 V835 Q836	F792-K794 HydrophobicContact CD1-CB 3.92Å; F792-K794 HydrophobicContact CE1-CB 3.58Å; F792-K794 HydrophobicContact CE1-CD 4.41Å; F792-K794 HydrophobicContact CE1-CG 3.91Å; F792-K794 HydrophobicContact CZ-CB 4.35Å; F792-K794 PolarHBondContact O-N 3.07Å; K794-M821 HydrophobicContact CG-CE 4.14Å; K794-E824 WeakPolarHBondContact CD-OE2 3.48Å; K794-E824 WeakPolarHBondContact CE-OE1 3.45Å; K794-E824 WeakPolarHBondContact CE-OE2 3.39Å; K794-E824 VanDerWaalsContact NZ-CD 3.31Å; K794-E824 IonicContact NZ-OE1 3.8Å; K794-E824 PolarHBondContact NZ-OE1 3.35Å; K794-E824 IonicContact NZ-OE2 2.66Å; K794-E824 PolarHBondContact NZ-OE2 3.05Å; K794-E824 VanDerWaalsContact NZ-OE2 3.15Å; K794-I834 HydrophobicContact CB-CG2 3.61Å; K794-I834 HydrophobicContact CD-CG2 3.82Å; K794-I834 HydrophobicContact CG-CG2 4.38Å; K794-V835 PolarHBondContact N-O 3.17Å; K794-Q836 HydrophobicContact CB-CG 4.03Å; K794-Q836 HydrophobicContact CG-CG 4.46Å; K794-Q836 WeakPolarHBondContact O-CG 3.38Å; K794-Q836 PolarHBondContact O-NE2 3.01Å
795	P	94.4	Very high	93.9	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.039	18%	0.177	C	C	.	.			trans	-63.7	140.3	178.8	27	-33.7	0	0	0	111.3	P685 L801 F817 A820 M821 Q836	P685-P795 HydrophobicContact CG-CB 4.36Å; P685-P795 HydrophobicContact CG-CG 4.26Å; P795-L801 HydrophobicContact CB-CD1 3.8Å; P795-L801 HydrophobicContact CB-CD2 4.09Å; P795-L801 HydrophobicContact CB-CG 3.87Å; P795-L801 HydrophobicContact CG-CD1 4.32Å; P795-F817 HydrophobicContact CB-CD2 3.89Å; P795-F817 HydrophobicContact CB-CE2 4.19Å; P795-F817 HydrophobicContact CG-CD2 3.6Å; P795-F817 HydrophobicContact CG-CE2 3.91Å; P795-F817 HydrophobicContact CG-CG 4.47Å; P795-A820 HydrophobicContact CG-CB 3.82Å; P795-M821 HydrophobicContact CG-CE 4.45Å; P795-Q836 PolarHBondContact O-NE2 2.8Å
796	K	93	Very high	93.5	Very high	91 Å²	91	42.3 Å²	42.3	40%	0.396	20%	0.196	S	C	.	.	S	Bend	trans	-72.1	-42.1	175.3	-65.9	-172.2	-178.9	-174.9	0	112	A800 Q836 G837 D838	K796-A800 HydrophobicContact CB-CB 4.23Å; K796-Q836 HydrophobicContact CG-CB 4.4Å; K796-G837 WeakPolarHBondContact CE-O 3.32Å; K796-D838 WeakPolarHBondContact CD-OD1 3.36Å; K796-D838 WeakPolarHBondContact CE-OD1 3.31Å; K796-D838 IonicContact NZ-OD1 3.96Å; K796-D838 PolarHBondContact NZ-OD1 2.98Å; K796-D838 IonicContact NZ-OD2 2.68Å; K796-D838 PolarHBondContact NZ-OD2 2.78Å
797	S	93.8	Very high	93.1	Very high	35 Å²	35	53.3 Å²	53.3	25%	0.245	24%	0.237	C	C	.	.			trans	-160.2	-178.2	174.9	79.1	0	0	0	0	110.9	E799 A800 L801	S797-E799 WeakPolarHBondContact CB-OE2 3.21Å; S797-E799 PolarHBondContact OG-N 3.28Å; S797-E799 PolarHBondContact OG-OE2 3.16Å; S797-A800 PolarHBondContact OG-N 3Å; S797-L801 PolarHBondContact O-N 3.37Å
798	I	93.4	Very high	92.7	Very high	22 Å²	22	53.6 Å²	53.6	11%	0.113	24%	0.239	C	C	.	.	H	α-helix	trans	-71.6	-37.3	174.8	-59.9	168.9	0	0	0	110.2	L801 M802 Y810 A813 N814 F817	I798-L801 WeakPolarHBondContact O-CB 3.4Å; I798-L801 PolarHBondContact O-N 3.27Å; I798-M802 PolarHBondContact O-N 3.07Å; I798-M802 VanDerWaalsContact O-N 3.14Å; I798-Y810 HydrophobicContact CB-CE2 4.35Å; I798-Y810 HydrophobicContact CG2-CD2 3.9Å; I798-Y810 HydrophobicContact CG2-CE2 3.66Å; I798-A813 HydrophobicContact CG2-CB 3.71Å; I798-N814 HydrophobicContact CD1-CB 4.25Å; I798-N814 WeakPolarHBondContact CD1-OD1 3.38Å; I798-F817 HydrophobicContact CG1-CB 3.94Å; I798-F817 HydrophobicContact CG1-CD1 4.28Å; I798-F817 HydrophobicContact CG1-CD2 4.18Å; I798-F817 HydrophobicContact CG1-CG 3.87Å
799	E	91.8	Very high	92.5	Very high	103 Å²	103	56.6 Å²	56.6	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-45.3	178	-56.2	70.8	-153	0	0	110.6	S797 L801 M802 E803	S797-E799 WeakPolarHBondContact CB-OE2 3.21Å; S797-E799 PolarHBondContact OG-N 3.28Å; S797-E799 PolarHBondContact OG-OE2 3.16Å; E799-L801 PolarHBondContact O-N 3.09Å; E799-M802 CarbonylContact O-C 3.53Å; E799-M802 WeakPolarHBondContact O-CA 3.27Å; E799-M802 WeakPolarHBondContact O-CB 3.32Å; E799-M802 PolarHBondContact O-N 3.16Å; E799-E803 PolarHBondContact O-N 3.12Å
800	A	91	Very high	92.3	Very high	14 Å²	14	62.2 Å²	62.2	12%	0.116	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-33.4	176.1	0	0	0	0	0	112.8	K796 S797 E803 M804	K796-A800 HydrophobicContact CB-CB 4.23Å; S797-A800 PolarHBondContact OG-N 3Å; A800-E803 PolarHBondContact O-N 3.41Å; A800-M804 WeakPolarHBondContact O-CE 3.37Å; A800-M804 WeakPolarHBondContact O-CG 3.08Å; A800-M804 PolarHBondContact O-N 3.37Å
801	L	91.7	Very high	92.1	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-41.9	172.6	-74.8	167	0	0	0	112.1	P685 P795 S797 I798 E799 E803 M804 N805 A813 I816 F817	P685-L801 HydrophobicContact CB-CD2 3.52Å; P685-L801 HydrophobicContact CG-CD2 3.69Å; P795-L801 HydrophobicContact CB-CD1 3.8Å; P795-L801 HydrophobicContact CB-CD2 4.09Å; P795-L801 HydrophobicContact CB-CG 3.87Å; P795-L801 HydrophobicContact CG-CD1 4.32Å; S797-L801 PolarHBondContact O-N 3.37Å; I798-L801 WeakPolarHBondContact O-CB 3.4Å; I798-L801 PolarHBondContact O-N 3.27Å; E799-L801 PolarHBondContact O-N 3.09Å; L801-E803 VanDerWaalsContact C-N 3.34Å; L801-M804 HydrophobicContact CD2-CE 4.16Å; L801-M804 PolarHBondContact O-N 2.69Å; L801-N805 PolarHBondContact O-N 3.22Å; L801-A813 HydrophobicContact CB-CB 4.14Å; L801-I816 HydrophobicContact CD1-CB 4.4Å; L801-I816 HydrophobicContact CD1-CG2 3.96Å; L801-I816 HydrophobicContact CD2-CG2 4.07Å; L801-F817 HydrophobicContact CD1-CB 3.94Å; L801-F817 HydrophobicContact CD1-CD2 4.21Å
802	M	90.9	Very high	91.9	Very high	60 Å²	60	73.1 Å²	73.1	30%	0.296	33%	0.33	S	S	.	.	H	α-helix	trans	-68.2	-32	175.4	-64.7	-177.4	68.2	0	0	112.6	I798 E799 N805 R806 Y810 A813	I798-M802 PolarHBondContact O-N 3.07Å; I798-M802 VanDerWaalsContact O-N 3.14Å; E799-M802 CarbonylContact O-C 3.53Å; E799-M802 WeakPolarHBondContact O-CA 3.27Å; E799-M802 WeakPolarHBondContact O-CB 3.32Å; E799-M802 PolarHBondContact O-N 3.16Å; M802-N805 CarbonylContact O-C 3.59Å; M802-R806 VanDerWaalsContact O-CA 3.23Å; M802-R806 WeakPolarHBondContact O-CA 3.38Å; M802-R806 PolarHBondContact O-N 3.27Å; M802-R806 VanDerWaalsContact O-N 3.08Å; M802-Y810 HydrophobicContact SD-CD2 3.83Å; M802-Y810 HydrophobicContact SD-CG 4.33Å; M802-A813 HydrophobicContact CG-CB 3.6Å; M802-A813 HydrophobicContact SD-CB 4.41Å
