A0A087XPJ8_POEFO Loading...

Metalloendopeptidase

AlphaFold DB , UniProt , Accession A0A087XPJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,015 aa.

						>A0A087XPJ8_POEFO|A0A087XPJ8
MDRVPLALAAKMRWITLMLAGLTFWGKLSISNCFDYEEPGFDYYEEEKVESIDYKDPCKAAVFWGDIALDEEDLQMFHIDRTIDLKQHTHVRSHSRQGHTSGGLGEHEDVKRGSLYLLLERIRRFGFDYIPKNESKGAASSKSQTWKGGSPSEAAKSRVPRAATSRAERIWPGGVIPYVIGGNFTGSQRAMFKQAMRHWEKQTCVTFIEKTDEESYIVFTYRPCGCCSYVGRRGNGPQAISIGKNCDKFGIVVHELGHVIGFWHEHTRPDRDDHVTIIRDNIQPGQEYNFLKMEPGEVNSLGEAYDFDSIMHYARNTFSRGMFLDTILPSRDENGVRPAIGQRTRLSKGDIAQARKLYRCPACGETLHDDRLMLSSFTALSLMLTSTVTKIVLNFTTMDLYKSSLCWYDYIEVRDGYWRKAPLLGRFCGDKIPDVLISADSRMWIEFRSSSNWVGKGFAAVYEAICGGEITKDSGQIQSPNYPDDYRPSKECVWRITVSEGYNVGLSFQAFEIERHDSCAYDYLEVRDGPLETSPLIGRFCGYDKPEDVRSTSHTLWMKFVSDGTVNKAGFAANFFKEEDECAKPDNGGCEQRCVNTLGSFKCACDPGYELAPDKKSCEGNNENIQTASINSCIITSGKTFFQDYICMFKVLKVTTYLVCFCRLFFYGRLNVICEVGFIKIRSRVQRFPNISVKYLEKNMYKKCSFTGRLTLVRFDSSHTSTKPHVSNFIVDKDECSKDNGGCQHECINTVGSYVCQCRHGFVLHENKHDCKEAECEHKIHSPSGTLSSPNWPDKYPSRKECTWDITATPGHRVKIAFSEFEIEQHQECAYDHLEAFDGDSDAAAILGRLCGNKIPEPLVSTGNKMYLRFISDASVQRKGFQASHSTECGGRLKADASQKNLYSHSQFGDNNYPGHTDCEWLLTTEQGYGIELSFVTFEVEEEADCGYDYIELYNGYDANAHRLGRFCGSGPREGIYSPGDAMLIRFHSDDTISKKGFHVRYTSSKFQENLHARK
					

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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	33.8	Very low	31.2	Very low	226 Å²	226	145.9 Å²	145.9	100%	1.113	81%	0.813	S	S	*	*				0	75.1	0	-67.2	172.9	179.6	0	0	107
2	D	32.5	Very low	31	Very low	132 Å²	132	146.4 Å²	146.4	71%	0.706	81%	0.808	S	S	*	*				76.8	137.3	56.8	-63.9	-66.6	0	0	0	112.2
3	R	28.8	Very low	31	Very low	221 Å²	221	148.8 Å²	148.8	83%	0.834	80%	0.797	S	S	*	*			cis	-176.3	165.9	-19.5	-125.4	179.8	-177.9	-176.4	-0.6	106.2
4	V	30.4	Very low	30.7	Very low	105 Å²	105	152.6 Å²	152.6	64%	0.636	80%	0.795	S	S	*	*			trans	67.8	118.2	168.7	-177.8	0	0	0	0	116	L6	V4-L6 HydrophobicContact CG1-CB 4.19Å; V4-L6 HydrophobicContact CG1-CD1 3.95Å
5	P	39.2	Very low	30.7	Very low	130 Å²	130	150.6 Å²	150.6	84%	0.844	78%	0.784	S	S	*	*				-115.9	122.5	121.3	32.6	-31.6	0	0	0	111.3
6	L	32.7	Very low	30.6	Very low	142 Å²	142	148.1 Å²	148.1	74%	0.743	78%	0.777	S	S	*	*			trans	-136.8	138	165.9	-87.6	92.5	0	0	0	107.7	V4	V4-L6 HydrophobicContact CG1-CB 4.19Å; V4-L6 HydrophobicContact CG1-CD1 3.95Å
7	A	33.4	Very low	30.5	Very low	87 Å²	87	147.9 Å²	147.9	72%	0.719	78%	0.776	S	S	*	*			cis	91.7	118	28.2	0	0	0	0	0	115
8	L	29.1	Very low	30.4	Very low	176 Å²	176	147.9 Å²	147.9	92%	0.921	77%	0.774	S	S	*	*			trans	-148.4	136.7	168.6	-83.9	165.2	0	0	0	106.4
9	A	27	Very low	30.2	Very low	95 Å²	95	148.5 Å²	148.5	79%	0.785	78%	0.776	S	S	*	*			cis	-151.7	164.6	-10.4	0	0	0	0	0	109.8
10	A	29.6	Very low	30	Very low	96 Å²	96	146.3 Å²	146.3	79%	0.793	78%	0.781	S	S	*	*			trans	-142.5	156.7	-178.3	0	0	0	0	0	113.3
11	K	27.1	Very low	29.8	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	78%	0.775	S	S	*	*			trans	-168.2	128.7	159.6	-99.1	149.3	-176.3	-179.5	0	106.7
12	M	28.6	Very low	29.5	Very low	152 Å²	152	139.5 Å²	139.5	75%	0.749	76%	0.763	S	S	*	*				62.8	132.3	58.8	-66.1	-149.7	179.6	0	0	113.1
13	R	30.8	Very low	29.4	Very low	177 Å²	177	137.9 Å²	137.9	67%	0.668	76%	0.758	S	S	*	*			cis	-170.8	-179.7	1.3	-110.6	-179.2	-175.8	-164	5.1	108.6
14	W	27	Very low	29.3	Very low	202 Å²	202	135 Å²	135	77%	0.765	75%	0.752	S	S	*	*			trans	81.8	157.2	159.1	-55.4	95.8	0	0	0	118.7
15	I	30.1	Very low	29.1	Very low	123 Å²	123	140.1 Å²	140.1	63%	0.631	76%	0.76	S	S	*	*				-168.1	140	-52.1	-114.7	164.4	0	0	0	112.2
16	T	30.2	Very low	28.5	Very low	110 Å²	110	136.8 Å²	136.8	68%	0.675	75%	0.749	S	S	*	*			trans	53	128.9	155.9	62	0	0	0	0	126
17	L	28.6	Very low	28.1	Very low	145 Å²	145	139 Å²	139	76%	0.759	75%	0.753	S	S	*	*				81.7	134.4	123.4	-72.8	169.5	0	0	0	125.2
18	M	27.3	Very low	27.6	Very low	149 Å²	149	141.9 Å²	141.9	73%	0.734	76%	0.755	S	S	*	*			trans	75.8	111.3	143.6	-68.9	-57.2	-170.5	0	0	124.3
19	L	28.1	Very low	27.2	Very low	158 Å²	158	137.9 Å²	137.9	83%	0.827	74%	0.742	S	S	*	*				52.7	147.6	123.1	-76.1	177.3	0	0	0	124.1
20	A	26.5	Very low	27.1	Very low	105 Å²	105	140.6 Å²	140.6	87%	0.868	74%	0.742	S	S	*	*			trans	69.2	145.3	171	0	0	0	0	0	116.7
21	G	24.7	Very low	26.9	Very low	63 Å²	63	140.3 Å²	140.3	65%	0.649	73%	0.734	S	S	*	*			cis	148.8	149.9	-9.1	0	0	0	0	0	112.9
22	L	28.4	Very low	26.7	Very low	167 Å²	167	138.2 Å²	138.2	87%	0.874	73%	0.732	S	S	*	*			trans	70	151.7	173.5	-50.2	171.7	0	0	0	114.1
23	T	29.3	Very low	26.4	Very low	97 Å²	97	135.2 Å²	135.2	60%	0.595	73%	0.725	S	S	*	*			cis	-164	149	-5.5	9.6	0	0	0	0	112.3
24	F	27.3	Very low	26	Very low	161 Å²	161	135.1 Å²	135.1	71%	0.706	73%	0.73	S	S	*	*			trans	62.5	160.1	143.4	-70	175.5	0	0	0	120
25	W	26.9	Very low	25.8	Very low	213 Å²	213	131.5 Å²	131.5	81%	0.807	73%	0.725	S	S	*	*			cis	-147.8	161.6	-5.6	-107	-26.7	0	0	0	107.6
26	G	25.3	Very low	25.6	Very low	60 Å²	60	135.2 Å²	135.2	62%	0.619	73%	0.733	S	S	*	*			cis	-150.2	167.8	0.2	0	0	0	0	0	109.8
27	K	25.2	Very low	25.2	Very low	189 Å²	189	138.1 Å²	138.1	82%	0.822	74%	0.739	S	S	*	*				63.3	130.4	62.2	-82.4	-165.6	164.8	-167.4	0	113.1
28	L	22.9	Very low	25.2	Very low	146 Å²	146	138 Å²	138	76%	0.764	73%	0.734	S	S	*	*			cis	-137	146.3	16.1	-121.5	64	0	0	0	109.9
29	S	21.2	Very low	25.5	Very low	92 Å²	92	137 Å²	137	64%	0.643	74%	0.739	S	S	*	*				68.7	124.5	88.1	-155.7	0	0	0	0	115.2
30	I	24.1	Very low	25.5	Very low	153 Å²	153	132.8 Å²	132.8	79%	0.785	73%	0.733	S	S	*	*				61.2	123.9	57	-59.5	179.3	0	0	0	109.9
31	S	24.3	Very low	25.6	Very low	89 Å²	89	135.2 Å²	135.2	62%	0.622	73%	0.725	S	S	*	*			cis	-166.3	167.4	20	40.3	0	0	0	0	115
32	N	24.3	Very low	25.6	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	73%	0.733	S	S	*	*			trans	74.8	158.8	151.5	-66.1	3.1	0	0	0	118.9
33	C	22.1	Very low	25.9	Very low	90 Å²	90	137.9 Å²	137.9	61%	0.608	72%	0.716	S	S	*	*			cis	-158	170.8	16.4	-149.5	0	0	0	0	115.6
34	F	22.4	Very low	25.9	Very low	174 Å²	174	144.3 Å²	144.3	76%	0.763	73%	0.731	S	S	*	*			trans	83.9	97.2	157.7	-69.4	-66.4	0	0	0	123.1
35	D	22.8	Very low	26	Very low	126 Å²	126	143.4 Å²	143.4	67%	0.674	73%	0.729	S	S	*	*				59.3	136.5	111.6	-78	-34.6	0	0	0	126.1
36	Y	25.4	Very low	26.1	Very low	202 Å²	202	142.2 Å²	142.2	79%	0.792	73%	0.732	S	S	*	*			trans	66.6	146.1	156.5	-84.3	-117.1	0	0	0	118.1
37	E	23.1	Very low	26.3	Very low	171 Å²	171	147.2 Å²	147.2	80%	0.799	74%	0.74	S	S	*	*			cis	-147	161.2	7.2	-164	162.1	-129.2	0	0	110.3
38	E	27.6	Very low	26.5	Very low	141 Å²	141	147.1 Å²	147.1	66%	0.659	74%	0.739	S	S	*	*			trans	-116.3	160.8	176.9	-151.6	-153.5	-100.3	0	0	110.7	G40	E38-G40 PolarHBondContact OE2-N 3.44Å
39	P	34.6	Very low	27	Very low	130 Å²	130	146.2 Å²	146.2	84%	0.844	74%	0.74	S	S	*	*				-151.7	151.3	99.5	38.1	-21.6	0	0	0	116.7
40	G	27.6	Very low	27.6	Very low	68 Å²	68	150.6 Å²	150.6	70%	0.701	75%	0.75	S	S	*	*			trans	130.9	66	138.9	0	0	0	0	0	117.5	E38	E38-G40 PolarHBondContact OE2-N 3.44Å
41	F	29.1	Very low	28.3	Very low	157 Å²	157	148 Å²	148	69%	0.689	75%	0.745	S	S	*	*			trans	-75.7	142.8	164.2	-119.9	-107.5	0	0	0	112	Y43	F41-Y43 HydrophobicContact CD1-CD2 4.02Å; F41-Y43 HydrophobicContact CD1-CG 4.13Å; F41-Y43 HydrophobicContact CE1-CD1 4.43Å; F41-Y43 AromaticContact CE1-CD2 3.46Å; F41-Y43 HydrophobicContact CE1-CD2 3.46Å; F41-Y43 VanDerWaalsContact CE1-CD2 3.46Å; F41-Y43 AromaticContact CE1-CE2 3.9Å; F41-Y43 HydrophobicContact CE1-CE2 3.9Å; F41-Y43 AromaticContact CE1-CG 3.75Å; F41-Y43 HydrophobicContact CE1-CG 3.75Å; F41-Y43 HydrophobicContact CZ-CD2 4.24Å; F41-Y43 HydrophobicContact CZ-CE2 4.29Å
42	D	24.5	Very low	29.4	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	74%	0.743	S	S	*	*			trans	-148.1	137	149.1	-153.5	-6.3	0	0	0	108.3
43	Y	33	Very low	31	Very low	133 Å²	133	148.7 Å²	148.7	52%	0.522	74%	0.741	S	S	.	*			trans	-161.1	128.6	-156.4	-148.8	-100.8	0	0	0	113	F41 E45	F41-Y43 HydrophobicContact CD1-CD2 4.02Å; F41-Y43 HydrophobicContact CD1-CG 4.13Å; F41-Y43 HydrophobicContact CE1-CD1 4.43Å; F41-Y43 AromaticContact CE1-CD2 3.46Å; F41-Y43 HydrophobicContact CE1-CD2 3.46Å; F41-Y43 VanDerWaalsContact CE1-CD2 3.46Å; F41-Y43 AromaticContact CE1-CE2 3.9Å; F41-Y43 HydrophobicContact CE1-CE2 3.9Å; F41-Y43 AromaticContact CE1-CG 3.75Å; F41-Y43 HydrophobicContact CE1-CG 3.75Å; F41-Y43 HydrophobicContact CZ-CD2 4.24Å; F41-Y43 HydrophobicContact CZ-CE2 4.29Å; Y43-E45 HydrophobicContact CD1-CB 4.44Å; Y43-E45 HydrophobicContact CE1-CB 3.99Å; Y43-E45 HydrophobicContact CE1-CG 3.7Å
44	Y	30.4	Very low	33.1	Very low	232 Å²	232	146.9 Å²	146.9	91%	0.91	72%	0.722	S	S	*	*			trans	-139.2	114.2	159.2	-82.2	-81.3	0	0	0	108.2
45	E	29.4	Very low	35.4	Very low	142 Å²	142	141.8 Å²	141.8	66%	0.664	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-94.6	129.6	174.6	-114.8	-176.3	158.3	0	0	108.9	Y43	Y43-E45 HydrophobicContact CD1-CB 4.44Å; Y43-E45 HydrophobicContact CE1-CB 3.99Å; Y43-E45 HydrophobicContact CE1-CG 3.7Å
46	E	29.1	Very low	37.8	Very low	188 Å²	188	136.3 Å²	136.3	88%	0.879	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-76.9	139.9	168.2	-68.2	-176.1	125.5	0	0	110	K48	E46-K48 PolarHBondContact O-N 3.35Å
47	E	29.7	Very low	40	Very low	165 Å²	165	126.7 Å²	126.7	77%	0.771	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-63.5	128.2	179.2	-69.4	-165.6	127.6	0	0	112	V49	E47-V49 PolarHBondContact O-N 3.23Å; E47-V49 VanDerWaalsContact O-N 3.08Å
48	K	29.2	Very low	42.3	Very low	187 Å²	187	120.2 Å²	120.2	81%	0.813	61%	0.605	S	S	*	*			trans	-69.3	105.3	173.3	-79.8	174.6	178	163.1	0	111.1	E46	E46-K48 PolarHBondContact O-N 3.35Å
49	V	33.3	Very low	44.3	Very low	128 Å²	128	120.6 Å²	120.6	78%	0.776	61%	0.605	S	S	*	*			trans	-52	135.8	138.6	179.5	0	0	0	0	107.5	E47 S51	E47-V49 PolarHBondContact O-N 3.23Å; E47-V49 VanDerWaalsContact O-N 3.08Å; V49-S51 PolarHBondContact O-N 2.7Å
50	E	33.7	Very low	45.9	Very low	183 Å²	183	115.2 Å²	115.2	86%	0.855	57%	0.572	S	S	*	*			trans	-59.9	102.9	174	-74.6	-165	134.3	0	0	109.8	I52	E50-I52 PolarHBondContact O-N 3.47Å
51	S	37.8	Very low	47.4	Very low	99 Å²	99	114.3 Å²	114.3	69%	0.692	56%	0.557	S	S	*	*			trans	-73	97.2	-178.1	58.3	0	0	0	0	109.4	V49 D53	V49-S51 PolarHBondContact O-N 2.7Å; S51-D53 PolarHBondContact O-N 3.14Å
52	I	47.6	Very low	49	Very low	113 Å²	113	109.6 Å²	109.6	58%	0.579	54%	0.541	S	S	*	.			trans	-55.2	107.2	163.3	-60.8	175.3	0	0	0	106.9	E50 Y54 P237	E50-I52 PolarHBondContact O-N 3.47Å; I52-Y54 VanDerWaalsContact C-N 3.3Å; I52-Y54 WeakPolarHBondContact O-CD1 3.43Å; I52-Y54 PolarHBondContact O-N 3.19Å; I52-P237 HydrophobicContact CG2-CG 3.79Å
53	D	58.2	Low	50.4	Low	141 Å²	141	105.3 Å²	105.3	75%	0.754	52%	0.516	S	S	*	.			trans	-80.8	79.2	-174.8	-164.1	32.7	0	0	0	110	S51	S51-D53 PolarHBondContact O-N 3.14Å