803	E	88.8	Confident	91.7	Very high	136 Å²	136	73.1 Å²	73.1	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-69.8	-43	174.6	-72.7	-174.4	170.4	0	0	112.1	E799 A800 L801	E799-E803 PolarHBondContact O-N 3.12Å; A800-E803 PolarHBondContact O-N 3.41Å; L801-E803 VanDerWaalsContact C-N 3.34Å
804	M	86	Confident	91.6	Very high	45 Å²	45	75 Å²	75	22%	0.222	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-35	174.1	-75.4	-173.3	-78.3	0	0	112.9	A800 L801 I843	A800-M804 WeakPolarHBondContact O-CE 3.37Å; A800-M804 WeakPolarHBondContact O-CG 3.08Å; A800-M804 PolarHBondContact O-N 3.37Å; L801-M804 HydrophobicContact CD2-CE 4.16Å; L801-M804 PolarHBondContact O-N 2.69Å; M804-I843 HydrophobicContact SD-CD1 3.72Å
805	N	87.2	Confident	91.6	Very high	45 Å²	45	79 Å²	79	24%	0.241	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	81.4	175.3	-169.2	-5.4	0	0	0	112.4	L801 M802 R807 Q808	L801-N805 PolarHBondContact O-N 3.22Å; M802-N805 CarbonylContact O-C 3.59Å; N805-R807 PolarHBondContact O-N 2.98Å; N805-R807 PolarHBondContact OD1-N 3.12Å; N805-Q808 HydrophobicContact CB-CG 4.21Å; N805-Q808 PolarHBondContact ND2-NE2 3.01Å; N805-Q808 PolarHBondContact O-N 3.21Å
806	R	85.1	Confident	91.7	Very high	224 Å²	224	80.9 Å²	80.9	85%	0.845	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-1.5	-178.7	-57.7	-176.4	-177	-172.2	-1.9	116	M802	M802-R806 VanDerWaalsContact O-CA 3.23Å; M802-R806 WeakPolarHBondContact O-CA 3.38Å; M802-R806 PolarHBondContact O-N 3.27Å; M802-R806 VanDerWaalsContact O-N 3.08Å
807	R	87.8	Confident	91.8	Very high	234 Å²	234	78.6 Å²	78.6	88%	0.883	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.6	172.9	-63.5	-177.1	178.9	177.9	0.4	113.2	N805	N805-R807 PolarHBondContact O-N 2.98Å; N805-R807 PolarHBondContact OD1-N 3.12Å
808	Q	88.1	Confident	91.9	Very high	37 Å²	37	81.2 Å²	81.2	17%	0.173	37%	0.369	C	S	.	.	S	Bend	trans	-84.3	143.3	179.8	-71.6	179.4	-15	0	0	112	N805 Q812	N805-Q808 HydrophobicContact CB-CG 4.21Å; N805-Q808 PolarHBondContact ND2-NE2 3.01Å; N805-Q808 PolarHBondContact O-N 3.21Å; Q808-Q812 HydrophobicContact CB-CB 4.37Å
809	T	93.4	Very high	92	Very high	69 Å²	69	87.3 Å²	87.3	42%	0.423	39%	0.394	S	S	.	.			trans	-79.3	159.1	171.8	70.3	0	0	0	0	110.9	E811 Q812 A813	T809-E811 PolarHBondContact O-N 2.86Å; T809-Q812 WeakPolarHBondContact O-CB 3.32Å; T809-Q812 PolarHBondContact O-N 2.79Å; T809-Q812 WeakPolarHBondContact OG1-CG 3.36Å; T809-Q812 PolarHBondContact OG1-N 2.97Å; T809-A813 PolarHBondContact O-N 2.89Å
810	Y	93.8	Very high	92.2	Very high	119 Å²	119	82.5 Å²	82.5	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-54.5	-39.9	175.6	-177	-85.6	0	0	0	112.2	I798 M802 Q812 A813 N814	I798-Y810 HydrophobicContact CB-CE2 4.35Å; I798-Y810 HydrophobicContact CG2-CD2 3.9Å; I798-Y810 HydrophobicContact CG2-CE2 3.66Å; M802-Y810 HydrophobicContact SD-CD2 3.83Å; M802-Y810 HydrophobicContact SD-CG 4.33Å; Y810-Q812 VanDerWaalsContact C-N 3.34Å; Y810-Q812 PolarHBondContact O-N 3.02Å; Y810-A813 PolarHBondContact O-N 2.89Å; Y810-N814 HydrophobicContact CE1-CB 4.45Å; Y810-N814 WeakPolarHBondContact O-CB 3.32Å; Y810-N814 PolarHBondContact O-N 3.11Å
811	E	94.6	Very high	92.4	Very high	134 Å²	134	84.7 Å²	84.7	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-34.9	176.7	-60.8	179.7	-179.8	0	0	113.4	T809 K815	T809-E811 PolarHBondContact O-N 2.86Å; E811-K815 WeakPolarHBondContact O-CD 3.35Å; E811-K815 VanDerWaalsContact O-CG 3.26Å; E811-K815 WeakPolarHBondContact O-CG 3.34Å; E811-K815 PolarHBondContact O-N 3.5Å; E811-K815 VanDerWaalsContact O-N 3.15Å
812	Q	93.9	Very high	92.5	Very high	94 Å²	94	90.6 Å²	90.6	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-71.3	-45.6	174.8	-69.6	167.3	-8.4	0	0	110.4	Q808 T809 Y810 N814 K815 I816	Q808-Q812 HydrophobicContact CB-CB 4.37Å; T809-Q812 WeakPolarHBondContact O-CB 3.32Å; T809-Q812 PolarHBondContact O-N 2.79Å; T809-Q812 WeakPolarHBondContact OG1-CG 3.36Å; T809-Q812 PolarHBondContact OG1-N 2.97Å; Y810-Q812 VanDerWaalsContact C-N 3.34Å; Y810-Q812 PolarHBondContact O-N 3.02Å; Q812-N814 PolarHBondContact O-N 3.37Å; Q812-K815 PolarHBondContact O-N 2.79Å; Q812-I816 VanDerWaalsContact O-CG1 3.29Å; Q812-I816 WeakPolarHBondContact O-CG1 3.35Å; Q812-I816 PolarHBondContact O-N 3.38Å
813	A	94.3	Very high	92.7	Very high	0 Å²	0	89.1 Å²	89.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.3	0	0	0	0	0	112.1	I798 L801 M802 T809 Y810 I816 F817	I798-A813 HydrophobicContact CG2-CB 3.71Å; L801-A813 HydrophobicContact CB-CB 4.14Å; M802-A813 HydrophobicContact CG-CB 3.6Å; M802-A813 HydrophobicContact SD-CB 4.41Å; T809-A813 PolarHBondContact O-N 2.89Å; Y810-A813 PolarHBondContact O-N 2.89Å; A813-I816 PolarHBondContact O-N 3.34Å; A813-F817 WeakPolarHBondContact O-CB 3.35Å; A813-F817 PolarHBondContact O-N 3.42Å
814	N	95.7	Very high	92.9	Very high	46 Å²	46	84.3 Å²	84.3	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-61.5	-47.4	174.3	-162.5	114.4	0	0	0	111.3	I798 Y810 Q812 I816 F817 D818	I798-N814 HydrophobicContact CD1-CB 4.25Å; I798-N814 WeakPolarHBondContact CD1-OD1 3.38Å; Y810-N814 HydrophobicContact CE1-CB 4.45Å; Y810-N814 WeakPolarHBondContact O-CB 3.32Å; Y810-N814 PolarHBondContact O-N 3.11Å; Q812-N814 PolarHBondContact O-N 3.37Å; N814-I816 VanDerWaalsContact C-N 3.28Å; N814-I816 PolarHBondContact O-N 2.63Å; N814-F817 WeakPolarHBondContact O-CB 3.37Å; N814-F817 PolarHBondContact O-N 3.13Å; N814-F817 VanDerWaalsContact O-N 3.13Å; N814-D818 PolarHBondContact ND2-OD1 3.05Å; N814-D818 PolarHBondContact ND2-OD2 2.76Å; N814-D818 VanDerWaalsContact O-CG 3.23Å; N814-D818 PolarHBondContact O-N 2.81Å