54	Y	66.7	Low	51.4	Low	52 Å²	52	100.1 Å²	100.1	20%	0.204	50%	0.495	C	S	.	.			trans	-76.9	148.3	171.9	47	-97.1	0	0	0	111.2	I52 D56 T220 R222 P237 A239	I52-Y54 VanDerWaalsContact C-N 3.3Å; I52-Y54 WeakPolarHBondContact O-CD1 3.43Å; I52-Y54 PolarHBondContact O-N 3.19Å; Y54-D56 HydrophobicContact CD2-CB 4.03Å; Y54-D56 HydrophobicContact CE2-CB 4.08Å; Y54-D56 PolarHBondContact O-N 3.3Å; Y54-T220 HydrophobicContact CE2-CG2 4.2Å; Y54-R222 VanDerWaalsContact OH-CZ 3.24Å; Y54-R222 PolarHBondContact OH-NH1 3.02Å; Y54-R222 VanDerWaalsContact OH-NH1 3.15Å; Y54-R222 PolarHBondContact OH-NH2 3.02Å; Y54-P237 WeakPolarHBondContact CA-O 3.41Å; Y54-P237 WeakPolarHBondContact CB-O 3.48Å; Y54-A239 HydrophobicContact CD2-CB 3.51Å; Y54-A239 HydrophobicContact CE2-CB 3.8Å; Y54-A239 HydrophobicContact CG-CB 4.34Å
55	K	70.2	Confident	53.1	Low	68 Å²	68	89.6 Å²	89.6	30%	0.296	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-60.4	108.3	165.4	-75.9	-165.2	171.8	-169	0	107.9	D70 E72 Y229 R233 P237 A239	K55-D70 IonicContact NZ-OD2 3.37Å; K55-D70 PolarHBondContact NZ-OD2 2.69Å; K55-E72 IonicContact NZ-OE2 2.67Å; K55-E72 PolarHBondContact NZ-OE2 2.8Å; K55-Y229 HydrophobicContact CB-CE2 4.01Å; K55-Y229 WeakPolarHBondContact O-CE2 3.37Å; K55-R233 HydrophobicContact CD-CB 4.2Å; K55-R233 HydrophobicContact CD-CG 4.45Å; K55-P237 PolarHBondContact N-O 3.47Å; K55-P237 VanDerWaalsContact N-O 3.1Å; K55-A239 PolarHBondContact O-N 3.36Å
56	D	73.3	Confident	54.3	Low	10 Å²	10	84.3 Å²	84.3	5%	0.053	43%	0.433	C	S	.	.			trans	-96.3	112.8	-173.3	-177	-8.9	0	0	0	109.5	Y54 C58 K59 R222 Y229	Y54-D56 HydrophobicContact CD2-CB 4.03Å; Y54-D56 HydrophobicContact CE2-CB 4.08Å; Y54-D56 PolarHBondContact O-N 3.3Å; D56-C58 PolarHBondContact O-N 3.21Å; D56-C58 WeakPolarHBondContact OD1-CB 3.3Å; D56-C58 PolarHBondContact OD1-N 3.26Å; D56-C58 VanDerWaalsContact OD1-N 3.07Å; D56-K59 HydrophobicContact CB-CB 4.3Å; D56-K59 HydrophobicContact CB-CD 4.03Å; D56-K59 HydrophobicContact CB-CG 4.05Å; D56-K59 PolarHBondContact O-N 2.81Å; D56-K59 WeakPolarHBondContact OD2-CE 3.36Å; D56-R222 IonicContact OD1-NE 2.9Å; D56-R222 IonicContact OD2-CZ 3.75Å; D56-R222 IonicContact OD2-NE 3.27Å; D56-R222 PolarHBondContact OD2-NE 3.44Å; D56-R222 IonicContact OD2-NH2 3.53Å; D56-R222 PolarHBondContact OD2-NH2 3.37Å; D56-Y229 PolarHBondContact O-OH 3.41Å
57	P	72.9	Confident	56.2	Low	0 Å²	0	75.4 Å²	75.4	0%	0	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-64	-24.2	-176.3	29	-36	0	0	0	111.9	K59 A60 F63 A68 C227 Y229 A239	P57-K59 PolarHBondContact O-N 2.74Å; P57-A60 VanDerWaalsContact O-CB 3.31Å; P57-A60 WeakPolarHBondContact O-CB 3.27Å; P57-A60 PolarHBondContact O-N 2.82Å; P57-F63 VanDerWaalsContact O-CE1 3.25Å; P57-F63 WeakPolarHBondContact O-CE1 3.08Å; P57-F63 WeakPolarHBondContact O-CZ 3.24Å; P57-A68 HydrophobicContact CB-CB 3.49Å; P57-A68 VanDerWaalsContact CB-CB 3.49Å; P57-C227 HydrophobicContact CB-CB 4.44Å; P57-Y229 HydrophobicContact CB-CD2 4.34Å; P57-Y229 HydrophobicContact CB-CE2 3.91Å; P57-Y229 HydrophobicContact CG-CE2 4.47Å; P57-A239 HydrophobicContact CG-CB 4.48Å
58	C	70.9	Confident	58.2	Low	35 Å²	35	67.6 Å²	67.6	24%	0.236	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-72.7	-7.8	173.4	-65.2	0	0	0	0	114.2	D56 R222 C224	D56-C58 PolarHBondContact O-N 3.21Å; D56-C58 WeakPolarHBondContact OD1-CB 3.3Å; D56-C58 PolarHBondContact OD1-N 3.26Å; D56-C58 VanDerWaalsContact OD1-N 3.07Å; C58-R222 WeakPolarHBondContact SG-CB 3.2Å; C58-C224 WeakPolarHBondContact CA-SG 3.4Å; C58-C224 HydrophobicContact CB-CB 3.72Å; C58-C224 WeakPolarHBondContact CB-SG 3.41Å; C58-C224 WeakPolarHBondContact SG-CB 3.43Å; C58-C224 CovalentContact SG-SG 2.03Å; C58-C224 PolarHBondContact SG-SG 2.93Å
59	K	70.1	Confident	60.2	Low	149 Å²	149	58.7 Å²	58.7	65%	0.648	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-109.4	18.2	173.1	-57.3	-179.9	-170.1	169.4	0	112.2	D56 P57	D56-K59 HydrophobicContact CB-CB 4.3Å; D56-K59 HydrophobicContact CB-CD 4.03Å; D56-K59 HydrophobicContact CB-CG 4.05Å; D56-K59 PolarHBondContact O-N 2.81Å; D56-K59 WeakPolarHBondContact OD2-CE 3.36Å; P57-K59 PolarHBondContact O-N 2.74Å
60	A	67.8	Low	61.8	Low	18 Å²	18	53.5 Å²	53.5	15%	0.149	29%	0.285	C	S	.	.			trans	-53.2	144.8	175.8	0	0	0	0	0	111.9	P57 V62 F63 A68 L69	P57-A60 VanDerWaalsContact O-CB 3.31Å; P57-A60 WeakPolarHBondContact O-CB 3.27Å; P57-A60 PolarHBondContact O-N 2.82Å; A60-V62 VanDerWaalsContact C-N 3.35Å; A60-F63 HydrophobicContact CB-CD1 4.42Å; A60-F63 HydrophobicContact CB-CD2 4.37Å; A60-F63 HydrophobicContact CB-CE1 4.07Å; A60-F63 HydrophobicContact CB-CE2 4.02Å; A60-F63 HydrophobicContact CB-CZ 3.87Å; A60-A68 HydrophobicContact CB-CB 3.85Å; A60-L69 CarbonylContact C-O 3.53Å; A60-L69 WeakPolarHBondContact CB-O 3.02Å
61	A	58.2	Low	63.3	Low	49 Å²	49	51.5 Å²	51.5	41%	0.405	28%	0.275	S	S	.	.	S	Bend	trans	-71.8	-34.1	178.4	0	0	0	0	0	111.3	L69 E71 L74	A61-L69 PolarHBondContact N-O 2.91Å; A61-E71 HydrophobicContact CB-CG 4.1Å; A61-L74 HydrophobicContact CB-CD1 3.49Å; A61-L74 VanDerWaalsContact CB-CD1 3.49Å; A61-L74 HydrophobicContact CB-CG 4.43Å
62	V	64.1	Low	64.5	Low	58 Å²	58	51.4 Å²	51.4	35%	0.352	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.6	168.5	166.3	0	0	0	0	108.5	A60 L69 L74	A60-V62 VanDerWaalsContact C-N 3.35Å; V62-L69 PolarHBondContact N-O 3.3Å; V62-L69 WeakPolarHBondContact O-CB 3.34Å; V62-L69 PolarHBondContact O-N 3.41Å; V62-L74 HydrophobicContact CB-CD1 4.47Å; V62-L74 HydrophobicContact CB-CD2 3.96Å; V62-L74 HydrophobicContact CG2-CD1 4Å; V62-L74 HydrophobicContact CG2-CD2 3.83Å; V62-L74 HydrophobicContact CG2-CG 4.49Å
63	F	53.9	Low	65.4	Low	62 Å²	62	46 Å²	46	27%	0.272	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	151.4	168.5	-72.6	-87	0	0	0	111	P57 A60 I67 A68 C227 Y288	P57-F63 VanDerWaalsContact O-CE1 3.25Å; P57-F63 WeakPolarHBondContact O-CE1 3.08Å; P57-F63 WeakPolarHBondContact O-CZ 3.24Å; A60-F63 HydrophobicContact CB-CD1 4.42Å; A60-F63 HydrophobicContact CB-CD2 4.37Å; A60-F63 HydrophobicContact CB-CE1 4.07Å; A60-F63 HydrophobicContact CB-CE2 4.02Å; A60-F63 HydrophobicContact CB-CZ 3.87Å; F63-I67 WeakPolarHBondContact CA-O 3.23Å; F63-A68 HydrophobicContact CE1-CB 4.45Å; F63-C227 HydrophobicContact CE1-CB 4.42Å; F63-Y288 WeakPolarHBondContact O-CD2 3.36Å; F63-Y288 WeakPolarHBondContact O-CE2 3.41Å
64	W	53.5	Low	65.5	Low	24 Å²	24	41.6 Å²	41.6	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	69.4	173.8	-161.7	-64.8	0	0	0	109.3	I67 L69 I79 H264 L291 M293	W64-I67 PolarHBondContact N-O 3.5Å; W64-L69 HydrophobicContact CB-CD1 3.96Å; W64-L69 HydrophobicContact CB-CG 4.49Å; W64-L69 HydrophobicContact CE3-CD1 4.05Å; W64-I79 HydrophobicContact CZ3-CD1 4.15Å; W64-H264 PolarHBondContact O-CE1 3.25Å; W64-H264 PolarHBondContact O-NE2 2.86Å; W64-L291 HydrophobicContact CH2-CB 3.84Å; W64-L291 HydrophobicContact CH2-CD1 4.05Å; W64-L291 HydrophobicContact CZ2-CB 3.36Å; W64-L291 HydrophobicContact CZ2-CD1 4.32Å; W64-L291 HydrophobicContact CZ2-CG 4.48Å; W64-L291 HydrophobicContact CZ3-CD1 4.45Å; W64-M293 HydrophobicContact CZ2-SD 4Å
65	G	64.6	Low	65	Low	10 Å²	10	46 Å²	46	10%	0.103	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-140.5	-158.2	0	0	0	0	0	111	N289 Y313	G65-N289 WeakPolarHBondContact CA-OD1 3.23Å; G65-N289 PolarHBondContact N-OD1 2.79Å; G65-Y313 WeakPolarHBondContact CA-OH 3.05Å
66	D	54.9	Low	64.3	Low	31 Å²	31	47.3 Å²	47.3	17%	0.166	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8	162.5	36	48.3	0	0	0	112.6	A68 C226 C227 S228 H258 H264 Y313	D66-A68 PolarHBondContact O-N 3.42Å; D66-C226 WeakPolarHBondContact CB-O 3.13Å; D66-C227 WeakPolarHBondContact O-CA 3.49Å; D66-C227 WeakPolarHBondContact O-CB 3.41Å; D66-S228 PolarHBondContact O-N 3.32Å; D66-H258 IonicContact OD1-NE2 3.87Å; D66-H258 PolarHBondContact OD1-NE2 2.87Å; D66-H264 IonicContact OD1-NE2 3.21Å; D66-H264 PolarHBondContact OD1-NE2 2.78Å; D66-H264 IonicContact OD2-NE2 2.68Å; D66-H264 PolarHBondContact OD2-NE2 3.33Å; D66-Y313 PolarHBondContact OD2-OH 3.2Å
67	I	69.5	Low	63.2	Low	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.6	176.4	-59.7	172.1	0	0	0	111.2	F63 W64 L69 V230 W263 H264	F63-I67 WeakPolarHBondContact CA-O 3.23Å; W64-I67 PolarHBondContact N-O 3.5Å; I67-L69 HydrophobicContact CG2-CD2 4.05Å; I67-V230 HydrophobicContact CD1-CG2 3.87Å; I67-V230 HydrophobicContact CG1-CG2 4.13Å; I67-V230 HydrophobicContact CG2-CG2 3.73Å; I67-W263 HydrophobicContact CD1-CE3 3.58Å; I67-W263 HydrophobicContact CD1-CZ3 4Å; I67-W263 HydrophobicContact CG2-CZ3 3.9Å; I67-H264 WeakPolarHBondContact CG1-NE2 3.44Å
68	A	71.2	Confident	62	Low	1 Å²	1	56.5 Å²	56.5	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.5	173.6	0	0	0	0	0	112.5	P57 A60 F63 D66 S228 Y229	P57-A68 HydrophobicContact CB-CB 3.49Å; P57-A68 VanDerWaalsContact CB-CB 3.49Å; A60-A68 HydrophobicContact CB-CB 3.85Å; F63-A68 HydrophobicContact CE1-CB 4.45Å; D66-A68 PolarHBondContact O-N 3.42Å; A68-S228 PolarHBondContact N-O 2.04Å; A68-Y229 HydrophobicContact CB-CD1 3.88Å; A68-Y229 HydrophobicContact CB-CE1 3.67Å; A68-Y229 HydrophobicContact CB-CE2 4.44Å; A68-Y229 HydrophobicContact CB-CG 4.36Å; A68-Y229 VanDerWaalsContact O-CD1 3.28Å; A68-Y229 WeakPolarHBondContact O-CD1 3.5Å
69	L	70.9	Confident	60.6	Low	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.3	174.6	-53.5	177.4	0	0	0	110.8	A60 A61 V62 W64 I67 D73 F77 W263	A60-L69 CarbonylContact C-O 3.53Å; A60-L69 WeakPolarHBondContact CB-O 3.02Å; A61-L69 PolarHBondContact N-O 2.91Å; V62-L69 PolarHBondContact N-O 3.3Å; V62-L69 WeakPolarHBondContact O-CB 3.34Å; V62-L69 PolarHBondContact O-N 3.41Å; W64-L69 HydrophobicContact CB-CD1 3.96Å; W64-L69 HydrophobicContact CB-CG 4.49Å; W64-L69 HydrophobicContact CE3-CD1 4.05Å; I67-L69 HydrophobicContact CG2-CD2 4.05Å; L69-D73 WeakPolarHBondContact CA-OD2 3.18Å; L69-D73 HydrophobicContact CB-CB 3.98Å; L69-D73 HydrophobicContact CD2-CB 4.32Å; L69-F77 HydrophobicContact CD1-CD2 4.35Å; L69-F77 HydrophobicContact CD1-CE2 3.82Å; L69-F77 HydrophobicContact CD2-CE2 3.92Å; L69-F77 HydrophobicContact CD2-CZ 4.43Å; L69-F77 HydrophobicContact CG-CE2 4.41Å; L69-W263 HydrophobicContact CD2-CH2 4.14Å; L69-W263 HydrophobicContact CD2-CZ3 4.36Å
70	D	67.6	Low	58.8	Low	19 Å²	19	57.9 Å²	57.9	10%	0.102	30%	0.296	C	S	.	.			trans	-98.1	-177.9	176.6	65.9	25.6	0	0	0	113.2	K55 E72 D73 L74 R233	K55-D70 IonicContact NZ-OD2 3.37Å; K55-D70 PolarHBondContact NZ-OD2 2.69Å; D70-E72 PolarHBondContact O-N 3.48Å; D70-E72 WeakPolarHBondContact OD1-CA 3.32Å; D70-E72 VanDerWaalsContact OD1-CB 3.27Å; D70-E72 WeakPolarHBondContact OD1-CB 3.02Å; D70-E72 PolarHBondContact OD1-N 3.45Å; D70-D73 PolarHBondContact N-OD2 3.45Å; D70-D73 WeakPolarHBondContact O-CB 3.45Å; D70-D73 PolarHBondContact O-N 3.15Å; D70-D73 PolarHBondContact OD1-N 2.72Å; D70-L74 PolarHBondContact O-N 2.95Å; D70-R233 IonicContact OD1-NH2 2.7Å; D70-R233 PolarHBondContact OD1-NH2 2.9Å; D70-R233 IonicContact OD2-CZ 3.87Å; D70-R233 IonicContact OD2-NE 2.65Å; D70-R233 IonicContact OD2-NH2 3.4Å; D70-R233 PolarHBondContact OD2-NH2 2.88Å