815	K	95.9	Very high	93.2	Very high	140 Å²	140	89.9 Å²	89.9	61%	0.609	40%	0.402	S	S	*	.	H	α-helix	trans	-61.6	-35.3	176.7	-73.9	167.3	-176.2	168.5	0	112.7	E811 Q812 K819	E811-K815 WeakPolarHBondContact O-CD 3.35Å; E811-K815 VanDerWaalsContact O-CG 3.26Å; E811-K815 WeakPolarHBondContact O-CG 3.34Å; E811-K815 PolarHBondContact O-N 3.5Å; E811-K815 VanDerWaalsContact O-N 3.15Å; Q812-K815 PolarHBondContact O-N 2.79Å; K815-K819 VanDerWaalsContact O-CB 3.3Å; K815-K819 WeakPolarHBondContact O-CB 3.12Å; K815-K819 PolarHBondContact O-N 2.86Å; K815-K819 VanDerWaalsContact O-N 3.12Å
816	I	95	Very high	93.5	Very high	46 Å²	46	91.4 Å²	91.4	24%	0.236	41%	0.408	C	S	.	.	H	α-helix	trans	-68.9	-42.2	174.2	-70.1	164.3	0	0	0	110.6	P685 L801 Q812 A813 N814 K819 A820	P685-I816 HydrophobicContact CB-CG2 3.85Å; P685-I816 HydrophobicContact CG-CG2 3.73Å; L801-I816 HydrophobicContact CD1-CB 4.4Å; L801-I816 HydrophobicContact CD1-CG2 3.96Å; L801-I816 HydrophobicContact CD2-CG2 4.07Å; Q812-I816 VanDerWaalsContact O-CG1 3.29Å; Q812-I816 WeakPolarHBondContact O-CG1 3.35Å; Q812-I816 PolarHBondContact O-N 3.38Å; A813-I816 PolarHBondContact O-N 3.34Å; N814-I816 VanDerWaalsContact C-N 3.28Å; N814-I816 PolarHBondContact O-N 2.63Å; I816-K819 PolarHBondContact O-N 3.23Å; I816-A820 WeakPolarHBondContact O-CB 3.41Å; I816-A820 PolarHBondContact O-N 2.82Å
817	F	95.6	Very high	94	Very high	44 Å²	44	81 Å²	81	19%	0.193	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-50.9	176.2	-170.1	-90.5	0	0	0	111.8	P795 I798 L801 A813 N814 K819 A820 M821	P795-F817 HydrophobicContact CB-CD2 3.89Å; P795-F817 HydrophobicContact CB-CE2 4.19Å; P795-F817 HydrophobicContact CG-CD2 3.6Å; P795-F817 HydrophobicContact CG-CE2 3.91Å; P795-F817 HydrophobicContact CG-CG 4.47Å; I798-F817 HydrophobicContact CG1-CB 3.94Å; I798-F817 HydrophobicContact CG1-CD1 4.28Å; I798-F817 HydrophobicContact CG1-CD2 4.18Å; I798-F817 HydrophobicContact CG1-CG 3.87Å; L801-F817 HydrophobicContact CD1-CB 3.94Å; L801-F817 HydrophobicContact CD1-CD2 4.21Å; A813-F817 WeakPolarHBondContact O-CB 3.35Å; A813-F817 PolarHBondContact O-N 3.42Å; N814-F817 WeakPolarHBondContact O-CB 3.37Å; N814-F817 PolarHBondContact O-N 3.13Å; N814-F817 VanDerWaalsContact O-N 3.13Å; F817-K819 VanDerWaalsContact C-N 3.32Å; F817-K819 PolarHBondContact O-N 3.12Å; F817-A820 WeakPolarHBondContact O-CB 3.38Å; F817-A820 PolarHBondContact O-N 2.89Å; F817-A820 VanDerWaalsContact O-N 3.1Å; F817-M821 HydrophobicContact CD1-CG 3.92Å; F817-M821 HydrophobicContact CE1-CG 3.59Å; F817-M821 HydrophobicContact CE1-SD 4.09Å; F817-M821 HydrophobicContact CZ-CG 4.06Å; F817-M821 HydrophobicContact CZ-SD 3.99Å; F817-M821 WeakPolarHBondContact O-CG 3.45Å; F817-M821 PolarHBondContact O-N 2.67Å
818	D	96.1	Very high	94.2	Very high	89 Å²	89	70 Å²	70	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-58.1	-43.5	177.2	-63.2	-32.5	0	0	0	111.7	N814 A820 M821 K822	N814-D818 PolarHBondContact ND2-OD1 3.05Å; N814-D818 PolarHBondContact ND2-OD2 2.76Å; N814-D818 VanDerWaalsContact O-CG 3.23Å; N814-D818 PolarHBondContact O-N 2.81Å; D818-A820 VanDerWaalsContact C-N 3.35Å; D818-A820 PolarHBondContact O-N 3.42Å; D818-M821 PolarHBondContact O-N 3.37Å; D818-K822 PolarHBondContact O-N 3Å
819	K	95.6	Very high	94.5	Very high	150 Å²	150	71.7 Å²	71.7	65%	0.652	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-40.4	175.9	-175.2	179	178.3	-176.4	0	111.6	K815 I816 F817 L823	K815-K819 VanDerWaalsContact O-CB 3.3Å; K815-K819 WeakPolarHBondContact O-CB 3.12Å; K815-K819 PolarHBondContact O-N 2.86Å; K815-K819 VanDerWaalsContact O-N 3.12Å; I816-K819 PolarHBondContact O-N 3.23Å; F817-K819 VanDerWaalsContact C-N 3.32Å; F817-K819 PolarHBondContact O-N 3.12Å; K819-L823 HydrophobicContact CG-CD1 4.4Å; K819-L823 WeakPolarHBondContact O-CG 3.23Å; K819-L823 PolarHBondContact O-N 2.76Å
820	A	95.9	Very high	94.5	Very high	2 Å²	2	71.3 Å²	71.3	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-44.4	176.1	0	0	0	0	0	111.6	P685 F792 P795 I816 F817 D818 K822 L823 E824	P685-A820 HydrophobicContact CG-CB 4.44Å; F792-A820 HydrophobicContact CE2-CB 4.33Å; F792-A820 HydrophobicContact CZ-CB 4.08Å; F792-A820 VanDerWaalsContact CZ-O 3.25Å; F792-A820 WeakPolarHBondContact CZ-O 3.33Å; P795-A820 HydrophobicContact CG-CB 3.82Å; I816-A820 WeakPolarHBondContact O-CB 3.41Å; I816-A820 PolarHBondContact O-N 2.82Å; F817-A820 WeakPolarHBondContact O-CB 3.38Å; F817-A820 PolarHBondContact O-N 2.89Å; F817-A820 VanDerWaalsContact O-N 3.1Å; D818-A820 VanDerWaalsContact C-N 3.35Å; D818-A820 PolarHBondContact O-N 3.42Å; A820-K822 VanDerWaalsContact C-N 3.34Å; A820-K822 PolarHBondContact O-N 3Å; A820-L823 WeakPolarHBondContact O-CB 3.32Å; A820-L823 PolarHBondContact O-N 2.88Å; A820-L823 VanDerWaalsContact O-N 3.16Å; A820-E824 PolarHBondContact O-N 2.9Å
821	M	94.3	Very high	94.7	Very high	61 Å²	61	65.8 Å²	65.8	30%	0.3	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-37.1	176.8	-63.7	-66.2	89.7	0	0	112.4	K794 P795 F817 D818 E824 Q825	K794-M821 HydrophobicContact CG-CE 4.14Å; P795-M821 HydrophobicContact CG-CE 4.45Å; F817-M821 HydrophobicContact CD1-CG 3.92Å; F817-M821 HydrophobicContact CE1-CG 3.59Å; F817-M821 HydrophobicContact CE1-SD 4.09Å; F817-M821 HydrophobicContact CZ-CG 4.06Å; F817-M821 HydrophobicContact CZ-SD 3.99Å; F817-M821 WeakPolarHBondContact O-CG 3.45Å; F817-M821 PolarHBondContact O-N 2.67Å; D818-M821 PolarHBondContact O-N 3.37Å; M821-E824 WeakPolarHBondContact CE-OE2 3.4Å; M821-E824 PolarHBondContact O-N 2.82Å; M821-Q825 PolarHBondContact O-N 3.44Å
822	K	94.8	Very high	94.8	Very high	127 Å²	127	60 Å²	60	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-64.8	-43.3	171.3	-166.8	-175.1	-174.9	-110.1	0	112	D818 A820 E824 Q825 E826	D818-K822 PolarHBondContact O-N 3Å; A820-K822 VanDerWaalsContact C-N 3.34Å; A820-K822 PolarHBondContact O-N 3Å; K822-E824 VanDerWaalsContact C-N 3.3Å; K822-E824 PolarHBondContact O-N 2.96Å; K822-Q825 PolarHBondContact O-N 2.66Å; K822-E826 WeakPolarHBondContact CE-OE2 3.39Å; K822-E826 IonicContact NZ-OE2 2.74Å; K822-E826 PolarHBondContact NZ-OE2 3.44Å; K822-E826 VanDerWaalsContact O-CB 3.27Å; K822-E826 WeakPolarHBondContact O-CB 3.37Å; K822-E826 PolarHBondContact O-N 3.02Å