71	E	64.6	Low	57.2	Low	140 Å²	140	68.7 Å²	68.7	65%	0.654	33%	0.333	S	S	*	.	H	α-helix	trans	-66.5	-22.8	-180	-64.3	-162.8	157.5	0	0	113.3	A61 Q75	A61-E71 HydrophobicContact CB-CG 4.1Å; E71-Q75 VanDerWaalsContact O-CG 3.25Å; E71-Q75 WeakPolarHBondContact O-CG 3.47Å; E71-Q75 PolarHBondContact O-N 3.39Å; E71-Q75 VanDerWaalsContact O-N 3.16Å; E71-Q75 PolarHBondContact O-NE2 2.91Å
72	E	64.4	Low	56.1	Low	98 Å²	98	71.8 Å²	71.8	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-71.9	-43.9	175.7	-49.5	176	125.2	0	0	109.2	K55 D70 M76	K55-E72 IonicContact NZ-OE2 2.67Å; K55-E72 PolarHBondContact NZ-OE2 2.8Å; D70-E72 PolarHBondContact O-N 3.48Å; D70-E72 WeakPolarHBondContact OD1-CA 3.32Å; D70-E72 VanDerWaalsContact OD1-CB 3.27Å; D70-E72 WeakPolarHBondContact OD1-CB 3.02Å; D70-E72 PolarHBondContact OD1-N 3.45Å; E72-M76 HydrophobicContact CB-CE 4.19Å; E72-M76 VanDerWaalsContact O-CG 3.24Å; E72-M76 WeakPolarHBondContact O-CG 3.28Å; E72-M76 PolarHBondContact O-N 3.32Å
73	D	65.1	Low	54.8	Low	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-58	-49.8	171.9	-68	-56.1	0	0	0	111.7	L69 D70 Q75 M76 F77 R169 R233	L69-D73 WeakPolarHBondContact CA-OD2 3.18Å; L69-D73 HydrophobicContact CB-CB 3.98Å; L69-D73 HydrophobicContact CD2-CB 4.32Å; D70-D73 PolarHBondContact N-OD2 3.45Å; D70-D73 WeakPolarHBondContact O-CB 3.45Å; D70-D73 PolarHBondContact O-N 3.15Å; D70-D73 PolarHBondContact OD1-N 2.72Å; D73-Q75 VanDerWaalsContact C-N 3.35Å; D73-Q75 PolarHBondContact O-N 2.75Å; D73-M76 PolarHBondContact O-N 3.43Å; D73-M76 VanDerWaalsContact O-N 3.1Å; D73-F77 HydrophobicContact CB-CD2 4.19Å; D73-F77 HydrophobicContact CB-CE2 3.76Å; D73-F77 WeakPolarHBondContact O-CD2 2.99Å; D73-F77 WeakPolarHBondContact O-CG 3.38Å; D73-F77 PolarHBondContact O-N 2.76Å; D73-R169 IonicContact OD1-CZ 3.23Å; D73-R169 IonicContact OD1-NH1 3.57Å; D73-R169 PolarHBondContact OD1-NH1 2.73Å; D73-R169 IonicContact OD1-NH2 3.06Å; D73-R169 PolarHBondContact OD1-NH2 2.74Å; D73-R233 VanDerWaalsContact CG-NH1 3.31Å; D73-R233 VanDerWaalsContact CG-NH2 3.33Å; D73-R233 IonicContact OD1-CZ 2.68Å; D73-R233 IonicContact OD1-NH1 3.56Å; D73-R233 PolarHBondContact OD1-NH1 3.41Å; D73-R233 IonicContact OD1-NH2 2.78Å; D73-R233 PolarHBondContact OD1-NH2 3.29Å; D73-R233 IonicContact OD2-CZ 2.7Å; D73-R233 IonicContact OD2-NH1 3.26Å; D73-R233 PolarHBondContact OD2-NH1 3.33Å; D73-R233 IonicContact OD2-NH2 3.63Å; D73-R233 PolarHBondContact OD2-NH2 2.03Å
74	L	61.2	Low	53.6	Low	48 Å²	48	80 Å²	80	25%	0.251	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-39.6	-177.8	-74.3	-180	0	0	0	113.5	A61 V62 D70 M76 I79	A61-L74 HydrophobicContact CB-CD1 3.49Å; A61-L74 VanDerWaalsContact CB-CD1 3.49Å; A61-L74 HydrophobicContact CB-CG 4.43Å; V62-L74 HydrophobicContact CB-CD1 4.47Å; V62-L74 HydrophobicContact CB-CD2 3.96Å; V62-L74 HydrophobicContact CG2-CD1 4Å; V62-L74 HydrophobicContact CG2-CD2 3.83Å; V62-L74 HydrophobicContact CG2-CG 4.49Å; D70-L74 PolarHBondContact O-N 2.95Å; L74-M76 VanDerWaalsContact C-N 3.29Å; L74-M76 PolarHBondContact O-N 2.52Å; L74-I79 HydrophobicContact CD2-CD1 3.91Å
75	Q	56.7	Low	52.6	Low	144 Å²	144	86.1 Å²	86.1	67%	0.673	42%	0.424	S	S	*	.	H	α-helix	trans	-67.2	-32.6	176.6	-72.5	172.9	55.9	0	0	111.8	E71 D73	E71-Q75 VanDerWaalsContact O-CG 3.25Å; E71-Q75 WeakPolarHBondContact O-CG 3.47Å; E71-Q75 PolarHBondContact O-N 3.39Å; E71-Q75 VanDerWaalsContact O-N 3.16Å; E71-Q75 PolarHBondContact O-NE2 2.91Å; D73-Q75 VanDerWaalsContact C-N 3.35Å; D73-Q75 PolarHBondContact O-N 2.75Å
76	M	53.8	Low	50.9	Low	96 Å²	96	94.6 Å²	94.6	47%	0.473	46%	0.458	S	S	.	.	H	α-helix	trans	-79.7	-31.7	179.9	-67.4	178	-153.3	0	0	113.8	E72 D73 L74 H78 R166	E72-M76 HydrophobicContact CB-CE 4.19Å; E72-M76 VanDerWaalsContact O-CG 3.24Å; E72-M76 WeakPolarHBondContact O-CG 3.28Å; E72-M76 PolarHBondContact O-N 3.32Å; D73-M76 PolarHBondContact O-N 3.43Å; D73-M76 VanDerWaalsContact O-N 3.1Å; L74-M76 VanDerWaalsContact C-N 3.29Å; L74-M76 PolarHBondContact O-N 2.52Å; M76-H78 VanDerWaalsContact C-N 3.31Å; M76-H78 PolarHBondContact O-N 2.93Å; M76-R166 PolarHBondContact SD-NH1 2.76Å; M76-R166 VanDerWaalsContact SD-NH1 3.35Å; M76-R166 PolarHBondContact SD-NH2 2.03Å
77	F	51.3	Low	49.7	Very low	28 Å²	28	101.8 Å²	101.8	12%	0.123	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.3	-177.2	-68.9	-47.8	0	0	0	115.6	L69 D73 I79 W263 M293 E297	L69-F77 HydrophobicContact CD1-CD2 4.35Å; L69-F77 HydrophobicContact CD1-CE2 3.82Å; L69-F77 HydrophobicContact CD2-CE2 3.92Å; L69-F77 HydrophobicContact CD2-CZ 4.43Å; L69-F77 HydrophobicContact CG-CE2 4.41Å; D73-F77 HydrophobicContact CB-CD2 4.19Å; D73-F77 HydrophobicContact CB-CE2 3.76Å; D73-F77 WeakPolarHBondContact O-CD2 2.99Å; D73-F77 WeakPolarHBondContact O-CG 3.38Å; D73-F77 PolarHBondContact O-N 2.76Å; F77-I79 HydrophobicContact CB-CD1 3.84Å; F77-I79 HydrophobicContact CB-CG1 3.78Å; F77-I79 HydrophobicContact CD2-CD1 4.26Å; F77-I79 HydrophobicContact CG-CD1 4.47Å; F77-I79 PolarHBondContact O-N 3.21Å; F77-W263 HydrophobicContact CZ-CH2 4.04Å; F77-M293 HydrophobicContact CE1-CE 3.95Å; F77-M293 HydrophobicContact CZ-CE 4.03Å; F77-E297 HydrophobicContact CD1-CG 4.31Å; F77-E297 HydrophobicContact CE1-CG 3.87Å
78	H	46.9	Very low	47.9	Very low	174 Å²	174	111 Å²	111	81%	0.806	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.7	-177	-69.2	-5.3	0	0	0	114.1	M76 D80	M76-H78 VanDerWaalsContact C-N 3.31Å; M76-H78 PolarHBondContact O-N 2.93Å; H78-D80 PolarHBondContact O-N 2.67Å; H78-D80 VanDerWaalsContact O-N 3.13Å
79	I	42.1	Very low	45.7	Very low	84 Å²	84	117 Å²	117	43%	0.431	57%	0.57	S	S	.	*			trans	-69.2	111	178.1	-62.6	167.5	0	0	0	108.9	W64 L74 F77	W64-I79 HydrophobicContact CZ3-CD1 4.15Å; L74-I79 HydrophobicContact CD2-CD1 3.91Å; F77-I79 HydrophobicContact CB-CD1 3.84Å; F77-I79 HydrophobicContact CB-CG1 3.78Å; F77-I79 HydrophobicContact CD2-CD1 4.26Å; F77-I79 HydrophobicContact CG-CD1 4.47Å; F77-I79 PolarHBondContact O-N 3.21Å
80	D	32.4	Very low	43.6	Very low	129 Å²	129	125.2 Å²	125.2	69%	0.69	61%	0.608	S	S	*	*			trans	-67.2	135.1	-175.2	-162	-0.2	0	0	0	111.6	H78 T82	H78-D80 PolarHBondContact O-N 2.67Å; H78-D80 VanDerWaalsContact O-N 3.13Å; D80-T82 VanDerWaalsContact C-N 3.26Å; D80-T82 PolarHBondContact O-N 3.36Å; D80-T82 PolarHBondContact O-OG1 2.83Å
81	R	33.3	Very low	41.6	Very low	246 Å²	246	131.1 Å²	131.1	93%	0.928	64%	0.644	S	S	*	*	S	Bend	trans	-75.9	70	-169.1	-79.4	-175.6	167.8	-176.1	-2.8	112.1
82	T	35.8	Very low	39.9	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.693	65%	0.653	S	S	*	*			trans	-123.8	11.4	-174.8	53.4	0	0	0	0	114.9	D80	D80-T82 VanDerWaalsContact C-N 3.26Å; D80-T82 PolarHBondContact O-N 3.36Å; D80-T82 PolarHBondContact O-OG1 2.83Å
83	I	37.1	Very low	38	Very low	145 Å²	145	135.6 Å²	135.6	74%	0.744	67%	0.667	S	S	*	*			trans	-116.5	85	163.4	-53.4	-179.7	0	0	0	108.2	L85	I83-L85 HydrophobicContact CG2-CD1 3.92Å; I83-L85 HydrophobicContact CG2-CG 4.2Å
84	D	28.1	Very low	36.2	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	71%	0.705	S	S	*	*			trans	-83.9	114.4	169.7	-170.6	-7.1	0	0	0	109.4	K86	D84-K86 PolarHBondContact OD1-N 3.42Å; D84-K86 VanDerWaalsContact OD1-N 3.17Å
85	L	32.3	Very low	34.5	Very low	153 Å²	153	146.2 Å²	146.2	80%	0.801	73%	0.727	S	S	*	*			trans	-114.4	18.2	-174.9	-107.2	168.6	0	0	0	113.1	I83	I83-L85 HydrophobicContact CG2-CD1 3.92Å; I83-L85 HydrophobicContact CG2-CG 4.2Å
86	K	30.1	Very low	33	Very low	188 Å²	188	149.5 Å²	149.5	82%	0.817	73%	0.733	S	S	*	*			trans	-109.4	63.6	-177.6	-75.9	-166.9	174.2	-178.2	0	114.7	D84	D84-K86 PolarHBondContact OD1-N 3.42Å; D84-K86 VanDerWaalsContact OD1-N 3.17Å
87	Q	30.3	Very low	31.7	Very low	182 Å²	182	153.2 Å²	153.2	85%	0.85	75%	0.749	S	S	*	*			trans	-155.3	69.4	165.2	-146	170	85.8	0	0	116.6
88	H	30.2	Very low	30.4	Very low	195 Å²	195	155 Å²	155	90%	0.903	78%	0.775	S	S	*	*			trans	-148.4	82	168.2	-108.7	35.5	0	0	0	113.8
89	T	25.2	Very low	29.4	Very low	126 Å²	126	155 Å²	155	77%	0.773	78%	0.775	S	S	*	*			trans	-154.8	113.7	162.2	19.9	0	0	0	0	112.1
90	H	27.7	Very low	28.7	Very low	175 Å²	175	156.6 Å²	156.6	81%	0.81	79%	0.789	S	S	*	*			trans	64	153	171.5	-58.3	-66.5	0	0	0	116.4
91	V	25.8	Very low	28.6	Very low	142 Å²	142	156.3 Å²	156.3	86%	0.861	80%	0.797	S	S	*	*			cis	-130.2	164.9	29.2	173.1	0	0	0	0	113.2
92	R	27.3	Very low	28.2	Very low	225 Å²	225	148.6 Å²	148.6	85%	0.849	79%	0.794	S	S	*	*			trans	-71.9	150.9	-178.4	-62	168.3	162.7	167.3	-6.6	114.5
93	S	24.7	Very low	27.7	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	80%	0.799	S	S	*	*				148.4	158.9	103.7	65.1	0	0	0	0	116.9
94	H	27.6	Very low	27.2	Very low	170 Å²	170	148.9 Å²	148.9	79%	0.787	81%	0.81	S	S	*	*			trans	79.5	81.1	156.2	-74.8	14.4	0	0	0	123.2
95	S	24.9	Very low	27.1	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	81%	0.808	S	S	*	*				78.2	144.6	111.7	81.3	0	0	0	0	124.5
96	R	26.9	Very low	26.7	Very low	213 Å²	213	147 Å²	147	80%	0.804	81%	0.812	S	S	*	*			trans	90.9	107.2	154.2	-68.4	-169	173.8	179.4	-1.9	121.4
97	Q	25.2	Very low	26.6	Very low	174 Å²	174	147 Å²	147	81%	0.813	81%	0.814	S	S	*	*				52	125.7	122.9	-61	169.5	-75.8	0	0	121.2
98	G	24.5	Very low	26.2	Very low	64 Å²	64	147.2 Å²	147.2	66%	0.66	82%	0.815	S	S	*	*				134.4	103.7	119.4	0	0	0	0	0	120.3
99	H	26.4	Very low	26	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	81%	0.811	S	S	*	*			trans	52	111.5	133.1	-67.2	-79.6	0	0	0	123.6
100	T	27.9	Very low	26.1	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	81%	0.813	S	S	*	*				68.6	147.9	124.5	60	0	0	0	0	124.3
101	S	28.3	Very low	26	Very low	122 Å²	122	146.4 Å²	146.4	85%	0.853	81%	0.814	S	S	*	*			trans	71.8	140	154.1	53.2	0	0	0	0	119
102	G	26.7	Very low	26.1	Very low	84 Å²	84	151.7 Å²	151.7	87%	0.866	82%	0.819	S	S	*	*			trans	-116.1	-173.6	-176.3	0	0	0	0	0	114.4
103	G	24.9	Very low	26.3	Very low	78 Å²	78	144 Å²	144	80%	0.804	81%	0.81	S	S	*	*			trans	178.8	162.7	178.9	0	0	0	0	0	111.5
104	L	27.1	Very low	27.1	Very low	186 Å²	186	144 Å²	144	97%	0.974	81%	0.809	S	S	*	*			trans	-96.9	152.5	174.2	-75.4	73.8	0	0	0	110.3
105	G	25.4	Very low	27.5	Very low	72 Å²	72	143 Å²	143	74%	0.742	81%	0.809	S	S	*	*			trans	155.7	96.5	160.9	0	0	0	0	0	117.5
106	E	23.9	Very low	28.1	Very low	190 Å²	190	148.1 Å²	148.1	89%	0.888	81%	0.814	S	S	*	*			trans	52.4	117	142.4	-54.5	-170.6	145.2	0	0	123.2
107	H	27.3	Very low	28.5	Very low	186 Å²	186	145 Å²	145	86%	0.861	81%	0.813	S	S	*	*			trans	32.8	119.7	139.2	-78.8	-95.3	0	0	0	122.9
108	E	22.3	Very low	29.2	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.874	81%	0.806	S	S	*	*				-162.2	179.5	100	-117.3	-176.7	-171.7	0	0	113.6
109	D	26.2	Very low	29.8	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	81%	0.811	S	S	*	*			trans	-67.3	139	-157.2	-88.3	-58.1	0	0	0	120
110	V	26.1	Very low	30.1	Very low	135 Å²	135	144.9 Å²	144.9	82%	0.818	80%	0.803	S	S	*	*			trans	-143.1	113.2	143.8	-175.8	0	0	0	0	112.9
111	K	26.9	Very low	30.3	Very low	193 Å²	193	149.8 Å²	149.8	84%	0.839	81%	0.808	S	S	*	*			trans	26.4	111.8	152.4	-60.1	176.6	-178.2	173.6	0	119.9
112	R	28.4	Very low	30.6	Very low	252 Å²	252	151.4 Å²	151.4	95%	0.951	81%	0.805	S	S	*	*			trans	-68.7	136.1	157	-79.2	-179.9	169.6	166.4	-2.9	111.9
113	G	31.6	Very low	30.9	Very low	64 Å²	64	158.6 Å²	158.6	66%	0.66	81%	0.806	S	S	*	*			trans	-82.3	161.4	177.8	0	0	0	0	0	115.3	L115	G113-L115 PolarHBondContact O-N 3.46Å
114	S	40.6	Very low	31.2	Very low	106 Å²	106	163.7 Å²	163.7	74%	0.741	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-52.6	-18.1	-166.8	-153.7	0	0	0	0	118.2	Y116 L117	S114-Y116 VanDerWaalsContact C-N 3.3Å; S114-Y116 PolarHBondContact O-N 2.8Å; S114-L117 PolarHBondContact O-N 3Å
115	L	36.3	Very low	31.3	Very low	149 Å²	149	165.4 Å²	165.4	78%	0.78	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-63.9	-29.1	-164.7	-156.1	71.1	0	0	0	114.4	G113 L117	G113-L115 PolarHBondContact O-N 3.46Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.88Å
116	Y	36.9	Very low	31.3	Very low	210 Å²	210	165.1 Å²	165.1	82%	0.824	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-78.5	-12	-174.5	-141.9	-89.8	0	0	0	114.4	S114	S114-Y116 VanDerWaalsContact C-N 3.3Å; S114-Y116 PolarHBondContact O-N 2.8Å
117	L	36.5	Very low	31.4	Very low	149 Å²	149	165.3 Å²	165.3	78%	0.78	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-97.9	-10.3	-177.9	-84.8	166.2	0	0	0	114.4	S114 L115	S114-L117 PolarHBondContact O-N 3Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.88Å
118	L	38.6	Very low	31.3	Very low	128 Å²	128	162.4 Å²	162.4	67%	0.67	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-35	177.6	-142.5	93.1	0	0	0	112.4	E120 R121	L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 2.79Å; L118-R121 PolarHBondContact O-N 2.88Å; L118-R121 VanDerWaalsContact O-N 3.11Å
119	L	37	Very low	31.4	Very low	145 Å²	145	164 Å²	164	76%	0.759	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-16.8	-170.2	-77.8	163.6	0	0	0	115.2
120	E	32.9	Very low	31.4	Very low	138 Å²	138	163.1 Å²	163.1	65%	0.645	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-26.3	170	-88.2	-119.7	112.8	0	0	113	L118 I122 R123	L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 2.79Å; E120-I122 PolarHBondContact O-N 2.77Å; E120-R123 PolarHBondContact O-N 2.78Å
121	R	32.1	Very low	31.3	Very low	220 Å²	220	162.6 Å²	162.6	83%	0.83	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-10.7	-160.7	-147.2	172.6	-166	165.4	5.5	115.3	L118	L118-R121 PolarHBondContact O-N 2.88Å; L118-R121 VanDerWaalsContact O-N 3.11Å
122	I	35.6	Very low	31.2	Very low	155 Å²	155	162.2 Å²	162.2	80%	0.795	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-2.3	-178.3	-60.5	177	0	0	0	111.8	E120	E120-I122 PolarHBondContact O-N 2.77Å
123	R	31.5	Very low	31	Very low	235 Å²	235	155.8 Å²	155.8	89%	0.887	76%	0.763	S	S	*	*	S	Bend	trans	-93.8	3.6	180	-113.8	-179	-175.5	179.4	2.7	116	E120	E120-R123 PolarHBondContact O-N 2.78Å
124	R	32.8	Very low	30.6	Very low	185 Å²	185	159.7 Å²	159.7	70%	0.698	76%	0.764	S	S	*	*			trans	-142.5	98.4	174.3	-81.1	-175.6	-85.8	-171.2	-8	111.3
125	F	28.1	Very low	29.9	Very low	223 Å²	223	159.2 Å²	159.2	98%	0.978	76%	0.761	S	S	*	*			trans	-168.2	127.7	134.1	-101.8	-62.6	0	0	0	110.8
126	G	25.1	Very low	29.5	Very low	65 Å²	65	161.2 Å²	161.2	67%	0.67	76%	0.763	S	S	*	*			trans	169.2	99.8	174.5	0	0	0	0	0	111.9
127	F	27.3	Very low	28.9	Very low	194 Å²	194	155 Å²	155	85%	0.851	76%	0.763	S	S	*	*			trans	160.8	148.7	133	-100.1	-84.2	0	0	0	112.2
128	D	25.2	Very low	28.3	Very low	125 Å²	125	152.8 Å²	152.8	67%	0.668	77%	0.766	S	S	*	*			trans	50.4	116.4	160.2	-57.5	-37.6	0	0	0	121.8
129	Y	23.2	Very low	27.6	Very low	222 Å²	222	151.4 Å²	151.4	87%	0.871	77%	0.773	S	S	*	*				-159.3	161.6	90.4	-132.5	-102.1	0	0	0	113.6
130	I	26.2	Very low	27	Very low	132 Å²	132	149.6 Å²	149.6	68%	0.677	77%	0.773	S	S	*	*			trans	-121.9	141.3	179.5	-64.3	167.9	0	0	0	110.1
131	P	25.4	Very low	26.6	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	77%	0.772	S	S	*	*			trans	-119.2	150.8	140.9	-2.4	23.6	0	0	0	113.5
132	K	23.2	Very low	26.2	Very low	185 Å²	185	145.7 Å²	145.7	80%	0.804	77%	0.771	S	S	*	*			trans	-81.6	170.9	170.9	-58	179.5	177.6	174.6	0	109.3
133	N	24.1	Very low	25.7	Very low	117 Å²	117	142.5 Å²	142.5	63%	0.626	76%	0.762	S	S	*	*				-175.2	147.2	56.4	-148.3	35.6	0	0	0	114.6
134	E	24.2	Very low	25.3	Very low	147 Å²	147	139.7 Å²	139.7	69%	0.687	76%	0.759	S	S	*	*			trans	52.2	147.6	145.4	-75.7	-176	134.5	0	0	122.1
135	S	25.6	Very low	24.8	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	77%	0.768	S	S	*	*			cis	-154.5	151.7	20	45.9	0	0	0	0	115.5
136	K	27.2	Very low	24.5	Very low	190 Å²	190	138.4 Å²	138.4	83%	0.826	76%	0.764	S	S	*	*			trans	37.5	133.1	138.9	-56.6	165.1	-171.7	168.8	0	119.1
137	G	24.8	Very low	24.5	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	77%	0.773	S	S	*	*			cis	176.7	-157.6	7.8	0	0	0	0	0	108.1
138	A	25.1	Very low	24.4	Very low	103 Å²	103	139.2 Å²	139.2	85%	0.851	77%	0.771	S	S	*	*			cis	-176.3	168.1	-12.8	0	0	0	0	0	106.8
139	A	23.6	Very low	24.4	Very low	100 Å²	100	137.2 Å²	137.2	83%	0.826	78%	0.78	S	S	*	*			cis	176	117.7	-27.2	0	0	0	0	0	109.1
140	S	23.6	Very low	24.7	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	78%	0.778	S	S	*	*			trans	-174.9	128.3	156.8	-166.9	0	0	0	0	108.5
141	S	24.7	Very low	25	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	78%	0.783	S	S	*	*			cis	86.3	132.3	34.4	99.6	0	0	0	0	113.4
142	K	23.9	Very low	25	Very low	185 Å²	185	131.4 Å²	131.4	80%	0.804	78%	0.784	S	S	*	*			cis	-135.8	-160.1	1.5	-56	176.1	-179.5	174.9	0	108.9
143	S	24.1	Very low	25.3	Very low	87 Å²	87	132 Å²	132	61%	0.608	79%	0.789	S	S	*	*			cis	-158.4	126.6	0.8	-127.5	0	0	0	0	108.1
144	Q	23.8	Very low	25.5	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.822	80%	0.799	S	S	*	*				68.8	110.3	92.9	-69.6	-168.8	-50.6	0	0	119.2
145	T	22.1	Very low	25.7	Very low	142 Å²	142	129.1 Å²	129.1	87%	0.871	81%	0.807	S	S	*	*			trans	-148.1	149.7	138.3	19.8	0	0	0	0	108.1
146	W	22.3	Very low	26	Very low	240 Å²	240	133.7 Å²	133.7	91%	0.909	82%	0.815	S	S	*	*			trans	-158.1	159.6	-168.9	-118.2	78.8	0	0	0	114.7
147	K	24.8	Very low	26.4	Very low	196 Å²	196	130.2 Å²	130.2	85%	0.852	81%	0.814	S	S	*	*			trans	73	130.8	179.1	-55.3	-176.6	177.2	-175.7	0	115.3
148	G	25.1	Very low	26.9	Very low	79 Å²	79	134.7 Å²	134.7	81%	0.814	81%	0.807	S	S	*	*			cis	-166.3	163.8	-8.2	0	0	0	0	0	108.4
149	G	25.4	Very low	27.6	Very low	83 Å²	83	133.5 Å²	133.5	86%	0.856	79%	0.789	S	S	*	*			cis	109.6	128.3	22.3	0	0	0	0	0	108.9
150	S	29	Very low	28.5	Very low	117 Å²	117	131 Å²	131	82%	0.818	76%	0.764	S	S	*	*			cis	-159.8	-170.4	8.9	64.6	0	0	0	0	108.5
151	P	33.6	Very low	30.5	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	74%	0.739	S	S	*	*			cis	-124.5	172.1	-9.1	41.3	-26.6	0	0	0	114.4
152	S	24.8	Very low	32	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	71%	0.709	S	S	*	*			trans	-127.3	141.3	166.4	50.2	0	0	0	0	110.4
153	E	29.6	Very low	34.1	Very low	196 Å²	196	115.7 Å²	115.7	92%	0.916	67%	0.671	S	S	*	*			trans	-79.7	147.4	175.4	-67.5	-167.5	115.9	0	0	111.8	A155	E153-A155 PolarHBondContact O-N 3.23Å; E153-A155 VanDerWaalsContact O-N 3.13Å
154	A	28.5	Very low	36.3	Very low	101 Å²	101	111.6 Å²	111.6	84%	0.835	64%	0.643	S	S	*	*			trans	-82.7	91.1	-175.1	0	0	0	0	0	111.8	K156	A154-K156 PolarHBondContact O-N 2.88Å
155	A	29.1	Very low	38.5	Very low	103 Å²	103	105.4 Å²	105.4	85%	0.851	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-59.4	118.4	170.3	0	0	0	0	0	111	E153 S157	E153-A155 PolarHBondContact O-N 3.23Å; E153-A155 VanDerWaalsContact O-N 3.13Å; A155-S157 PolarHBondContact O-N 3.06Å
156	K	30.9	Very low	40.9	Very low	193 Å²	193	100.3 Å²	100.3	84%	0.839	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-71.5	123.1	171.9	-70.6	177.6	178.8	174.9	0	109.1	A154 R158	A154-K156 PolarHBondContact O-N 2.88Å; K156-R158 PolarHBondContact O-N 3.45Å
157	S	36.6	Very low	43.4	Very low	116 Å²	116	92.7 Å²	92.7	81%	0.811	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-57.1	121.6	175.3	-174.8	0	0	0	0	111	A155	A155-S157 PolarHBondContact O-N 3.06Å
158	R	33.4	Very low	46	Very low	174 Å²	174	88.3 Å²	88.3	66%	0.657	55%	0.554	S	S	*	*			trans	-112.8	144.8	168.6	-64.1	-174.4	-178.3	-166.4	2	107.9	K156 D273	K156-R158 PolarHBondContact O-N 3.45Å; R158-D273 IonicContact CZ-OD1 2.75Å; R158-D273 IonicContact CZ-OD2 2.68Å; R158-D273 IonicContact NH1-OD1 3.35Å; R158-D273 PolarHBondContact NH1-OD1 3.18Å; R158-D273 IonicContact NH1-OD2 3.47Å; R158-D273 PolarHBondContact NH1-OD2 3.3Å
159	V	40.7	Very low	48.8	Very low	77 Å²	77	85.1 Å²	85.1	47%	0.467	52%	0.517	S	S	.	.			trans	-116.9	103.7	-175.3	-177.5	0	0	0	0	109.6	R161	V159-R161 HydrophobicContact CG1-CG 4.13Å; V159-R161 PolarHBondContact O-NE 2.77Å
160	P	42.1	Very low	51.7	Low	47 Å²	47	83.4 Å²	83.4	31%	0.305	49%	0.488	S	S	.	.			trans	-74.7	137.1	-178.6	-12.4	28.4	0	0	0	112.6	R268 D270 S300	P160-R268 VanDerWaalsContact CB-NH2 3.28Å; P160-D270 WeakPolarHBondContact CA-OD2 3.06Å; P160-D270 WeakPolarHBondContact CB-OD2 3.42Å; P160-S300 WeakPolarHBondContact O-CB 3.42Å; P160-S300 PolarHBondContact O-N 2.85Å; P160-S300 PolarHBondContact O-OG 3.17Å
161	R	65.2	Low	54.5	Low	60 Å²	60	78 Å²	78	23%	0.226	45%	0.45	C	S	.	.			trans	-146.9	115.6	-167.5	-70.6	-179.6	-97.6	-150.3	-6.1	119	V159 R268 P269 D270 P295 V298 S300	V159-R161 HydrophobicContact CG1-CG 4.13Å; V159-R161 PolarHBondContact O-NE 2.77Å; R161-R268 WeakPolarHBondContact O-CB 3.4Å; R161-R268 WeakPolarHBondContact O-CG 3.43Å; R161-P269 HydrophobicContact CB-CG 3.96Å; R161-P269 WeakPolarHBondContact O-CD 3.49Å; R161-D270 PolarHBondContact N-OD1 2.8Å; R161-P295 PolarHBondContact NH1-O 3.13Å; R161-V298 HydrophobicContact CB-CG1 4.01Å; R161-V298 WeakPolarHBondContact CB-O 3.3Å; R161-V298 WeakPolarHBondContact CD-O 3.4Å; R161-V298 WeakPolarHBondContact CG-O 3.41Å; R161-V298 WeakPolarHBondContact O-CG2 3.37Å; R161-S300 VanDerWaalsContact CA-N 3.33Å; R161-S300 WeakPolarHBondContact CA-OG 3.14Å; R161-S300 PolarHBondContact N-OG 2.81Å; R161-S300 VanDerWaalsContact N-OG 3.09Å
162	A	57.8	Low	56.8	Low	2 Å²	2	76.5 Å²	76.5	2%	0.017	44%	0.44	C	S	.	.			trans	-133.1	-42.1	-176	0	0	0	0	0	120.4	E265 R268 V298 N299 S300	A162-E265 WeakPolarHBondContact CB-OE2 3.44Å; A162-R268 HydrophobicContact CB-CG 3.86Å; A162-V298 VanDerWaalsContact CA-CG2 3.43Å; A162-V298 WeakPolarHBondContact O-CG2 3.42Å; A162-N299 VanDerWaalsContact N-C 3.32Å; A162-S300 WeakPolarHBondContact CB-OG 3.48Å; A162-S300 VanDerWaalsContact N-N 3.17Å; A162-S300 PolarHBondContact N-OG 2.81Å