823	L	94.8	Very high	94.9	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-39.2	176.8	-76.1	168.9	0	0	0	112	F792 K819 A820 E826 F827	F792-L823 HydrophobicContact CE2-CB 4.12Å; K819-L823 HydrophobicContact CG-CD1 4.4Å; K819-L823 WeakPolarHBondContact O-CG 3.23Å; K819-L823 PolarHBondContact O-N 2.76Å; A820-L823 WeakPolarHBondContact O-CB 3.32Å; A820-L823 PolarHBondContact O-N 2.88Å; A820-L823 VanDerWaalsContact O-N 3.16Å; L823-E826 PolarHBondContact O-N 2.88Å; L823-F827 HydrophobicContact CD2-CD2 3.97Å; L823-F827 HydrophobicContact CD2-CE2 4.1Å; L823-F827 PolarHBondContact O-N 3.29Å
824	E	94	Very high	95	Very high	35 Å²	35	58.1 Å²	58.1	16%	0.164	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-43.4	174.3	-163.7	179.4	162.5	0	0	111.9	F792 K794 A820 M821 K822 G828	F792-E824 HydrophobicContact CD1-CB 4.46Å; F792-E824 HydrophobicContact CD1-CG 4.36Å; F792-E824 HydrophobicContact CE1-CB 3.67Å; F792-E824 HydrophobicContact CE1-CG 3.85Å; F792-E824 HydrophobicContact CZ-CB 3.97Å; K794-E824 WeakPolarHBondContact CD-OE2 3.48Å; K794-E824 WeakPolarHBondContact CE-OE1 3.45Å; K794-E824 WeakPolarHBondContact CE-OE2 3.39Å; K794-E824 VanDerWaalsContact NZ-CD 3.31Å; K794-E824 IonicContact NZ-OE1 3.8Å; K794-E824 PolarHBondContact NZ-OE1 3.35Å; K794-E824 IonicContact NZ-OE2 2.66Å; K794-E824 PolarHBondContact NZ-OE2 3.05Å; K794-E824 VanDerWaalsContact NZ-OE2 3.15Å; A820-E824 PolarHBondContact O-N 2.9Å; M821-E824 WeakPolarHBondContact CE-OE2 3.4Å; M821-E824 PolarHBondContact O-N 2.82Å; K822-E824 VanDerWaalsContact C-N 3.3Å; K822-E824 PolarHBondContact O-N 2.96Å; E824-G828 WeakPolarHBondContact O-CA 3.26Å; E824-G828 PolarHBondContact O-N 2.94Å
825	Q	91.4	Very high	95	Very high	161 Å²	161	56 Å²	56	75%	0.752	26%	0.263	S	S	*	.	H	α-helix	trans	-67.3	-35.2	177.4	-172.5	179.1	3.4	0	0	113.2	M821 K822	M821-Q825 PolarHBondContact O-N 3.44Å; K822-Q825 PolarHBondContact O-N 2.66Å
826	E	93.8	Very high	95	Very high	78 Å²	78	52.9 Å²	52.9	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-90.1	-25.2	-173	-167.5	177.2	155.6	0	0	113.4	K822 L823	K822-E826 WeakPolarHBondContact CE-OE2 3.39Å; K822-E826 IonicContact NZ-OE2 2.74Å; K822-E826 PolarHBondContact NZ-OE2 3.44Å; K822-E826 VanDerWaalsContact O-CB 3.27Å; K822-E826 WeakPolarHBondContact O-CB 3.37Å; K822-E826 PolarHBondContact O-N 3.02Å; L823-E826 PolarHBondContact O-N 2.88Å
827	F	94.9	Very high	94.8	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-130.5	4.8	-175.4	-59.5	-82.1	0	0	0	115.1	G775 N776 L823 E829 Y830 F831	G775-F827 WeakPolarHBondContact O-CE1 3.47Å; N776-F827 WeakPolarHBondContact OD1-CE1 3.37Å; L823-F827 HydrophobicContact CD2-CD2 3.97Å; L823-F827 HydrophobicContact CD2-CE2 4.1Å; L823-F827 PolarHBondContact O-N 3.29Å; F827-E829 PolarHBondContact O-N 3.18Å; F827-Y830 HydrophobicContact CB-CD2 4.43Å; F827-Y830 HydrophobicContact CD1-CD2 4.33Å; F827-Y830 PolarHBondContact O-N 3.01Å; F827-F831 HydrophobicContact CB-CE1 3.58Å; F827-F831 HydrophobicContact CB-CZ 3.68Å
828	G	93.3	Very high	94.4	Very high	3 Å²	3	54 Å²	54	3%	0.031	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.7	-175.9	0	0	0	0	0	117.1	Y547 E824	Y547-G828 WeakPolarHBondContact CE2-O 3.45Å; Y547-G828 PolarHBondContact OH-O 3.14Å; E824-G828 WeakPolarHBondContact O-CA 3.26Å; E824-G828 PolarHBondContact O-N 2.94Å
829	E	93.4	Very high	94.2	Very high	74 Å²	74	52 Å²	52	35%	0.346	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-15.9	169.6	67.9	-172.9	164.2	0	0	113.3	L527 L664 F827	L527-E829 HydrophobicContact CD1-CB 4.38Å; L664-E829 HydrophobicContact CD2-CB 3.86Å; F827-E829 PolarHBondContact O-N 3.18Å
830	Y	94.6	Very high	94	Very high	60 Å²	60	46.1 Å²	46.1	24%	0.235	23%	0.228	C	C	.	.	S	Bend	trans	-102.3	-4.3	-175.6	-54.2	-85.7	0	0	0	114.4	K779 F827	K779-Y830 HydrophobicContact CD-CE1 4.35Å; K779-Y830 HydrophobicContact CD-CE2 4.46Å; K779-Y830 WeakPolarHBondContact CE-OH 3.45Å; K779-Y830 HydrophobicContact CG-CD1 4Å; K779-Y830 HydrophobicContact CG-CE1 3.78Å; F827-Y830 HydrophobicContact CB-CD2 4.43Å; F827-Y830 HydrophobicContact CD1-CD2 4.33Å; F827-Y830 PolarHBondContact O-N 3.01Å
831	F	96.6	Very high	93.9	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	26%	0.258	C	S	.	.			trans	-76.9	140.6	179.6	-51.2	-36.7	0	0	0	110.9	Y547 L683 I778 F792 F827 I834	Y547-F831 HydrophobicContact CE1-CB 4.08Å; Y547-F831 WeakPolarHBondContact OH-CB 3.23Å; Y547-F831 PolarHBondContact OH-O 3.19Å; L683-F831 HydrophobicContact CD1-CE1 3.82Å; I778-F831 HydrophobicContact CD1-CD1 4.39Å; I778-F831 HydrophobicContact CD1-CE1 4.48Å; F792-F831 HydrophobicContact CB-CD1 4.14Å; F792-F831 HydrophobicContact CB-CD2 3.45Å; F792-F831 VanDerWaalsContact CB-CD2 3.45Å; F792-F831 HydrophobicContact CB-CE1 4.13Å; F792-F831 HydrophobicContact CB-CE2 3.42Å; F792-F831 VanDerWaalsContact CB-CE2 3.42Å; F792-F831 HydrophobicContact CB-CG 3.82Å; F792-F831 HydrophobicContact CB-CZ 3.78Å; F792-F831 HydrophobicContact CD1-CD2 4.15Å; F792-F831 AromaticContact CD1-CE2 3.65Å; F792-F831 HydrophobicContact CD1-CE2 3.65Å; F792-F831 HydrophobicContact CD1-CZ 4.39Å; F792-F831 HydrophobicContact CD2-CE2 4.14Å; F792-F831 HydrophobicContact CD2-CZ 4.06Å; F792-F831 HydrophobicContact CE1-CE2 4.46Å; F792-F831 AromaticContact CG-CD2 3.98Å; F792-F831 HydrophobicContact CG-CD2 3.98Å; F792-F831 AromaticContact CG-CE2 3.46Å; F792-F831 HydrophobicContact CG-CE2 3.46Å; F792-F831 VanDerWaalsContact CG-CE2 3.46Å; F792-F831 AromaticContact CG-CZ 3.82Å; F792-F831 HydrophobicContact CG-CZ 3.82Å; F827-F831 HydrophobicContact CB-CE1 3.58Å; F827-F831 HydrophobicContact CB-CZ 3.68Å; F831-I834 HydrophobicContact CD2-CD1 4.31Å; F831-I834 HydrophobicContact CD2-CG1 4.06Å
832	T	96.2	Very high	93.9	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.086	26%	0.258	C	S	.	.	S	Bend	trans	-76.1	-33.8	169.2	-48.1	0	0	0	0	110.9	I789 A790 Q854	I789-T832 HydrophobicContact CG2-CG2 4.37Å; A790-T832 PolarHBondContact N-OG1 2.87Å; A790-T832 WeakPolarHBondContact O-CA 3.49Å; A790-T832 WeakPolarHBondContact O-CB 3.42Å; A790-T832 PolarHBondContact O-N 3Å; T832-Q854 HydrophobicContact CG2-CG 3.95Å
833	A	96.4	Very high	93.9	Very high	12 Å²	12	46.8 Å²	46.8	10%	0.099	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	153	177	0	0	0	0	0	112.3	A790 F792 I850	A790-A833 PolarHBondContact O-N 3.28Å; F792-A833 PolarHBondContact N-O 2.84Å; A833-I850 HydrophobicContact CB-CD1 3.86Å; A833-I850 HydrophobicContact CB-CG1 4.37Å; A833-I850 HydrophobicContact CB-CG2 3.83Å
834	I	96.8	Very high	94	Very high	41 Å²	41	46.4 Å²	46.4	21%	0.21	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.9	169.6	-63.2	179.2	0	0	0	108.4	Y547 F792 K794 F831	Y547-I834 HydrophobicContact CD1-CB 4.29Å; Y547-I834 HydrophobicContact CD1-CD1 4.13Å; Y547-I834 HydrophobicContact CD1-CG1 3.8Å; Y547-I834 HydrophobicContact CD2-CD1 3.62Å; Y547-I834 HydrophobicContact CD2-CG1 4.22Å; Y547-I834 HydrophobicContact CE1-CD1 4.19Å; Y547-I834 HydrophobicContact CE1-CG1 3.87Å; Y547-I834 HydrophobicContact CE2-CD1 3.66Å; Y547-I834 HydrophobicContact CE2-CG1 4.27Å; Y547-I834 HydrophobicContact CG-CB 4.44Å; Y547-I834 HydrophobicContact CG-CD1 3.89Å; Y547-I834 HydrophobicContact CG-CG1 4.02Å; F792-I834 HydrophobicContact CB-CG1 4.47Å; F792-I834 HydrophobicContact CD1-CG1 4.27Å; F792-I834 HydrophobicContact CD1-CG2 4.16Å; F792-I834 CarbonylContact O-C 3.55Å; F792-I834 WeakPolarHBondContact O-CA 3.4Å; K794-I834 HydrophobicContact CB-CG2 3.61Å; K794-I834 HydrophobicContact CD-CG2 3.82Å; K794-I834 HydrophobicContact CG-CG2 4.38Å; F831-I834 HydrophobicContact CD2-CD1 4.31Å; F831-I834 HydrophobicContact CD2-CG1 4.06Å
835	V	96.6	Very high	94.2	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.5	-176.4	178.2	0	0	0	0	110.6	I791 F792 K794 I843 K846 I847 I850	I791-V835 HydrophobicContact CG2-CB 4.44Å; I791-V835 HydrophobicContact CG2-CG2 3.55Å; F792-V835 PolarHBondContact O-N 2.85Å; K794-V835 PolarHBondContact N-O 3.17Å; V835-I843 HydrophobicContact CG1-CB 4.34Å; V835-I843 HydrophobicContact CG1-CG1 4.35Å; V835-I843 HydrophobicContact CG1-CG2 3.99Å; V835-K846 HydrophobicContact CG1-CB 3.93Å; V835-K846 HydrophobicContact CG1-CD 4.17Å; V835-I847 HydrophobicContact CG1-CG1 4.47Å; V835-I847 HydrophobicContact CG2-CG1 4.16Å; V835-I850 HydrophobicContact CG2-CD1 3.38Å
836	Q	94.3	Very high	94.4	Very high	74 Å²	74	44.8 Å²	44.8	35%	0.346	22%	0.223	S	C	.	.			trans	-126.1	147.4	166.8	-52.8	-151.6	-78.6	0	0	110.3	K794 P795 K796 K846	K794-Q836 HydrophobicContact CB-CG 4.03Å; K794-Q836 HydrophobicContact CG-CG 4.46Å; K794-Q836 WeakPolarHBondContact O-CG 3.38Å; K794-Q836 PolarHBondContact O-NE2 3.01Å; P795-Q836 PolarHBondContact O-NE2 2.8Å; K796-Q836 HydrophobicContact CG-CB 4.4Å; Q836-K846 PolarHBondContact O-NZ 2.81Å
837	G	91.2	Very high	94.6	Very high	3 Å²	3	41 Å²	41	3%	0.031	21%	0.205	C	C	.	.			trans	-159.6	170.3	173	0	0	0	0	0	110.8	K796 E842	K796-G837 WeakPolarHBondContact CE-O 3.32Å; G837-E842 VanDerWaalsContact CA-CD 3.49Å; G837-E842 WeakPolarHBondContact CA-OE2 3.43Å
838	D	87.8	Confident	94.7	Very high	110 Å²	110	43 Å²	43	59%	0.588	21%	0.214	S	C	*	.	S	Bend	trans	-95.2	-16.1	175.1	-62.7	-59.7	0	0	0	112.2	K796 E842	K796-D838 WeakPolarHBondContact CD-OD1 3.36Å; K796-D838 WeakPolarHBondContact CE-OD1 3.31Å; K796-D838 IonicContact NZ-OD1 3.96Å; K796-D838 PolarHBondContact NZ-OD1 2.98Å; K796-D838 IonicContact NZ-OD2 2.68Å; K796-D838 PolarHBondContact NZ-OD2 2.78Å; D838-E842 PolarHBondContact N-OE2 3.29Å
839	S	90.9	Very high	94.9	Very high	48 Å²	48	48 Å²	48	34%	0.336	24%	0.236	S	C	.	.	S	Bend	trans	-131.3	156.3	172.8	84.8	0	0	0	0	112.2	E841 E842 I843	S839-E841 PolarHBondContact O-N 3.2Å; S839-E841 PolarHBondContact OG-N 3.17Å; S839-E842 PolarHBondContact O-N 2.91Å; S839-E842 PolarHBondContact OG-N 2.79Å; S839-E842 VanDerWaalsContact OG-N 3.07Å; S839-I843 WeakPolarHBondContact O-CG1 3.39Å; S839-I843 PolarHBondContact O-N 3.18Å; S839-I843 VanDerWaalsContact O-N 3.1Å
840	L	91.4	Very high	95	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-33.2	173.4	-178.8	62.1	0	0	0	112	M686 R689 V690 I843 Y844	M686-L840 HydrophobicContact CB-CD1 3.75Å; M686-L840 HydrophobicContact CG-CD1 4.21Å; R689-L840 HydrophobicContact CG-CD2 4.26Å; V690-L840 HydrophobicContact CG2-CD1 4.03Å; L840-I843 PolarHBondContact O-N 2.86Å; L840-Y844 WeakPolarHBondContact O-CB 3.15Å; L840-Y844 PolarHBondContact O-N 2.97Å
841	E	93.8	Very high	95.1	Very high	139 Å²	139	43.2 Å²	43.2	65%	0.65	22%	0.217	S	C	*	.	H	α-helix	trans	-66.5	-39.6	177.3	-177.6	179.2	-176.9	0	0	111.9	S839 Y844 N845	S839-E841 PolarHBondContact O-N 3.2Å; S839-E841 PolarHBondContact OG-N 3.17Å; E841-Y844 PolarHBondContact O-N 3.04Å; E841-N845 WeakPolarHBondContact O-CB 3.4Å; E841-N845 PolarHBondContact O-N 2.87Å; E841-N845 PolarHBondContact O-ND2 2.88Å; E841-N845 VanDerWaalsContact O-ND2 3.08Å
842	E	94.8	Very high	95	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-44.9	173.8	-169.3	-160.5	161.2	0	0	111.3	G837 D838 S839 K846	G837-E842 VanDerWaalsContact CA-CD 3.49Å; G837-E842 WeakPolarHBondContact CA-OE2 3.43Å; D838-E842 PolarHBondContact N-OE2 3.29Å; S839-E842 PolarHBondContact O-N 2.91Å; S839-E842 PolarHBondContact OG-N 2.79Å; S839-E842 VanDerWaalsContact OG-N 3.07Å; E842-K846 HydrophobicContact CG-CD 4.32Å; E842-K846 WeakPolarHBondContact O-CB 3.4Å; E842-K846 WeakPolarHBondContact O-CG 3.33Å; E842-K846 PolarHBondContact O-N 2.83Å; E842-K846 WeakPolarHBondContact OE1-CE 3.38Å; E842-K846 IonicContact OE1-NZ 2.66Å; E842-K846 PolarHBondContact OE1-NZ 2.99Å
843	I	95.6	Very high	94.8	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-46	175.8	-68.8	167.1	0	0	0	110.3	I793 M804 V835 S839 L840 K846 I847	I793-I843 HydrophobicContact CD1-CG2 4.05Å; I793-I843 HydrophobicContact CG1-CG2 4.11Å; I793-I843 HydrophobicContact CG2-CD1 4.24Å; I793-I843 HydrophobicContact CG2-CG2 4.09Å; M804-I843 HydrophobicContact SD-CD1 3.72Å; V835-I843 HydrophobicContact CG1-CB 4.34Å; V835-I843 HydrophobicContact CG1-CG1 4.35Å; V835-I843 HydrophobicContact CG1-CG2 3.99Å; S839-I843 WeakPolarHBondContact O-CG1 3.39Å; S839-I843 PolarHBondContact O-N 3.18Å; S839-I843 VanDerWaalsContact O-N 3.1Å; L840-I843 PolarHBondContact O-N 2.86Å; I843-K846 PolarHBondContact O-N 3.39Å; I843-I847 HydrophobicContact CG2-CD1 3.75Å; I843-I847 WeakPolarHBondContact O-CB 3.15Å; I843-I847 VanDerWaalsContact O-CG1 3.25Å; I843-I847 WeakPolarHBondContact O-CG1 3.1Å; I843-I847 PolarHBondContact O-N 3.5Å