163	A	67.3	Low	59.1	Low	0 Å²	0	74.5 Å²	74.5	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	170.2	178.5	0	0	0	0	0	112.7	S165 F262 V298 N299 Q353 L357	A163-S165 PolarHBondContact O-N 2.8Å; A163-F262 HydrophobicContact CB-CD1 3.71Å; A163-F262 HydrophobicContact CB-CE1 3.91Å; A163-V298 CarbonylContact O-C 3.52Å; A163-V298 WeakPolarHBondContact O-CA 3.41Å; A163-N299 WeakPolarHBondContact CA-O 3.37Å; A163-N299 WeakPolarHBondContact CB-O 3.34Å; A163-N299 PolarHBondContact N-O 2.9Å; A163-N299 PolarHBondContact O-N 3.29Å; A163-Q353 HydrophobicContact CB-CG 4.07Å; A163-L357 HydrophobicContact CB-CD2 4.32Å
164	T	70.4	Confident	61.5	Low	2 Å²	2	65.1 Å²	65.1	1%	0.012	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	133.8	177.3	-170	0	0	0	0	112.8	R166 R169 I170 G261 L357	T164-R166 PolarHBondContact OG1-N 3.4Å; T164-R169 HydrophobicContact CG2-CB 4.33Å; T164-I170 HydrophobicContact CG2-CG1 4.41Å; T164-G261 WeakPolarHBondContact CB-O 3.44Å; T164-G261 WeakPolarHBondContact CG2-O 3.43Å; T164-G261 PolarHBondContact N-O 3.24Å; T164-L357 HydrophobicContact CG2-CD1 4.48Å
165	S	70.6	Confident	64.1	Low	45 Å²	45	61.6 Å²	61.6	32%	0.315	36%	0.363	S	S	.	.			trans	-82.5	-18.9	172.6	62.9	0	0	0	0	113.5	A163 G296 E297	A163-S165 PolarHBondContact O-N 2.8Å; S165-G296 WeakPolarHBondContact CB-O 3.33Å; S165-G296 PolarHBondContact OG-O 3.16Å; S165-E297 PolarHBondContact N-O 3.33Å; S165-E297 VanDerWaalsContact OG-CA 3.24Å; S165-E297 WeakPolarHBondContact OG-CA 3.42Å; S165-E297 PolarHBondContact OG-O 3.45Å
166	R	71.5	Confident	67	Low	36 Å²	36	56.7 Å²	56.7	14%	0.136	32%	0.322	C	S	.	.			trans	-84.7	116.8	-165.5	-80.3	174.7	174.8	-114	11.6	112	M76 T164 E168 R169 E297	M76-R166 PolarHBondContact SD-NH1 2.76Å; M76-R166 VanDerWaalsContact SD-NH1 3.35Å; M76-R166 PolarHBondContact SD-NH2 2.03Å; T164-R166 PolarHBondContact OG1-N 3.4Å; R166-E168 VanDerWaalsContact C-N 3.25Å; R166-E168 WeakPolarHBondContact CB-OE1 3.14Å; R166-E168 WeakPolarHBondContact CB-OE2 3.23Å; R166-E168 VanDerWaalsContact CD-OE1 3.26Å; R166-E168 WeakPolarHBondContact CD-OE1 3.32Å; R166-E168 WeakPolarHBondContact CG-OE1 3.09Å; R166-E168 IonicContact CZ-OE1 4Å; R166-E168 IonicContact NE-OE1 2.73Å; R166-E168 IonicContact NH1-OE1 2.67Å; R166-E168 PolarHBondContact NH1-OE1 3.33Å; R166-E168 PolarHBondContact O-N 2.74Å; R166-R169 HydrophobicContact CB-CB 4.28Å; R166-R169 HydrophobicContact CB-CG 3.97Å; R166-R169 VanDerWaalsContact CD-NE 3.28Å; R166-R169 PolarHBondContact O-N 3.23Å; R166-R169 VanDerWaalsContact O-N 3.16Å; R166-E297 WeakPolarHBondContact CD-OE2 3.35Å; R166-E297 IonicContact CZ-OE1 2.92Å; R166-E297 IonicContact CZ-OE2 3.38Å; R166-E297 VanDerWaalsContact NE-CD 3.33Å; R166-E297 IonicContact NE-OE1 3.86Å; R166-E297 PolarHBondContact NE-OE1 3.17Å; R166-E297 VanDerWaalsContact NE-OE1 3.16Å; R166-E297 IonicContact NE-OE2 3.16Å; R166-E297 PolarHBondContact NE-OE2 3.46Å; R166-E297 IonicContact NH2-OE1 3.78Å; R166-E297 PolarHBondContact NH2-OE1 3.5Å; R166-E297 IonicContact NH2-OE2 2.76Å; R166-E297 PolarHBondContact NH2-OE2 2.9Å
167	A	76.1	Confident	69.7	Low	80 Å²	80	47.9 Å²	47.9	66%	0.661	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-64.2	-29.5	-177.3	0	0	0	0	0	113	R169 I170	A167-R169 VanDerWaalsContact C-N 3.27Å; A167-R169 PolarHBondContact O-N 3.48Å; A167-I170 PolarHBondContact O-N 3.22Å
168	E	78.8	Confident	72.3	Confident	104 Å²	104	43.4 Å²	43.4	49%	0.486	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-69	-23.9	177.9	70.7	-80.9	-168.6	0	0	113.6	R166	R166-E168 VanDerWaalsContact C-N 3.25Å; R166-E168 WeakPolarHBondContact CB-OE1 3.14Å; R166-E168 WeakPolarHBondContact CB-OE2 3.23Å; R166-E168 VanDerWaalsContact CD-OE1 3.26Å; R166-E168 WeakPolarHBondContact CD-OE1 3.32Å; R166-E168 WeakPolarHBondContact CG-OE1 3.09Å; R166-E168 IonicContact CZ-OE1 4Å; R166-E168 IonicContact NE-OE1 2.73Å; R166-E168 IonicContact NH1-OE1 2.67Å; R166-E168 PolarHBondContact NH1-OE1 3.33Å; R166-E168 PolarHBondContact O-N 2.74Å
169	R	83.2	Confident	74.9	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.042	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-88	-7.1	178	-60.6	-170.4	-172.6	-157.8	-0.2	113.8	D73 T164 R166 A167 G231 R232	D73-R169 IonicContact OD1-CZ 3.23Å; D73-R169 IonicContact OD1-NH1 3.57Å; D73-R169 PolarHBondContact OD1-NH1 2.73Å; D73-R169 IonicContact OD1-NH2 3.06Å; D73-R169 PolarHBondContact OD1-NH2 2.74Å; T164-R169 HydrophobicContact CG2-CB 4.33Å; R166-R169 HydrophobicContact CB-CB 4.28Å; R166-R169 HydrophobicContact CB-CG 3.97Å; R166-R169 VanDerWaalsContact CD-NE 3.28Å; R166-R169 PolarHBondContact O-N 3.23Å; R166-R169 VanDerWaalsContact O-N 3.16Å; A167-R169 VanDerWaalsContact C-N 3.27Å; A167-R169 PolarHBondContact O-N 3.48Å; R169-G231 WeakPolarHBondContact O-CA 3.22Å; R169-R232 WeakPolarHBondContact CA-O 3.24Å; R169-R232 PolarHBondContact O-N 2.84Å
170	I	87.1	Confident	76.9	Confident	47 Å²	47	35.1 Å²	35.1	24%	0.241	22%	0.218	C	C	.	.	S	Bend	trans	-82.5	129.5	177.4	-58.7	177.8	0	0	0	108.8	T164 A167 L357 Y358	T164-I170 HydrophobicContact CG2-CG1 4.41Å; A167-I170 PolarHBondContact O-N 3.22Å; I170-L357 HydrophobicContact CD1-CD1 3.73Å; I170-L357 HydrophobicContact CG1-CD1 4.09Å; I170-Y358 HydrophobicContact CG2-CD1 3.91Å; I170-Y358 HydrophobicContact CG2-CE1 3.42Å; I170-Y358 VanDerWaalsContact CG2-CE1 3.42Å
171	W	87.9	Confident	78.6	Confident	3 Å²	3	34 Å²	34	1%	0.011	21%	0.214	C	C	.	.			trans	-65.4	126.8	177.5	-71.7	92.7	0	0	0	111.4	G173 G174 I176 I217 R232 V259 Y358	W171-G173 PolarHBondContact O-N 3.29Å; W171-G174 PolarHBondContact O-N 2.84Å; W171-I176 HydrophobicContact CB-CG1 4.05Å; W171-I176 HydrophobicContact CD2-CB 4.41Å; W171-I176 HydrophobicContact CD2-CG1 3.96Å; W171-I176 HydrophobicContact CD2-CG2 4.22Å; W171-I176 HydrophobicContact CE3-CG2 4.47Å; W171-I176 HydrophobicContact CG-CD1 4.15Å; W171-I176 HydrophobicContact CG-CG1 3.7Å; W171-I176 HydrophobicContact CH2-CG2 4.45Å; W171-I176 HydrophobicContact CZ2-CG2 4.18Å; W171-I217 HydrophobicContact CH2-CG2 4.12Å; W171-I217 HydrophobicContact CZ2-CG2 3.88Å; W171-R232 HydrophobicContact CD2-CB 3.81Å; W171-R232 HydrophobicContact CD2-CG 4.16Å; W171-R232 HydrophobicContact CE3-CB 4.27Å; W171-R232 HydrophobicContact CE3-CG 4.11Å; W171-R232 HydrophobicContact CG-CB 4.17Å; W171-R232 HydrophobicContact CH2-CB 4.39Å; W171-R232 HydrophobicContact CH2-CG 4.11Å; W171-R232 HydrophobicContact CZ2-CB 3.95Å; W171-R232 HydrophobicContact CZ2-CG 4.18Å; W171-R232 HydrophobicContact CZ3-CG 4.08Å; W171-V259 HydrophobicContact CZ2-CG1 4.26Å; W171-V259 PolarHBondContact NE1-O 2.73Å; W171-Y358 HydrophobicContact CB-CE1 4.02Å; W171-Y358 PolarHBondContact N-OH 2.8Å; W171-Y358 WeakPolarHBondContact O-CE1 3.48Å
172	P	81.1	Confident	78.9	Confident	91 Å²	91	34.1 Å²	34.1	59%	0.591	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-56.7	109.3	-174.9	-29.1	36.5	0	0	0	113.4	G174	P172-G174 VanDerWaalsContact C-N 3.29Å; P172-G174 PolarHBondContact O-N 3.1Å
173	G	73.9	Confident	79.5	Confident	76 Å²	76	40.9 Å²	40.9	78%	0.784	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	73.4	13.6	-178.7	0	0	0	0	0	115.3	W171 V175	W171-G173 PolarHBondContact O-N 3.29Å; G173-V175 VanDerWaalsContact C-N 3.33Å
174	G	79.6	Confident	79.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	78	13.4	-178.8	0	0	0	0	0	114.8	W171 P172 V205 T206	W171-G174 PolarHBondContact O-N 2.84Å; P172-G174 VanDerWaalsContact C-N 3.29Å; P172-G174 PolarHBondContact O-N 3.1Å; G174-V205 CarbonylContact O-C 3.36Å; G174-V205 WeakPolarHBondContact O-CA 3.3Å; G174-T206 PolarHBondContact O-N 3.33Å; G174-T206 PolarHBondContact O-OG1 3.47Å
175	V	82.3	Confident	79.9	Confident	27 Å²	27	44.7 Å²	44.7	16%	0.164	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.9	-179.9	-172.7	0	0	0	0	110.1	G173 I208 Y417	G173-V175 VanDerWaalsContact C-N 3.33Å; V175-I208 HydrophobicContact CG1-CD1 3.48Å; V175-I208 VanDerWaalsContact CG1-CD1 3.48Å; V175-I208 HydrophobicContact CG1-CG1 4Å; V175-I208 HydrophobicContact CG1-CG2 4.48Å; V175-Y417 HydrophobicContact CG1-CE2 4.22Å; V175-Y417 HydrophobicContact CG2-CE2 3.84Å
176	I	90.1	Very high	79.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	97.4	-177.9	-50.2	-175.5	0	0	0	108.8	W171 V205 T206 F207 I208 I217 V259 I260	W171-I176 HydrophobicContact CB-CG1 4.05Å; W171-I176 HydrophobicContact CD2-CB 4.41Å; W171-I176 HydrophobicContact CD2-CG1 3.96Å; W171-I176 HydrophobicContact CD2-CG2 4.22Å; W171-I176 HydrophobicContact CE3-CG2 4.47Å; W171-I176 HydrophobicContact CG-CD1 4.15Å; W171-I176 HydrophobicContact CG-CG1 3.7Å; W171-I176 HydrophobicContact CH2-CG2 4.45Å; W171-I176 HydrophobicContact CZ2-CG2 4.18Å; I176-V205 HydrophobicContact CD1-CG1 3.51Å; I176-V205 HydrophobicContact CG1-CG1 4.04Å; I176-T206 PolarHBondContact N-O 3.41Å; I176-F207 HydrophobicContact CB-CD1 3.78Å; I176-F207 HydrophobicContact CB-CE1 3.85Å; I176-F207 HydrophobicContact CD1-CE1 3.86Å; I176-F207 HydrophobicContact CD1-CZ 3.97Å; I176-F207 HydrophobicContact CG1-CE1 4.37Å; I176-F207 HydrophobicContact CG2-CD1 3.95Å; I176-F207 HydrophobicContact CG2-CE1 3.81Å; I176-F207 WeakPolarHBondContact O-CA 3.2Å; I176-I208 PolarHBondContact O-N 3.09Å; I176-I217 HydrophobicContact CG2-CD1 4.13Å; I176-I217 HydrophobicContact CG2-CG1 4.38Å; I176-I217 HydrophobicContact CG2-CG2 4.15Å; I176-V259 HydrophobicContact CD1-CG1 4.25Å; I176-V259 HydrophobicContact CG2-CG1 3.88Å; I176-I260 HydrophobicContact CD1-CG1 3.84Å
177	P	88.4	Confident	78.7	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.045	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.2	176.2	-11	26.6	0	0	0	110.5	I208 K210 E213 Y216 I217	P177-I208 CarbonylContact C-O 3.55Å; P177-I208 WeakPolarHBondContact CA-O 3.13Å; P177-I208 HydrophobicContact CB-CD1 4.35Å; P177-I208 HydrophobicContact CB-CG1 3.96Å; P177-I208 HydrophobicContact CG-CD1 4.26Å; P177-I208 HydrophobicContact CG-CG1 4.26Å; P177-K210 HydrophobicContact CB-CB 4.03Å; P177-K210 HydrophobicContact CB-CG 4.21Å; P177-E213 HydrophobicContact CB-CB 4.2Å; P177-E213 HydrophobicContact CB-CG 4.23Å; P177-E213 HydrophobicContact CG-CB 3.75Å; P177-E213 HydrophobicContact CG-CG 3.65Å; P177-Y216 CarbonylContact O-C 3.48Å; P177-Y216 VanDerWaalsContact O-CA 3.32Å; P177-Y216 WeakPolarHBondContact O-CA 3.29Å; P177-Y216 WeakPolarHBondContact O-CB 3.25Å; P177-I217 PolarHBondContact O-N 2.88Å