844	Y	97.1	Very high	94.7	Very high	21 Å²	21	53.2 Å²	53.2	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-47.8	179.5	-176.8	-117.6	0	0	0	112.1	V690 D693 L694 E697 L840 E841 K846 I847 K848	V690-Y844 HydrophobicContact CG1-CD2 4.08Å; V690-Y844 HydrophobicContact CG1-CE2 4.46Å; V690-Y844 HydrophobicContact CG2-CD2 4.44Å; D693-Y844 VanDerWaalsContact C-OH 3.28Å; D693-Y844 HydrophobicContact CB-CD2 4.4Å; D693-Y844 HydrophobicContact CB-CE2 3.67Å; D693-Y844 PolarHBondContact O-OH 3.06Å; L694-Y844 HydrophobicContact CD2-CE2 3.84Å; L694-Y844 HydrophobicContact CG-CE2 3.91Å; L694-Y844 PolarHBondContact N-OH 2.84Å; E697-Y844 WeakPolarHBondContact OE2-CE1 3.15Å; E697-Y844 VanDerWaalsContact OE2-CZ 3.27Å; E697-Y844 PolarHBondContact OE2-OH 3.35Å; L840-Y844 WeakPolarHBondContact O-CB 3.15Å; L840-Y844 PolarHBondContact O-N 2.97Å; E841-Y844 PolarHBondContact O-N 3.04Å; Y844-K846 PolarHBondContact O-N 3.1Å; Y844-I847 PolarHBondContact O-N 3.42Å; Y844-K848 HydrophobicContact CD1-CD 4.39Å; Y844-K848 HydrophobicContact CE1-CD 3.8Å; Y844-K848 HydrophobicContact CE1-CG 4.48Å; Y844-K848 VanDerWaalsContact CE1-NZ 3.29Å; Y844-K848 HydrophobicContact CE2-CD 4.47Å; Y844-K848 HydrophobicContact CE2-CG 4.5Å; Y844-K848 WeakPolarHBondContact O-CG 3.41Å; Y844-K848 PolarHBondContact O-N 3.37Å
845	N	97.2	Very high	94.5	Very high	77 Å²	77	53 Å²	53	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-36.5	178.2	-72.3	-39	0	0	0	112.4	E841 K848 Q849	E841-N845 WeakPolarHBondContact O-CB 3.4Å; E841-N845 PolarHBondContact O-N 2.87Å; E841-N845 PolarHBondContact O-ND2 2.88Å; E841-N845 VanDerWaalsContact O-ND2 3.08Å; N845-K848 PolarHBondContact O-N 2.92Å; N845-K848 WeakPolarHBondContact OD1-CE 3.32Å; N845-Q849 PolarHBondContact O-N 3.06Å
846	K	96.8	Very high	94.2	Very high	85 Å²	85	54.6 Å²	54.6	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-43.5	170.2	-78.2	170.7	168.3	173.2	0	112.2	V835 Q836 E842 I843 Y844 Q849 I850	V835-K846 HydrophobicContact CG1-CB 3.93Å; V835-K846 HydrophobicContact CG1-CD 4.17Å; Q836-K846 PolarHBondContact O-NZ 2.81Å; E842-K846 HydrophobicContact CG-CD 4.32Å; E842-K846 WeakPolarHBondContact O-CB 3.4Å; E842-K846 WeakPolarHBondContact O-CG 3.33Å; E842-K846 PolarHBondContact O-N 2.83Å; E842-K846 WeakPolarHBondContact OE1-CE 3.38Å; E842-K846 IonicContact OE1-NZ 2.66Å; E842-K846 PolarHBondContact OE1-NZ 2.99Å; I843-K846 PolarHBondContact O-N 3.39Å; Y844-K846 PolarHBondContact O-N 3.1Å; K846-Q849 PolarHBondContact O-N 3.3Å; K846-I850 WeakPolarHBondContact O-CB 3.48Å; K846-I850 WeakPolarHBondContact O-CD1 3.32Å; K846-I850 VanDerWaalsContact O-CG1 3.27Å; K846-I850 WeakPolarHBondContact O-CG1 3.41Å; K846-I850 PolarHBondContact O-N 2.79Å
847	I	97.8	Very high	94	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-44.4	176.3	-73.2	169.7	0	0	0	111	I682 V690 L694 I791 I793 V835 I843 Y844 Q849 I850 I851	I682-I847 HydrophobicContact CD1-CG2 3.84Å; I682-I847 HydrophobicContact CG2-CD1 4.4Å; V690-I847 HydrophobicContact CG1-CD1 3.85Å; V690-I847 HydrophobicContact CG1-CG2 4.04Å; V690-I847 HydrophobicContact CG2-CD1 4.35Å; L694-I847 HydrophobicContact CD1-CG2 4.3Å; I791-I847 HydrophobicContact CD1-CG2 4.12Å; I791-I847 HydrophobicContact CG2-CG1 4.16Å; I793-I847 HydrophobicContact CD1-CD1 3.82Å; I793-I847 HydrophobicContact CG1-CD1 3.93Å; V835-I847 HydrophobicContact CG1-CG1 4.47Å; V835-I847 HydrophobicContact CG2-CG1 4.16Å; I843-I847 HydrophobicContact CG2-CD1 3.75Å; I843-I847 WeakPolarHBondContact O-CB 3.15Å; I843-I847 VanDerWaalsContact O-CG1 3.25Å; I843-I847 WeakPolarHBondContact O-CG1 3.1Å; I843-I847 PolarHBondContact O-N 3.5Å; Y844-I847 PolarHBondContact O-N 3.42Å; I847-Q849 PolarHBondContact O-N 3.23Å; I847-I850 PolarHBondContact O-N 2.92Å; I847-I851 HydrophobicContact CG2-CD1 3.76Å; I847-I851 HydrophobicContact CG2-CG1 4.47Å; I847-I851 VanDerWaalsContact O-CG1 3.28Å; I847-I851 WeakPolarHBondContact O-CG1 3.5Å; I847-I851 PolarHBondContact O-N 2.78Å
848	K	97	Very high	94.1	Very high	45 Å²	45	62.8 Å²	62.8	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-45.9	175.2	-72	-163.1	-70.2	-171	0	111.8	L694 E697 F698 Y844 N845 I851 E852	L694-K848 HydrophobicContact CD2-CD 4.24Å; L694-K848 HydrophobicContact CD2-CG 3.74Å; E697-K848 IonicContact OE1-NZ 3.29Å; E697-K848 PolarHBondContact OE1-NZ 3.35Å; E697-K848 IonicContact OE2-NZ 3.7Å; E697-K848 PolarHBondContact OE2-NZ 2.68Å; F698-K848 HydrophobicContact CE2-CD 3.58Å; F698-K848 HydrophobicContact CZ-CD 4.13Å; Y844-K848 HydrophobicContact CD1-CD 4.39Å; Y844-K848 HydrophobicContact CE1-CD 3.8Å; Y844-K848 HydrophobicContact CE1-CG 4.48Å; Y844-K848 VanDerWaalsContact CE1-NZ 3.29Å; Y844-K848 HydrophobicContact CE2-CD 4.47Å; Y844-K848 HydrophobicContact CE2-CG 4.5Å; Y844-K848 WeakPolarHBondContact O-CG 3.41Å; Y844-K848 PolarHBondContact O-N 3.37Å; N845-K848 PolarHBondContact O-N 2.92Å; N845-K848 WeakPolarHBondContact OD1-CE 3.32Å; K848-I851 PolarHBondContact O-N 3Å; K848-E852 PolarHBondContact O-N 2.8Å
849	Q	95.6	Very high	94.4	Very high	107 Å²	107	57.7 Å²	57.7	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-48.2	177.1	-170.6	63	53.2	0	0	112.2	N845 K846 I847 I851 E852 D853	N845-Q849 PolarHBondContact O-N 3.06Å; K846-Q849 PolarHBondContact O-N 3.3Å; I847-Q849 PolarHBondContact O-N 3.23Å; Q849-I851 VanDerWaalsContact C-N 3.28Å; Q849-I851 PolarHBondContact O-N 3.21Å; Q849-E852 WeakPolarHBondContact O-CB 3.3Å; Q849-E852 PolarHBondContact O-N 2.91Å; Q849-E852 VanDerWaalsContact O-N 3.09Å; Q849-D853 PolarHBondContact NE2-OD1 2.86Å; Q849-D853 VanDerWaalsContact O-CG 3.24Å; Q849-D853 PolarHBondContact O-N 3.37Å