178	Y	90.9	Very high	78.6	Confident	22 Å²	22	43.5 Å²	43.5	9%	0.086	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.3	-176.6	74.9	-93.5	0	0	0	114.1	I180 K193 M196 F207 I208 E209 K210 I217	Y178-I180 HydrophobicContact CD2-CD1 4.44Å; Y178-I180 HydrophobicContact CD2-CG1 4Å; Y178-I180 HydrophobicContact CE2-CD1 4.03Å; Y178-I180 HydrophobicContact CE2-CG1 4.05Å; Y178-K193 WeakPolarHBondContact OH-CE 3.3Å; Y178-M196 HydrophobicContact CD1-CE 4.05Å; Y178-M196 HydrophobicContact CD1-SD 3.67Å; Y178-M196 HydrophobicContact CD2-CE 3.96Å; Y178-M196 HydrophobicContact CD2-SD 4.3Å; Y178-M196 HydrophobicContact CE1-CE 3.75Å; Y178-M196 HydrophobicContact CE1-SD 3.86Å; Y178-M196 HydrophobicContact CE2-CE 3.64Å; Y178-M196 HydrophobicContact CE2-SD 4.46Å; Y178-M196 HydrophobicContact CG-CE 4.15Å; Y178-M196 HydrophobicContact CG-SD 3.91Å; Y178-F207 HydrophobicContact CD1-CB 3.92Å; Y178-F207 HydrophobicContact CE1-CB 3.97Å; Y178-I208 VanDerWaalsContact CD1-C 3.44Å; Y178-I208 WeakPolarHBondContact CD1-O 3.45Å; Y178-I208 VanDerWaalsContact CE1-C 3.42Å; Y178-I208 WeakPolarHBondContact CE1-O 3.05Å; Y178-I208 PolarHBondContact N-O 3.44Å; Y178-E209 HydrophobicContact CE1-CG 4.16Å; Y178-E209 HydrophobicContact CE2-CG 3.84Å; Y178-E209 WeakPolarHBondContact OH-CG 3.48Å; Y178-K210 WeakPolarHBondContact O-CB 3.49Å; Y178-K210 PolarHBondContact O-N 3.21Å; Y178-I217 CarbonylContact C-O 3.6Å; Y178-I217 WeakPolarHBondContact CA-O 3.48Å; Y178-I217 VanDerWaalsContact CB-CG1 3.47Å
179	V	88.1	Confident	78.5	Confident	55 Å²	55	41.2 Å²	41.2	33%	0.333	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.9	168.4	178.5	0	0	0	0	108.6	K210 Y216 I217 V218 F219	V179-K210 HydrophobicContact CG2-CB 3.88Å; V179-K210 HydrophobicContact CG2-CD 4.18Å; V179-Y216 HydrophobicContact CG2-CD2 3.81Å; V179-Y216 HydrophobicContact CG2-CE2 3.8Å; V179-I217 PolarHBondContact N-O 2.87Å; V179-V218 HydrophobicContact CB-CG2 4.48Å; V179-V218 WeakPolarHBondContact O-CA 2.98Å; V179-F219 PolarHBondContact O-N 3.14Å
180	I	83.4	Confident	77.5	Confident	23 Å²	23	41.2 Å²	41.2	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	110.4	173.7	-52.5	171.7	0	0	0	109.7	Y178 F184 R189 F192 F219	Y178-I180 HydrophobicContact CD2-CD1 4.44Å; Y178-I180 HydrophobicContact CD2-CG1 4Å; Y178-I180 HydrophobicContact CE2-CD1 4.03Å; Y178-I180 HydrophobicContact CE2-CG1 4.05Å; I180-F184 HydrophobicContact CG2-CB 4.25Å; I180-F184 HydrophobicContact CG2-CD2 3.87Å; I180-F184 HydrophobicContact CG2-CG 4.37Å; I180-R189 HydrophobicContact CD1-CB 4.47Å; I180-R189 HydrophobicContact CD1-CG 4.5Å; I180-R189 HydrophobicContact CG2-CG 3.94Å; I180-R189 PolarHBondContact O-NH1 3.2Å; I180-F192 HydrophobicContact CD1-CB 4.29Å; I180-F192 HydrophobicContact CD1-CD2 4.29Å; I180-F192 HydrophobicContact CG1-CD2 4.45Å; I180-F192 HydrophobicContact CG2-CD2 3.89Å; I180-F192 HydrophobicContact CG2-CE2 4.1Å; I180-F219 HydrophobicContact CG1-CD2 3.85Å; I180-F219 HydrophobicContact CG1-CE2 4.42Å; I180-F219 HydrophobicContact CG1-CG 4.41Å; I180-F219 HydrophobicContact CG2-CB 4.17Å
181	G	76.2	Confident	77.1	Confident	22 Å²	22	40.2 Å²	40.2	23%	0.227	27%	0.268	C	S	.	.			trans	-55.6	157.3	-175.6	0	0	0	0	0	114.2	N183 R189 F219	G181-N183 VanDerWaalsContact C-N 3.29Å; G181-N183 PolarHBondContact O-N 2.96Å; G181-R189 PolarHBondContact O-NH2 2.9Å; G181-F219 PolarHBondContact N-O 2.9Å; G181-F219 VanDerWaalsContact N-O 3.1Å
182	G	71.3	Confident	76.9	Confident	64 Å²	64	40.1 Å²	40.1	66%	0.66	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.4	-171.2	0	0	0	0	0	114.9	F184 R189	G182-F184 PolarHBondContact O-N 2.97Å; G182-R189 VanDerWaalsContact C-NH2 3.32Å; G182-R189 PolarHBondContact O-NH2 3.11Å
183	N	72.1	Confident	76.8	Confident	143 Å²	143	37.7 Å²	37.7	77%	0.765	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	6.7	-167.2	-56.9	17.2	0	0	0	116	G181	G181-N183 VanDerWaalsContact C-N 3.29Å; G181-N183 PolarHBondContact O-N 2.96Å
184	F	73.6	Confident	76.8	Confident	12 Å²	12	36.9 Å²	36.9	5%	0.053	22%	0.224	C	C	.	.			trans	-101.1	140.7	178.3	-68	-72.2	0	0	0	113	I180 G182 Q188 R189 F192 F219 T220 I242	I180-F184 HydrophobicContact CG2-CB 4.25Å; I180-F184 HydrophobicContact CG2-CD2 3.87Å; I180-F184 HydrophobicContact CG2-CG 4.37Å; G182-F184 PolarHBondContact O-N 2.97Å; F184-Q188 HydrophobicContact CB-CB 4.31Å; F184-Q188 HydrophobicContact CD1-CB 4.32Å; F184-R189 HydrophobicContact CB-CG 4.28Å; F184-R189 PolarHBondContact O-NE 3.32Å; F184-R189 PolarHBondContact O-NH2 2.84Å; F184-F192 HydrophobicContact CB-CE2 4.4Å; F184-F192 AromaticContact CD1-CE2 3.75Å; F184-F192 HydrophobicContact CD1-CE2 3.75Å; F184-F192 AromaticContact CD1-CZ 3.68Å; F184-F192 HydrophobicContact CD1-CZ 3.68Å; F184-F192 AromaticContact CD2-CE2 3.93Å; F184-F192 HydrophobicContact CD2-CE2 3.93Å; F184-F192 AromaticContact CE1-CE2 3.88Å; F184-F192 HydrophobicContact CE1-CE2 3.88Å; F184-F192 AromaticContact CE1-CZ 3.61Å; F184-F192 HydrophobicContact CE1-CZ 3.61Å; F184-F192 HydrophobicContact CE2-CE2 4.05Å; F184-F192 AromaticContact CG-CE2 3.76Å; F184-F192 HydrophobicContact CG-CE2 3.76Å; F184-F192 HydrophobicContact CG-CZ 4.19Å; F184-F192 HydrophobicContact CZ-CE2 4.01Å; F184-F192 HydrophobicContact CZ-CZ 4.05Å; F184-F219 HydrophobicContact CE2-CB 4.06Å; F184-T220 VanDerWaalsContact CZ-C 3.41Å; F184-I242 HydrophobicContact CE1-CB 4.13Å; F184-I242 HydrophobicContact CE1-CG2 4.43Å; F184-I242 HydrophobicContact CZ-CB 4.09Å
185	T	71.1	Confident	77	Confident	70 Å²	70	36.9 Å²	36.9	43%	0.429	22%	0.224	S	C	.	.			trans	-70.4	166.8	178.6	65.6	0	0	0	0	112.7	S187 Q188 R189	T185-S187 PolarHBondContact O-N 2.82Å; T185-S187 PolarHBondContact OG1-OG 2.9Å; T185-Q188 VanDerWaalsContact N-OE1 3.08Å; T185-Q188 PolarHBondContact O-N 2.89Å; T185-Q188 WeakPolarHBondContact OG1-CB 3.39Å; T185-Q188 VanDerWaalsContact OG1-CG 3.3Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.44Å; T185-Q188 PolarHBondContact OG1-N 3.4Å; T185-Q188 PolarHBondContact OG1-OE1 2.95Å; T185-R189 WeakPolarHBondContact O-CB 3.5Å; T185-R189 VanDerWaalsContact O-CG 3.23Å; T185-R189 WeakPolarHBondContact O-CG 3.45Å; T185-R189 PolarHBondContact O-N 3.35Å
186	G	56.4	Low	77.1	Confident	18 Å²	18	35.8 Å²	35.8	19%	0.186	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-44.3	175.7	0	0	0	0	0	113.3	R189 A190	G186-R189 PolarHBondContact O-N 2.79Å; G186-A190 WeakPolarHBondContact O-CB 3.31Å; G186-A190 PolarHBondContact O-N 2.98Å
187	S	61.7	Low	76.5	Confident	82 Å²	82	38.1 Å²	38.1	57%	0.573	23%	0.226	S	C	*	.	H	α-helix	trans	-65.3	-43.3	176.7	52.1	0	0	0	0	112.8	T185 R189 A190 M191	T185-S187 PolarHBondContact O-N 2.82Å; T185-S187 PolarHBondContact OG1-OG 2.9Å; S187-R189 PolarHBondContact O-N 2.8Å; S187-A190 PolarHBondContact O-N 3.18Å; S187-M191 WeakPolarHBondContact O-CB 3.33Å; S187-M191 PolarHBondContact O-N 3.41Å
188	Q	72.6	Confident	76	Confident	36 Å²	36	39.4 Å²	39.4	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-43.1	174.9	-72.9	167.6	-24.2	0	0	111.4	F184 T185 A190 M191 F192 D247	F184-Q188 HydrophobicContact CB-CB 4.31Å; F184-Q188 HydrophobicContact CD1-CB 4.32Å; T185-Q188 VanDerWaalsContact N-OE1 3.08Å; T185-Q188 PolarHBondContact O-N 2.89Å; T185-Q188 WeakPolarHBondContact OG1-CB 3.39Å; T185-Q188 VanDerWaalsContact OG1-CG 3.3Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.44Å; T185-Q188 PolarHBondContact OG1-N 3.4Å; T185-Q188 PolarHBondContact OG1-OE1 2.95Å; Q188-A190 VanDerWaalsContact C-N 3.35Å; Q188-A190 PolarHBondContact O-N 2.95Å; Q188-M191 PolarHBondContact O-N 3.22Å; Q188-F192 HydrophobicContact CB-CZ 4.34Å; Q188-F192 WeakPolarHBondContact O-CD1 3.31Å; Q188-F192 WeakPolarHBondContact O-CG 3.24Å; Q188-F192 PolarHBondContact O-N 3.47Å; Q188-D247 HydrophobicContact CG-CB 4.25Å; Q188-D247 PolarHBondContact NE2-OD2 2.54Å
189	R	76.5	Confident	75.7	Confident	56 Å²	56	38.4 Å²	38.4	21%	0.211	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-42.8	174	-71.6	167.4	-173.1	-72.3	-8.4	112.3	I180 G181 G182 F184 T185 G186 S187 K193	I180-R189 HydrophobicContact CD1-CB 4.47Å; I180-R189 HydrophobicContact CD1-CG 4.5Å; I180-R189 HydrophobicContact CG2-CG 3.94Å; I180-R189 PolarHBondContact O-NH1 3.2Å; G181-R189 PolarHBondContact O-NH2 2.9Å; G182-R189 VanDerWaalsContact C-NH2 3.32Å; G182-R189 PolarHBondContact O-NH2 3.11Å; F184-R189 HydrophobicContact CB-CG 4.28Å; F184-R189 PolarHBondContact O-NE 3.32Å; F184-R189 PolarHBondContact O-NH2 2.84Å; T185-R189 WeakPolarHBondContact O-CB 3.5Å; T185-R189 VanDerWaalsContact O-CG 3.23Å; T185-R189 WeakPolarHBondContact O-CG 3.45Å; T185-R189 PolarHBondContact O-N 3.35Å; G186-R189 PolarHBondContact O-N 2.79Å; S187-R189 PolarHBondContact O-N 2.8Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 2.83Å
190	A	63.1	Low	75.3	Confident	11 Å²	11	36.4 Å²	36.4	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-45.4	177.8	0	0	0	0	0	111.8	G186 S187 Q188 F192 K193 Q194 Y482 P483	G186-A190 WeakPolarHBondContact O-CB 3.31Å; G186-A190 PolarHBondContact O-N 2.98Å; S187-A190 PolarHBondContact O-N 3.18Å; Q188-A190 VanDerWaalsContact C-N 3.35Å; Q188-A190 PolarHBondContact O-N 2.95Å; A190-F192 PolarHBondContact O-N 2.98Å; A190-K193 CarbonylContact O-C 3.53Å; A190-K193 WeakPolarHBondContact O-CB 3.4Å; A190-K193 PolarHBondContact O-N 3.21Å; A190-K193 VanDerWaalsContact O-N 3.14Å; A190-Q194 PolarHBondContact O-N 3.22Å; A190-Y482 HydrophobicContact CB-CE1 4.06Å; A190-Y482 VanDerWaalsContact CB-OH 3.23Å; A190-Y482 WeakPolarHBondContact CB-OH 2.85Å; A190-P483 HydrophobicContact CB-CB 4.41Å
191	M	78.4	Confident	74.6	Confident	27 Å²	27	42.2 Å²	42.2	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-34.9	177.5	178.4	-88.2	-61.2	0	0	112.5	S187 Q188 Q194 A195 D247 F249 V252	S187-M191 WeakPolarHBondContact O-CB 3.33Å; S187-M191 PolarHBondContact O-N 3.41Å; Q188-M191 PolarHBondContact O-N 3.22Å; M191-Q194 PolarHBondContact O-N 2.78Å; M191-A195 WeakPolarHBondContact O-CB 3Å; M191-A195 PolarHBondContact O-N 3.46Å; M191-D247 VanDerWaalsContact CE-C 3.47Å; M191-D247 HydrophobicContact CE-CB 3.89Å; M191-D247 WeakPolarHBondContact CE-O 3.27Å; M191-F249 HydrophobicContact CG-CB 4.42Å; M191-V252 HydrophobicContact CE-CG2 4.09Å; M191-V252 HydrophobicContact SD-CB 4.17Å; M191-V252 HydrophobicContact SD-CG2 3.58Å; M191-V252 VanDerWaalsContact SD-CG2 3.58Å
192	F	85.1	Confident	74.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-44.3	169.6	-61.2	-9.7	0	0	0	111.6	I180 F184 Q188 A190 Q194 A195 M196 F219 I242 V252	I180-F192 HydrophobicContact CD1-CB 4.29Å; I180-F192 HydrophobicContact CD1-CD2 4.29Å; I180-F192 HydrophobicContact CG1-CD2 4.45Å; I180-F192 HydrophobicContact CG2-CD2 3.89Å; I180-F192 HydrophobicContact CG2-CE2 4.1Å; F184-F192 HydrophobicContact CB-CE2 4.4Å; F184-F192 AromaticContact CD1-CE2 3.75Å; F184-F192 HydrophobicContact CD1-CE2 3.75Å; F184-F192 AromaticContact CD1-CZ 3.68Å; F184-F192 HydrophobicContact CD1-CZ 3.68Å; F184-F192 AromaticContact CD2-CE2 3.93Å; F184-F192 HydrophobicContact CD2-CE2 3.93Å; F184-F192 AromaticContact CE1-CE2 3.88Å; F184-F192 HydrophobicContact CE1-CE2 3.88Å; F184-F192 AromaticContact CE1-CZ 3.61Å; F184-F192 HydrophobicContact CE1-CZ 3.61Å; F184-F192 HydrophobicContact CE2-CE2 4.05Å; F184-F192 AromaticContact CG-CE2 3.76Å; F184-F192 HydrophobicContact CG-CE2 3.76Å; F184-F192 HydrophobicContact CG-CZ 4.19Å; F184-F192 HydrophobicContact CZ-CE2 4.01Å; F184-F192 HydrophobicContact CZ-CZ 4.05Å; Q188-F192 HydrophobicContact CB-CZ 4.34Å; Q188-F192 WeakPolarHBondContact O-CD1 3.31Å; Q188-F192 WeakPolarHBondContact O-CG 3.24Å; Q188-F192 PolarHBondContact O-N 3.47Å; A190-F192 PolarHBondContact O-N 2.98Å; F192-Q194 VanDerWaalsContact C-N 3.32Å; F192-Q194 PolarHBondContact O-N 2.88Å; F192-A195 PolarHBondContact O-N 2.86Å; F192-M196 WeakPolarHBondContact O-CG 3.48Å; F192-M196 PolarHBondContact O-N 3.31Å; F192-F219 HydrophobicContact CB-CE1 4.11Å; F192-F219 HydrophobicContact CB-CZ 4.21Å; F192-F219 HydrophobicContact CD1-CD1 4.48Å; F192-F219 HydrophobicContact CD1-CE1 4.37Å; F192-F219 HydrophobicContact CD2-CB 4.19Å; F192-F219 AromaticContact CD2-CD1 3.55Å; F192-F219 HydrophobicContact CD2-CD1 3.55Å; F192-F219 HydrophobicContact CD2-CD2 4.5Å; F192-F219 AromaticContact CD2-CE1 3.97Å; F192-F219 HydrophobicContact CD2-CE1 3.97Å; F192-F219 AromaticContact CD2-CG 3.85Å; F192-F219 HydrophobicContact CD2-CG 3.85Å; F192-F219 HydrophobicContact CE2-CB 4.06Å; F192-F219 AromaticContact CE2-CD1 3.78Å; F192-F219 HydrophobicContact CE2-CD1 3.78Å; F192-F219 HydrophobicContact CE2-CG 4.12Å; F192-F219 AromaticContact CG-CD1 3.95Å; F192-F219 HydrophobicContact CG-CD1 3.95Å; F192-F219 AromaticContact CG-CE1 3.9Å; F192-F219 HydrophobicContact CG-CE1 3.9Å; F192-F219 HydrophobicContact CG-CZ 4.47Å; F192-F219 HydrophobicContact CZ-CD1 4.34Å; F192-I242 HydrophobicContact CE1-CB 4.45Å; F192-I242 HydrophobicContact CE1-CG1 4.07Å; F192-I242 HydrophobicContact CE1-CG2 4Å; F192-I242 HydrophobicContact CZ-CB 4.05Å; F192-I242 HydrophobicContact CZ-CG1 3.85Å; F192-I242 HydrophobicContact CZ-CG2 3.92Å; F192-V252 HydrophobicContact CD1-CG1 3.95Å; F192-V252 HydrophobicContact CD1-CG2 3.92Å; F192-V252 HydrophobicContact CE1-CG2 3.93Å
193	K	77.3	Confident	75.1	Confident	40 Å²	40	41.2 Å²	41.2	17%	0.174	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-37.2	174.5	-73.5	-174.2	175.5	-168.5	0	112	Y178 R189 A190 M196 R197 E209	Y178-K193 WeakPolarHBondContact OH-CE 3.3Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 2.83Å; A190-K193 CarbonylContact O-C 3.53Å; A190-K193 WeakPolarHBondContact O-CB 3.4Å; A190-K193 PolarHBondContact O-N 3.21Å; A190-K193 VanDerWaalsContact O-N 3.14Å; K193-M196 HydrophobicContact CG-CE 4.12Å; K193-M196 PolarHBondContact O-N 3.37Å; K193-R197 WeakPolarHBondContact O-CG 3.26Å; K193-R197 PolarHBondContact O-N 3.1Å; K193-E209 WeakPolarHBondContact CE-OE1 3.17Å; K193-E209 IonicContact NZ-OE1 3.91Å; K193-E209 PolarHBondContact NZ-OE1 3.06Å
194	Q	74.6	Confident	75.1	Confident	60 Å²	60	36.2 Å²	36.2	28%	0.28	19%	0.187	S	C	.	.	H	α-helix	trans	-67.1	-43.4	174.9	-159	-176.6	35.3	0	0	112.1	A190 M191 F192 M196 R197 H198 F249 P483 D484	A190-Q194 PolarHBondContact O-N 3.22Å; M191-Q194 PolarHBondContact O-N 2.78Å; F192-Q194 VanDerWaalsContact C-N 3.32Å; F192-Q194 PolarHBondContact O-N 2.88Å; Q194-M196 VanDerWaalsContact C-N 3.31Å; Q194-M196 PolarHBondContact O-N 3.19Å; Q194-R197 PolarHBondContact O-N 3.41Å; Q194-H198 WeakPolarHBondContact O-CB 3.29Å; Q194-H198 PolarHBondContact O-N 3.26Å; Q194-F249 HydrophobicContact CB-CE2 4.38Å; Q194-F249 HydrophobicContact CG-CD2 4.49Å; Q194-F249 HydrophobicContact CG-CE2 4.08Å; Q194-P483 HydrophobicContact CB-CG 3.99Å; Q194-P483 HydrophobicContact CG-CG 4.14Å; Q194-D484 PolarHBondContact NE2-OD1 2.79Å
195	A	84.1	Confident	75.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-35.6	176.2	0	0	0	0	0	112.5	M191 F192 F249 V252 V253 L256	M191-A195 WeakPolarHBondContact O-CB 3Å; M191-A195 PolarHBondContact O-N 3.46Å; F192-A195 PolarHBondContact O-N 2.86Å; A195-F249 HydrophobicContact CB-CD2 4.29Å; A195-F249 HydrophobicContact CB-CE2 4.36Å; A195-V252 HydrophobicContact CB-CB 3.91Å; A195-V252 HydrophobicContact CB-CG1 3.66Å; A195-V253 HydrophobicContact CB-CG2 3.71Å; A195-L256 HydrophobicContact CB-CD1 3.93Å
196	M	85.3	Confident	76	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-51.5	170.5	-72.2	-176.4	-67	0	0	111.5	Y178 F192 K193 Q194 H198 W199 E200 F207 F219 L256	Y178-M196 HydrophobicContact CD1-CE 4.05Å; Y178-M196 HydrophobicContact CD1-SD 3.67Å; Y178-M196 HydrophobicContact CD2-CE 3.96Å; Y178-M196 HydrophobicContact CD2-SD 4.3Å; Y178-M196 HydrophobicContact CE1-CE 3.75Å; Y178-M196 HydrophobicContact CE1-SD 3.86Å; Y178-M196 HydrophobicContact CE2-CE 3.64Å; Y178-M196 HydrophobicContact CE2-SD 4.46Å; Y178-M196 HydrophobicContact CG-CE 4.15Å; Y178-M196 HydrophobicContact CG-SD 3.91Å; F192-M196 WeakPolarHBondContact O-CG 3.48Å; F192-M196 PolarHBondContact O-N 3.31Å; K193-M196 HydrophobicContact CG-CE 4.12Å; K193-M196 PolarHBondContact O-N 3.37Å; Q194-M196 VanDerWaalsContact C-N 3.31Å; Q194-M196 PolarHBondContact O-N 3.19Å; M196-H198 PolarHBondContact O-N 3.34Å; M196-W199 PolarHBondContact O-N 3.04Å; M196-E200 WeakPolarHBondContact O-CG 3.16Å; M196-E200 PolarHBondContact O-N 3.22Å; M196-E200 VanDerWaalsContact O-N 3.09Å; M196-F207 HydrophobicContact CB-CB 4.07Å; M196-F207 HydrophobicContact CB-CD1 4.33Å; M196-F207 HydrophobicContact CB-CD2 3.63Å; M196-F207 HydrophobicContact CB-CE2 4.11Å; M196-F207 HydrophobicContact CB-CG 3.75Å; M196-F207 HydrophobicContact CG-CB 4.22Å; M196-F207 HydrophobicContact CG-CD1 3.74Å; M196-F207 HydrophobicContact CG-CD2 3.91Å; M196-F207 HydrophobicContact CG-CE1 4.01Å; M196-F207 HydrophobicContact CG-CE2 4.17Å; M196-F207 HydrophobicContact CG-CG 3.68Å; M196-F207 HydrophobicContact CG-CZ 4.21Å; M196-F207 HydrophobicContact SD-CB 3.77Å; M196-F207 HydrophobicContact SD-CD1 3.49Å; M196-F207 WeakPolarHBondContact SD-CD1 2.85Å; M196-F207 HydrophobicContact SD-CD2 4.49Å; M196-F207 HydrophobicContact SD-CE1 4.18Å; M196-F207 HydrophobicContact SD-CG 3.67Å; M196-F219 HydrophobicContact CE-CE2 4.29Å; M196-F219 HydrophobicContact CE-CZ 4.48Å; M196-F219 HydrophobicContact SD-CE2 4.09Å; M196-F219 HydrophobicContact SD-CZ 4.21Å; M196-L256 HydrophobicContact CB-CD1 4.45Å; M196-L256 HydrophobicContact CG-CD1 3.64Å; M196-L256 HydrophobicContact CG-CD2 4.19Å
197	R	75.5	Confident	77.3	Confident	49 Å²	49	32.2 Å²	32.2	19%	0.185	16%	0.159	C	C	.	.	H	α-helix	trans	-54.3	-35.1	176.1	-78.3	-174.6	-175.3	176.9	7.8	113.2	K193 Q194 W199 E200 K201 N481 Y482 D484	K193-R197 WeakPolarHBondContact O-CG 3.26Å; K193-R197 PolarHBondContact O-N 3.1Å; Q194-R197 PolarHBondContact O-N 3.41Å; R197-W199 VanDerWaalsContact C-N 3.31Å; R197-W199 PolarHBondContact O-N 2.04Å; R197-E200 PolarHBondContact O-N 2.89Å; R197-E200 VanDerWaalsContact O-N 3.16Å; R197-K201 VanDerWaalsContact O-CB 3.25Å; R197-K201 WeakPolarHBondContact O-CB 3.21Å; R197-K201 PolarHBondContact O-N 2.02Å; R197-N481 PolarHBondContact NH1-O 2.83Å; R197-N481 VanDerWaalsContact NH1-O 3.11Å; R197-Y482 PolarHBondContact NH1-O 2.7Å; R197-Y482 PolarHBondContact NH2-O 3.08Å; R197-D484 IonicContact NH1-OD2 2.73Å
198	H	79.6	Confident	78.1	Confident	34 Å²	34	29.1 Å²	29.1	16%	0.157	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-39.1	178.5	-174.8	70.8	0	0	0	112.5	Q194 M196 F249 L346	Q194-H198 WeakPolarHBondContact O-CB 3.29Å; Q194-H198 PolarHBondContact O-N 3.26Å; M196-H198 PolarHBondContact O-N 3.34Å; H198-F249 HydrophobicContact CB-CE2 4.17Å; H198-F249 HydrophobicContact CB-CZ 3.79Å; H198-F249 AromaticContact CG-CZ 3.67Å; H198-F249 AromaticContact ND1-CZ 3.92Å; H198-L346 WeakPolarHBondContact NE2-CG 3.43Å; H198-L346 PolarHBondContact NE2-N 3.4Å
199	W	84.8	Confident	78.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-71.5	-41.2	170.1	-78.2	104.5	0	0	0	112.5	M196 R197 K201 Q202 T203 F207 V253 I260 F262 L346 A354	M196-W199 PolarHBondContact O-N 3.04Å; R197-W199 VanDerWaalsContact C-N 3.31Å; R197-W199 PolarHBondContact O-N 2.04Å; W199-K201 VanDerWaalsContact C-N 3.34Å; W199-K201 PolarHBondContact O-N 3.18Å; W199-Q202 PolarHBondContact O-N 3.36Å; W199-T203 HydrophobicContact CE3-CG2 4.03Å; W199-T203 HydrophobicContact CZ3-CG2 4.48Å; W199-T203 WeakPolarHBondContact O-CB 3.16Å; W199-T203 PolarHBondContact O-N 2.85Å; W199-T203 PolarHBondContact O-OG1 2.88Å; W199-F207 HydrophobicContact CB-CE2 4.08Å; W199-V253 PolarHBondContact NE1-O 3.04Å; W199-I260 HydrophobicContact CB-CD1 4.14Å; W199-I260 HydrophobicContact CD2-CD1 3.27Å; W199-I260 HydrophobicContact CE3-CD1 3.54Å; W199-I260 HydrophobicContact CG-CD1 3.58Å; W199-I260 HydrophobicContact CH2-CD1 4.28Å; W199-I260 HydrophobicContact CZ2-CD1 4.06Å; W199-I260 HydrophobicContact CZ3-CD1 4.05Å; W199-F262 HydrophobicContact CH2-CD2 4.04Å; W199-F262 AromaticContact CH2-CE2 3.68Å; W199-F262 HydrophobicContact CH2-CE2 3.68Å; W199-F262 HydrophobicContact CH2-CZ 4.43Å; W199-F262 HydrophobicContact CZ3-CE2 4.16Å; W199-L346 HydrophobicContact CD2-CD1 3.55Å; W199-L346 HydrophobicContact CD2-CD2 4.1Å; W199-L346 HydrophobicContact CD2-CG 4.46Å; W199-L346 HydrophobicContact CE3-CD1 3.55Å; W199-L346 HydrophobicContact CE3-CD2 4.22Å; W199-L346 HydrophobicContact CG-CD1 4.04Å; W199-L346 HydrophobicContact CH2-CD1 4.35Å; W199-L346 HydrophobicContact CH2-CD2 3.5Å; W199-L346 HydrophobicContact CZ2-CD1 4.35Å; W199-L346 HydrophobicContact CZ2-CD2 3.33Å; W199-L346 HydrophobicContact CZ2-CG 4.47Å; W199-L346 HydrophobicContact CZ3-CD1 3.96Å; W199-L346 HydrophobicContact CZ3-CD2 3.94Å; W199-A354 HydrophobicContact CZ3-CB 4.05Å
200	E	79.3	Confident	78.4	Confident	13 Å²	13	33.1 Å²	33.1	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-37	178.4	-59.4	-169.8	123.4	0	0	112.8	M196 R197 Q202 V205 T206 F207 R442	M196-E200 WeakPolarHBondContact O-CG 3.16Å; M196-E200 PolarHBondContact O-N 3.22Å; M196-E200 VanDerWaalsContact O-N 3.09Å; R197-E200 PolarHBondContact O-N 2.89Å; R197-E200 VanDerWaalsContact O-N 3.16Å; E200-Q202 VanDerWaalsContact C-N 3.27Å; E200-Q202 PolarHBondContact O-N 2.62Å; E200-V205 WeakPolarHBondContact CA-O 3.33Å; E200-T206 WeakPolarHBondContact OE1-CA 3.36Å; E200-F207 HydrophobicContact CG-CD2 3.92Å; E200-F207 PolarHBondContact OE1-N 3.11Å; E200-R442 IonicContact OE1-CZ 2.66Å; E200-R442 IonicContact OE1-NH1 2.7Å; E200-R442 IonicContact OE1-NH2 2.76Å; E200-R442 PolarHBondContact OE1-NH2 2.82Å; E200-R442 IonicContact OE2-NH2 3.27Å; E200-R442 PolarHBondContact OE2-NH2 3.02Å
201	K	68.8	Low	79	Confident	146 Å²	146	37.3 Å²	37.3	64%	0.635	18%	0.181	S	C	*	.	H	α-helix	trans	-68.7	-24.3	-179.1	-175.7	172.3	-176.6	172	0	113.1	R197 W199	R197-K201 VanDerWaalsContact O-CB 3.25Å; R197-K201 WeakPolarHBondContact O-CB 3.21Å; R197-K201 PolarHBondContact O-N 2.02Å; W199-K201 VanDerWaalsContact C-N 3.34Å; W199-K201 PolarHBondContact O-N 3.18Å