850	I	96	Very high	94.6	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.179	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-39.9	178.5	-70.9	160.3	0	0	0	111.3	I789 I791 A833 V835 K846 I847 Q854	I789-I850 HydrophobicContact CG2-CG2 4.47Å; I791-I850 HydrophobicContact CD1-CB 4.27Å; I791-I850 HydrophobicContact CD1-CG2 3.71Å; I791-I850 HydrophobicContact CG1-CG2 4.1Å; A833-I850 HydrophobicContact CB-CD1 3.86Å; A833-I850 HydrophobicContact CB-CG1 4.37Å; A833-I850 HydrophobicContact CB-CG2 3.83Å; V835-I850 HydrophobicContact CG2-CD1 3.38Å; K846-I850 WeakPolarHBondContact O-CB 3.48Å; K846-I850 WeakPolarHBondContact O-CD1 3.32Å; K846-I850 VanDerWaalsContact O-CG1 3.27Å; K846-I850 WeakPolarHBondContact O-CG1 3.41Å; K846-I850 PolarHBondContact O-N 2.79Å; I847-I850 PolarHBondContact O-N 2.92Å; I850-Q854 HydrophobicContact CG2-CG 4.43Å; I850-Q854 WeakPolarHBondContact O-CB 3.42Å; I850-Q854 WeakPolarHBondContact O-CG 3.49Å; I850-Q854 PolarHBondContact O-N 3.14Å; I850-Q854 VanDerWaalsContact O-N 3.12Å
851	I	96.9	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-45.7	175.6	-67.4	165.9	0	0	0	110.3	V680 L694 F702 I789 I791 I847 K848 Q849 Q854 S855	V680-I851 HydrophobicContact CG1-CD1 3.93Å; V680-I851 HydrophobicContact CG1-CG1 4.36Å; V680-I851 HydrophobicContact CG2-CD1 4.33Å; V680-I851 HydrophobicContact CG2-CG1 4.28Å; V680-I851 HydrophobicContact CG2-CG2 4.38Å; L694-I851 HydrophobicContact CD1-CD1 3.81Å; L694-I851 HydrophobicContact CD2-CD1 4.5Å; F702-I851 HydrophobicContact CE1-CD1 4.11Å; F702-I851 HydrophobicContact CE1-CG2 3.96Å; F702-I851 HydrophobicContact CZ-CD1 4.18Å; F702-I851 HydrophobicContact CZ-CG2 4Å; I789-I851 HydrophobicContact CD1-CG2 4.33Å; I791-I851 HydrophobicContact CD1-CD1 4.38Å; I791-I851 HydrophobicContact CD1-CG1 3.84Å; I847-I851 HydrophobicContact CG2-CD1 3.76Å; I847-I851 HydrophobicContact CG2-CG1 4.47Å; I847-I851 VanDerWaalsContact O-CG1 3.28Å; I847-I851 WeakPolarHBondContact O-CG1 3.5Å; I847-I851 PolarHBondContact O-N 2.78Å; K848-I851 PolarHBondContact O-N 3Å; Q849-I851 VanDerWaalsContact C-N 3.28Å; Q849-I851 PolarHBondContact O-N 3.21Å; I851-Q854 CarbonylContact O-C 3.55Å; I851-Q854 PolarHBondContact O-N 3.41Å; I851-S855 WeakPolarHBondContact O-CB 3.27Å; I851-S855 PolarHBondContact O-N 2.95Å; I851-S855 PolarHBondContact O-OG 3.11Å
852	E	94.6	Very high	94.6	Very high	113 Å²	113	52 Å²	52	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-57.9	-53.2	177.1	-164.9	65.2	-149.9	0	0	112	K701 K848 Q849 Q854 S855	K701-E852 IonicContact NZ-OE2 3.21Å; K701-E852 PolarHBondContact NZ-OE2 2.9Å; K848-E852 PolarHBondContact O-N 2.8Å; Q849-E852 WeakPolarHBondContact O-CB 3.3Å; Q849-E852 PolarHBondContact O-N 2.91Å; Q849-E852 VanDerWaalsContact O-N 3.09Å; E852-Q854 PolarHBondContact O-N 3.42Å; E852-Q854 VanDerWaalsContact O-N 3.14Å; E852-S855 VanDerWaalsContact O-CB 3.27Å; E852-S855 WeakPolarHBondContact O-CB 3.19Å; E852-S855 PolarHBondContact O-N 3.41Å; E852-S855 PolarHBondContact O-OG 2.93Å
853	D	92.5	Very high	94.4	Very high	78 Å²	78	49.9 Å²	49.9	42%	0.417	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-28.1	179.2	-61.5	-24.6	0	0	0	112.6	P569 Q849	P569-D853 HydrophobicContact CG-CB 4.44Å; Q849-D853 PolarHBondContact NE2-OD1 2.86Å; Q849-D853 VanDerWaalsContact O-CG 3.24Å; Q849-D853 PolarHBondContact O-N 3.37Å
854	Q	93.9	Very high	93.6	Very high	47 Å²	47	55.6 Å²	55.6	22%	0.22	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.3	179.3	-66.1	-70.2	-42.6	0	0	113.8	R678 I789 T832 I850 I851 E852 G856	R678-Q854 VanDerWaalsContact CD-O 3.23Å; R678-Q854 WeakPolarHBondContact CD-O 3.42Å; R678-Q854 PolarHBondContact NH1-O 3.26Å; I789-Q854 HydrophobicContact CD1-CB 3.75Å; I789-Q854 HydrophobicContact CG1-CB 3.87Å; I789-Q854 HydrophobicContact CG2-CB 4.16Å; I789-Q854 HydrophobicContact CG2-CG 4.38Å; T832-Q854 HydrophobicContact CG2-CG 3.95Å; I850-Q854 HydrophobicContact CG2-CG 4.43Å; I850-Q854 WeakPolarHBondContact O-CB 3.42Å; I850-Q854 WeakPolarHBondContact O-CG 3.49Å; I850-Q854 PolarHBondContact O-N 3.14Å; I850-Q854 VanDerWaalsContact O-N 3.12Å; I851-Q854 CarbonylContact O-C 3.55Å; I851-Q854 PolarHBondContact O-N 3.41Å; E852-Q854 PolarHBondContact O-N 3.42Å; E852-Q854 VanDerWaalsContact O-N 3.14Å; Q854-G856 VanDerWaalsContact C-N 3.34Å
855	S	92.6	Very high	92.6	Very high	36 Å²	36	59.6 Å²	59.6	25%	0.252	31%	0.306	S	S	.	.			trans	-79.4	-9.1	-177.9	-64.2	0	0	0	0	114.2	K701 H768 I851 E852	K701-S855 PolarHBondContact NZ-OG 2.88Å; K701-S855 VanDerWaalsContact NZ-OG 3.13Å; H768-S855 PolarHBondContact CE1-OG 3.42Å; H768-S855 PolarHBondContact NE2-OG 2.81Å; I851-S855 WeakPolarHBondContact O-CB 3.27Å; I851-S855 PolarHBondContact O-N 2.95Å; I851-S855 PolarHBondContact O-OG 3.11Å; E852-S855 VanDerWaalsContact O-CB 3.27Å; E852-S855 WeakPolarHBondContact O-CB 3.19Å; E852-S855 PolarHBondContact O-N 3.41Å; E852-S855 PolarHBondContact O-OG 2.93Å
856	G	90.4	Very high	91.5	Very high	38 Å²	38	64.7 Å²	64.7	39%	0.392	33%	0.325	S	S	.	.	S	Bend	trans	-69.1	154.5	-175	0	0	0	0	0	115	Q854 Y858	Q854-G856 VanDerWaalsContact C-N 3.34Å; G856-Y858 PolarHBondContact O-N 2.88Å
857	H	91	Very high	90.2	Very high	122 Å²	122	62.8 Å²	62.8	57%	0.565	32%	0.319	S	S	*	.	S	Bend	trans	-62	-27.1	176.9	-60.3	102.9	0	0	0	113.5	E673 I674	E673-H857 CarbonylContact C-O 3.58Å; E673-H857 WeakPolarHBondContact CA-O 3.41Å; I674-H857 WeakPolarHBondContact CG1-O 3.38Å; I674-H857 PolarHBondContact N-O 3.15Å; I674-H857 PolarHBondContact O-CD2 3.3Å
858	Y	93.1	Very high	89.9	Confident	127 Å²	127	65.9 Å²	65.9	50%	0.498	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.8	174.1	-65.6	-67.3	0	0	0	111	E673 G856	E673-Y858 HydrophobicContact CB-CD1 4Å; E673-Y858 HydrophobicContact CB-CE1 3.7Å; E673-Y858 VanDerWaalsContact CD-OH 3.27Å; E673-Y858 HydrophobicContact CG-CD1 4.12Å; E673-Y858 HydrophobicContact CG-CE1 3.64Å; E673-Y858 WeakPolarHBondContact OE2-CE1 3.48Å; E673-Y858 PolarHBondContact OE2-OH 2.66Å; G856-Y858 PolarHBondContact O-N 2.88Å
859	I	94.5	Very high	89.5	Confident	3 Å²	3	67 Å²	67	2%	0.015	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	158.6	-179.1	61.2	162.2	0	0	0	111.8	R671 Q672 I674 Y787 V861	R671-I859 CarbonylContact C-O 3.44Å; R671-I859 WeakPolarHBondContact CA-O 3.24Å; Q672-I859 HydrophobicContact CB-CG1 4.24Å; Q672-I859 PolarHBondContact N-O 2.93Å; Q672-I859 WeakPolarHBondContact O-CG1 3.35Å; Q672-I859 PolarHBondContact O-N 3.31Å; I674-I859 HydrophobicContact CD1-CD1 4.16Å; I674-I859 HydrophobicContact CD1-CG1 4.44Å; I674-I859 HydrophobicContact CD1-CG2 3.66Å; I674-I859 HydrophobicContact CG1-CD1 4.39Å; I674-I859 HydrophobicContact CG1-CG1 4.31Å; I674-I859 HydrophobicContact CG1-CG2 3.96Å; I674-I859 HydrophobicContact CG2-CD1 3.68Å; I674-I859 HydrophobicContact CG2-CG1 4.04Å; Y787-I859 HydrophobicContact CD2-CD1 3.91Å; Y787-I859 HydrophobicContact CG-CD1 4Å; I859-V861 HydrophobicContact CD1-CG1 3.46Å; I859-V861 VanDerWaalsContact CD1-CG1 3.46Å; I859-V861 HydrophobicContact CG1-CG1 3.94Å
860	W	93.9	Very high	89.1	Confident	44 Å²	44	64.8 Å²	64.8	17%	0.167	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.8	173.2	-66.2	97.1	0	0	0	110.3	Y523 R525 I550 V567 V669 T670 R671	Y523-W860 AromaticContact CD1-CH2 3.48Å; Y523-W860 HydrophobicContact CD1-CH2 3.48Å; Y523-W860 VanDerWaalsContact CD1-CH2 3.48Å; Y523-W860 HydrophobicContact CD1-CZ2 4.42Å; Y523-W860 AromaticContact CD1-CZ3 3.8Å; Y523-W860 HydrophobicContact CD1-CZ3 3.8Å; Y523-W860 HydrophobicContact CD2-CH2 4.14Å; Y523-W860 AromaticContact CD2-CZ3 3.95Å; Y523-W860 HydrophobicContact CD2-CZ3 3.95Å; Y523-W860 AromaticContact CE1-CH2 3.77Å; Y523-W860 HydrophobicContact CE1-CH2 3.77Å; Y523-W860 HydrophobicContact CE1-CZ3 4.45Å; Y523-W860 HydrophobicContact CE2-CH2 4.39Å; Y523-W860 AromaticContact CG-CH2 3.69Å; Y523-W860 HydrophobicContact CG-CH2 3.69Å; Y523-W860 AromaticContact CG-CZ3 3.51Å; Y523-W860 HydrophobicContact CG-CZ3 3.51Å; R525-W860 PolarHBondContact NH2-O 3.4Å; I550-W860 HydrophobicContact CD1-CB 3.99Å; I550-W860 HydrophobicContact CD1-CG 4.08Å; I550-W860 HydrophobicContact CG1-CB 4.34Å; I550-W860 HydrophobicContact CG1-CD2 4.37Å; I550-W860 HydrophobicContact CG1-CG 3.9Å; I550-W860 HydrophobicContact CG2-CD2 3.88Å; I550-W860 HydrophobicContact CG2-CE3 4.16Å; I550-W860 HydrophobicContact CG2-CG 4.3Å; I550-W860 HydrophobicContact CG2-CH2 4.44Å; I550-W860 HydrophobicContact CG2-CZ2 4.2Å; I550-W860 HydrophobicContact CG2-CZ3 4.43Å; V567-W860 HydrophobicContact CG1-CZ2 3.92Å; V669-W860 HydrophobicContact CB-CB 4.43Å; V669-W860 HydrophobicContact CB-CE3 4.26Å; V669-W860 HydrophobicContact CG2-CB 4.47Å; V669-W860 HydrophobicContact CG2-CD2 4.41Å; V669-W860 HydrophobicContact CG2-CE3 3.7Å; V669-W860 HydrophobicContact CG2-CZ3 4.36Å; T670-W860 WeakPolarHBondContact O-CA 3.16Å; R671-W860 HydrophobicContact CB-CD2 4.38Å; R671-W860 HydrophobicContact CB-CE3 4.03Å; R671-W860 HydrophobicContact CB-CH2 3.94Å; R671-W860 HydrophobicContact CB-CZ2 4.26Å; R671-W860 HydrophobicContact CB-CZ3 3.8Å; R671-W860 HydrophobicContact CG-CD2 4.42Å; R671-W860 HydrophobicContact CG-CH2 4.37Å; R671-W860 HydrophobicContact CG-CZ2 4.19Å
861	V	93.9	Very high	88.7	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.036	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	152	-177.9	-61.5	0	0	0	0	111	V669 T670 Q672 Y787 I859 S863	V669-V861 CarbonylContact C-O 3.49Å; V669-V861 WeakPolarHBondContact CA-O 3.32Å; V669-V861 VanDerWaalsContact CB-O 3.31Å; V669-V861 WeakPolarHBondContact CB-O 3.43Å; T670-V861 PolarHBondContact N-O 3Å; T670-V861 PolarHBondContact O-N 3.12Å; Q672-V861 HydrophobicContact CB-CG1 4.23Å; Q672-V861 HydrophobicContact CB-CG2 4.01Å; Y787-V861 HydrophobicContact CD1-CB 4.19Å; Y787-V861 HydrophobicContact CD1-CG1 3.64Å; Y787-V861 HydrophobicContact CD2-CG1 3.81Å; Y787-V861 HydrophobicContact CE1-CB 3.79Å; Y787-V861 HydrophobicContact CE1-CG1 3.63Å; Y787-V861 HydrophobicContact CE2-CG1 3.81Å; Y787-V861 HydrophobicContact CG-CG1 3.72Å; I859-V861 HydrophobicContact CD1-CG1 3.46Å; I859-V861 VanDerWaalsContact CD1-CG1 3.46Å; I859-V861 HydrophobicContact CG1-CG1 3.94Å; V861-S863 PolarHBondContact O-N 3.4Å
862	P	91.9	Very high	88.2	Confident	43 Å²	43	70.7 Å²	70.7	28%	0.279	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	132.3	176.1	-23.5	35	0	0	0	111.8	E667	E667-P862 HydrophobicContact CG-CB 4.44Å; E667-P862 WeakPolarHBondContact OE1-CB 3.29Å; E667-P862 VanDerWaalsContact OE1-CG 3.23Å; E667-P862 WeakPolarHBondContact OE1-CG 3.29Å
863	S	89.5	Confident	87.8	Confident	17 Å²	17	67.9 Å²	67.9	12%	0.119	35%	0.352	C	S	.	.			trans	-84.1	143.7	176.5	-172.7	0	0	0	0	110.9	P668 V861 E865	P668-S863 WeakPolarHBondContact O-CB 3.3Å; P668-S863 PolarHBondContact O-N 3.1Å; V861-S863 PolarHBondContact O-N 3.4Å; S863-E865 PolarHBondContact O-N 2.71Å; S863-E865 WeakPolarHBondContact OG-CB 3.46Å; S863-E865 PolarHBondContact OG-N 3.09Å
864	P	80.1	Confident	87.5	Confident	124 Å²	124	67.1 Å²	67.1	81%	0.805	35%	0.348	S	S	*	.	S	Bend	trans	-73.3	-10.9	168.2	32.2	-36.2	0	0	0	113.2
865	E	76.5	Confident	87	Confident	104 Å²	104	68.7 Å²	68.7	49%	0.486	36%	0.358	S	S	.	.	S	Bend	trans	-66.2	157	172.1	-61.4	-172.9	138.1	0	0	111.2	P668 S863	P668-E865 WeakPolarHBondContact CG-O 3.27Å; S863-E865 PolarHBondContact O-N 2.71Å; S863-E865 WeakPolarHBondContact OG-CB 3.46Å; S863-E865 PolarHBondContact OG-N 3.09Å
866	K	73.6	Confident	86.5	Confident	185 Å²	185	71.4 Å²	71.4	80%	0.804	37%	0.366	S	S	*	.			trans	-116.6	134.8	-176.8	-67.1	-172.6	177.6	-177	0	112.1
867	L	69.7	Low	86.2	Confident	44 Å²	44	74.5 Å²	74.5	23%	0.23	36%	0.364	C	S	.	.			trans	-84.9	0	166.3	-59.9	179.2	0	0	0	112.1	L514 L522 V524 K582 Y666 P668	L514-L867 HydrophobicContact CD2-CD2 3.65Å; L522-L867 HydrophobicContact CD1-CD2 3.85Å; L522-L867 HydrophobicContact CD2-CD2 4.04Å; L522-L867 HydrophobicContact CG-CD2 4.4Å; V524-L867 HydrophobicContact CB-CD1 4.41Å; V524-L867 HydrophobicContact CG1-CD1 3.69Å; V524-L867 HydrophobicContact CG1-CD2 3.85Å; V524-L867 HydrophobicContact CG1-CG 4.38Å; K582-L867 HydrophobicContact CD-CB 3.58Å; K582-L867 HydrophobicContact CD-CD1 4.43Å; K582-L867 PolarHBondContact NZ-O 3.47Å; Y666-L867 WeakPolarHBondContact O-CD1 3.36Å; P668-L867 HydrophobicContact CB-CD1 4.28Å; P668-L867 HydrophobicContact CB-CD2 4.12Å; P668-L867 HydrophobicContact CB-CG 3.87Å; P668-L867 HydrophobicContact CG-CD1 4.42Å; P668-L867 HydrophobicContact CG-CG 3.97Å

Retrieved 867 of 867 residues in 356.4 ms (Link to these results)

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