202	Q	77.7	Confident	78.9	Confident	55 Å²	55	42.8 Å²	42.8	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-113.8	-17.6	-172.9	-61.3	-171.6	-31.9	0	0	113.6	W199 E200 I351 R355	W199-Q202 PolarHBondContact O-N 3.36Å; E200-Q202 VanDerWaalsContact C-N 3.27Å; E200-Q202 PolarHBondContact O-N 2.62Å; Q202-I351 HydrophobicContact CB-CD1 4.1Å; Q202-I351 HydrophobicContact CB-CG1 4.01Å; Q202-I351 HydrophobicContact CB-CG2 4.28Å; Q202-I351 HydrophobicContact CG-CD1 4.34Å; Q202-I351 WeakPolarHBondContact O-CG2 3.39Å; Q202-I351 VanDerWaalsContact OE1-CD1 3.25Å; Q202-R355 VanDerWaalsContact O-CZ 3.26Å; Q202-R355 PolarHBondContact O-NE 3.1Å; Q202-R355 PolarHBondContact O-NH2 3.15Å
203	T	80	Confident	78.9	Confident	10 Å²	10	45.1 Å²	45.1	6%	0.061	22%	0.222	C	C	.	.	S	Bend	trans	-125.8	-169.2	-178.1	74.4	0	0	0	0	111.1	W199 V205 A354	W199-T203 HydrophobicContact CE3-CG2 4.03Å; W199-T203 HydrophobicContact CZ3-CG2 4.48Å; W199-T203 WeakPolarHBondContact O-CB 3.16Å; W199-T203 PolarHBondContact O-N 2.85Å; W199-T203 PolarHBondContact O-OG1 2.88Å; T203-V205 WeakPolarHBondContact OG1-CB 3.34Å; T203-V205 PolarHBondContact OG1-N 2.99Å; T203-V205 VanDerWaalsContact OG1-N 3.08Å; T203-A354 HydrophobicContact CG2-CB 3.72Å
204	C	72.9	Confident	79.1	Confident	38 Å²	38	49.5 Å²	49.5	26%	0.257	24%	0.243	S	C	.	.	S	Bend	trans	-107.9	12.5	165.5	70.2	0	0	0	0	112.7	C360	C204-C360 HydrophobicContact CB-CB 3.73Å; C204-C360 WeakPolarHBondContact CB-SG 3.17Å; C204-C360 PolarHBondContact N-SG 3.19Å; C204-C360 WeakPolarHBondContact SG-CA 3.47Å; C204-C360 WeakPolarHBondContact SG-CB 3.25Å; C204-C360 CovalentContact SG-SG 2.03Å; C204-C360 PolarHBondContact SG-SG 2.94Å
205	V	84.2	Confident	79.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.			trans	-68.7	137.4	167.3	-179.7	0	0	0	0	107.7	G174 I176 E200 T203 F207 I260 Y358	G174-V205 CarbonylContact O-C 3.36Å; G174-V205 WeakPolarHBondContact O-CA 3.3Å; I176-V205 HydrophobicContact CD1-CG1 3.51Å; I176-V205 HydrophobicContact CG1-CG1 4.04Å; E200-V205 WeakPolarHBondContact CA-O 3.33Å; T203-V205 WeakPolarHBondContact OG1-CB 3.34Å; T203-V205 PolarHBondContact OG1-N 2.99Å; T203-V205 VanDerWaalsContact OG1-N 3.08Å; V205-F207 HydrophobicContact CG1-CE2 4.06Å; V205-F207 HydrophobicContact CG1-CZ 4.32Å; V205-I260 HydrophobicContact CG1-CD1 4.21Å; V205-I260 HydrophobicContact CG1-CG1 4.11Å; V205-I260 HydrophobicContact CG2-CG2 4.44Å; V205-Y358 HydrophobicContact CG2-CD2 3.64Å; V205-Y358 HydrophobicContact CG2-CE2 3.95Å; V205-Y358 HydrophobicContact CG2-CG 4.1Å
206	T	77.3	Confident	80	Confident	10 Å²	10	48.8 Å²	48.8	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.5	-179.2	49.6	0	0	0	0	110.5	G174 I176 E200 M383	G174-T206 PolarHBondContact O-N 3.33Å; G174-T206 PolarHBondContact O-OG1 3.47Å; I176-T206 PolarHBondContact N-O 3.41Å; E200-T206 WeakPolarHBondContact OE1-CA 3.36Å; T206-M383 HydrophobicContact CG2-CE 3.92Å; T206-M383 HydrophobicContact CG2-SD 4.48Å
207	F	84.9	Confident	80.4	Confident	5 Å²	5	48.7 Å²	48.7	2%	0.022	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140	175.4	-65.6	-90.7	0	0	0	109.1	I176 Y178 M196 W199 E200 V205 I217 L256 I260 R442	I176-F207 HydrophobicContact CB-CD1 3.78Å; I176-F207 HydrophobicContact CB-CE1 3.85Å; I176-F207 HydrophobicContact CD1-CE1 3.86Å; I176-F207 HydrophobicContact CD1-CZ 3.97Å; I176-F207 HydrophobicContact CG1-CE1 4.37Å; I176-F207 HydrophobicContact CG2-CD1 3.95Å; I176-F207 HydrophobicContact CG2-CE1 3.81Å; I176-F207 WeakPolarHBondContact O-CA 3.2Å; Y178-F207 HydrophobicContact CD1-CB 3.92Å; Y178-F207 HydrophobicContact CE1-CB 3.97Å; M196-F207 HydrophobicContact CB-CB 4.07Å; M196-F207 HydrophobicContact CB-CD1 4.33Å; M196-F207 HydrophobicContact CB-CD2 3.63Å; M196-F207 HydrophobicContact CB-CE2 4.11Å; M196-F207 HydrophobicContact CB-CG 3.75Å; M196-F207 HydrophobicContact CG-CB 4.22Å; M196-F207 HydrophobicContact CG-CD1 3.74Å; M196-F207 HydrophobicContact CG-CD2 3.91Å; M196-F207 HydrophobicContact CG-CE1 4.01Å; M196-F207 HydrophobicContact CG-CE2 4.17Å; M196-F207 HydrophobicContact CG-CG 3.68Å; M196-F207 HydrophobicContact CG-CZ 4.21Å; M196-F207 HydrophobicContact SD-CB 3.77Å; M196-F207 HydrophobicContact SD-CD1 3.49Å; M196-F207 WeakPolarHBondContact SD-CD1 2.85Å; M196-F207 HydrophobicContact SD-CD2 4.49Å; M196-F207 HydrophobicContact SD-CE1 4.18Å; M196-F207 HydrophobicContact SD-CG 3.67Å; W199-F207 HydrophobicContact CB-CE2 4.08Å; E200-F207 HydrophobicContact CG-CD2 3.92Å; E200-F207 PolarHBondContact OE1-N 3.11Å; V205-F207 HydrophobicContact CG1-CE2 4.06Å; V205-F207 HydrophobicContact CG1-CZ 4.32Å; F207-I217 HydrophobicContact CE1-CD1 4.39Å; F207-L256 HydrophobicContact CE1-CD2 3.77Å; F207-L256 HydrophobicContact CZ-CD2 3.98Å; F207-I260 HydrophobicContact CZ-CD1 4.23Å; F207-I260 HydrophobicContact CZ-CG1 4.42Å; F207-R442 PolarHBondContact O-NH1 2.94Å
208	I	77.9	Confident	81.2	Confident	18 Å²	18	47.2 Å²	47.2	9%	0.092	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.2	179.9	61.8	177.8	0	0	0	110.6	V175 I176 P177 Y178 K210 E213 Y417	V175-I208 HydrophobicContact CG1-CD1 3.48Å; V175-I208 VanDerWaalsContact CG1-CD1 3.48Å; V175-I208 HydrophobicContact CG1-CG1 4Å; V175-I208 HydrophobicContact CG1-CG2 4.48Å; I176-I208 PolarHBondContact O-N 3.09Å; P177-I208 CarbonylContact C-O 3.55Å; P177-I208 WeakPolarHBondContact CA-O 3.13Å; P177-I208 HydrophobicContact CB-CD1 4.35Å; P177-I208 HydrophobicContact CB-CG1 3.96Å; P177-I208 HydrophobicContact CG-CD1 4.26Å; P177-I208 HydrophobicContact CG-CG1 4.26Å; Y178-I208 VanDerWaalsContact CD1-C 3.44Å; Y178-I208 WeakPolarHBondContact CD1-O 3.45Å; Y178-I208 VanDerWaalsContact CE1-C 3.42Å; Y178-I208 WeakPolarHBondContact CE1-O 3.05Å; Y178-I208 PolarHBondContact N-O 3.44Å; I208-K210 PolarHBondContact O-N 3.2Å; I208-E213 WeakPolarHBondContact CD1-OE1 3.42Å; I208-Y417 HydrophobicContact CG2-CD1 4.34Å; I208-Y417 HydrophobicContact CG2-CE1 3.82Å
209	E	76.9	Confident	81.7	Confident	119 Å²	119	45.6 Å²	45.6	56%	0.556	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67	126.1	168.8	-66.6	-173.4	177.6	0	0	108.4	Y178 K193 T211	Y178-E209 HydrophobicContact CE1-CG 4.16Å; Y178-E209 HydrophobicContact CE2-CG 3.84Å; Y178-E209 WeakPolarHBondContact OH-CG 3.48Å; K193-E209 WeakPolarHBondContact CE-OE1 3.17Å; K193-E209 IonicContact NZ-OE1 3.91Å; K193-E209 PolarHBondContact NZ-OE1 3.06Å; E209-T211 PolarHBondContact O-N 2.9Å
210	K	78	Confident	81.7	Confident	56 Å²	56	46.1 Å²	46.1	24%	0.243	23%	0.231	C	C	.	.			trans	-65.1	126.9	-168.3	178.3	-109.8	-178.9	-62.7	0	112.4	P177 Y178 V179 I208 E213 Y216	P177-K210 HydrophobicContact CB-CB 4.03Å; P177-K210 HydrophobicContact CB-CG 4.21Å; Y178-K210 WeakPolarHBondContact O-CB 3.49Å; Y178-K210 PolarHBondContact O-N 3.21Å; V179-K210 HydrophobicContact CG2-CB 3.88Å; V179-K210 HydrophobicContact CG2-CD 4.18Å; I208-K210 PolarHBondContact O-N 3.2Å; K210-E213 VanDerWaalsContact CE-O 3.24Å; K210-E213 WeakPolarHBondContact CE-O 3.49Å; K210-E213 PolarHBondContact NZ-O 2.71Å; K210-Y216 HydrophobicContact CB-CD2 4.45Å; K210-Y216 HydrophobicContact CD-CD1 4.13Å; K210-Y216 HydrophobicContact CD-CD2 4.01Å; K210-Y216 HydrophobicContact CD-CE1 4.19Å; K210-Y216 HydrophobicContact CD-CE2 4.04Å; K210-Y216 HydrophobicContact CD-CG 4.05Å; K210-Y216 VanDerWaalsContact CE-CE1 3.48Å; K210-Y216 HydrophobicContact CG-CD1 4.15Å; K210-Y216 HydrophobicContact CG-CD2 4.05Å; K210-Y216 HydrophobicContact CG-CG 3.8Å
211	T	76.3	Confident	81.9	Confident	100 Å²	100	50.8 Å²	50.8	61%	0.613	25%	0.249	S	C	*	.	S	Bend	trans	-100.1	-90.8	171.7	52.4	0	0	0	0	110.4	E209 E213	E209-T211 PolarHBondContact O-N 2.9Å; T211-E213 PolarHBondContact N-OE2 3.26Å
212	D	77.1	Confident	82.3	Confident	142 Å²	142	46.9 Å²	46.9	76%	0.759	23%	0.23	S	C	*	.	S	Bend	trans	-108.3	-2.4	-171.6	56.2	-54.8	0	0	0	112.8	E214	D212-E214 PolarHBondContact O-N 2.87Å
213	E	84.1	Confident	81.9	Confident	49 Å²	49	50.3 Å²	50.3	23%	0.229	26%	0.258	C	S	.	.			trans	-66.2	132.9	-176.1	-54.9	87.9	166.3	0	0	113	P177 I208 K210 T211	P177-E213 HydrophobicContact CB-CB 4.2Å; P177-E213 HydrophobicContact CB-CG 4.23Å; P177-E213 HydrophobicContact CG-CB 3.75Å; P177-E213 HydrophobicContact CG-CG 3.65Å; I208-E213 WeakPolarHBondContact CD1-OE1 3.42Å; K210-E213 VanDerWaalsContact CE-O 3.24Å; K210-E213 WeakPolarHBondContact CE-O 3.49Å; K210-E213 PolarHBondContact NZ-O 2.71Å; T211-E213 PolarHBondContact N-OE2 3.26Å
214	E	81.5	Confident	81.3	Confident	132 Å²	132	53 Å²	53	62%	0.617	28%	0.276	S	S	*	.	S	Bend	trans	-70.1	-39.9	179.9	-175.2	-168.2	173.7	0	0	112.8	D212 G236	D212-E214 PolarHBondContact O-N 2.87Å; E214-G236 CarbonylContact O-C 3.48Å; E214-G236 WeakPolarHBondContact O-CA 3.43Å
215	S	86.9	Confident	81.5	Confident	11 Å²	11	52.3 Å²	52.3	8%	0.077	28%	0.275	C	S	.	.	S	Bend	trans	-104.3	121.8	-179	-47	0	0	0	0	110.1	R232	S215-R232 PolarHBondContact OG-NE 2.96Å; S215-R232 PolarHBondContact OG-NH2 2.83Å
216	Y	91	Very high	81.4	Confident	34 Å²	34	54.1 Å²	54.1	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160	-176.2	62.2	-79.3	0	0	0	111.7	P177 V179 K210 V218 P237 Q238	P177-Y216 CarbonylContact O-C 3.48Å; P177-Y216 VanDerWaalsContact O-CA 3.32Å; P177-Y216 WeakPolarHBondContact O-CA 3.29Å; P177-Y216 WeakPolarHBondContact O-CB 3.25Å; V179-Y216 HydrophobicContact CG2-CD2 3.81Å; V179-Y216 HydrophobicContact CG2-CE2 3.8Å; K210-Y216 HydrophobicContact CB-CD2 4.45Å; K210-Y216 HydrophobicContact CD-CD1 4.13Å; K210-Y216 HydrophobicContact CD-CD2 4.01Å; K210-Y216 HydrophobicContact CD-CE1 4.19Å; K210-Y216 HydrophobicContact CD-CE2 4.04Å; K210-Y216 HydrophobicContact CD-CG 4.05Å; K210-Y216 VanDerWaalsContact CE-CE1 3.48Å; K210-Y216 HydrophobicContact CG-CD1 4.15Å; K210-Y216 HydrophobicContact CG-CD2 4.05Å; K210-Y216 HydrophobicContact CG-CG 3.8Å; Y216-V218 HydrophobicContact CD2-CG2 3.82Å; Y216-V218 HydrophobicContact CE2-CG2 3.56Å; Y216-P237 HydrophobicContact CD1-CB 4.36Å; Y216-P237 HydrophobicContact CD2-CB 4.28Å; Y216-P237 HydrophobicContact CE1-CB 3.86Å; Y216-P237 HydrophobicContact CE1-CG 4.14Å; Y216-P237 HydrophobicContact CE2-CB 3.8Å; Y216-P237 WeakPolarHBondContact O-CA 3.4Å; Y216-Q238 PolarHBondContact O-N 2.82Å
217	I	93.9	Very high	81.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	147.5	173.4	69	176.3	0	0	0	111.7	W171 I176 P177 Y178 V179 F207 F219 Q238 I240 L256 V259	W171-I217 HydrophobicContact CH2-CG2 4.12Å; W171-I217 HydrophobicContact CZ2-CG2 3.88Å; I176-I217 HydrophobicContact CG2-CD1 4.13Å; I176-I217 HydrophobicContact CG2-CG1 4.38Å; I176-I217 HydrophobicContact CG2-CG2 4.15Å; P177-I217 PolarHBondContact O-N 2.88Å; Y178-I217 CarbonylContact C-O 3.6Å; Y178-I217 WeakPolarHBondContact CA-O 3.48Å; Y178-I217 VanDerWaalsContact CB-CG1 3.47Å; V179-I217 PolarHBondContact N-O 2.87Å; F207-I217 HydrophobicContact CE1-CD1 4.39Å; I217-F219 HydrophobicContact CD1-CE2 4.05Å; I217-F219 HydrophobicContact CD1-CZ 4.47Å; I217-Q238 CarbonylContact C-O 3.2Å; I217-Q238 VanDerWaalsContact CA-O 3.31Å; I217-Q238 WeakPolarHBondContact CA-O 3.44Å; I217-Q238 HydrophobicContact CG2-CG 3.98Å; I217-I240 HydrophobicContact CB-CG2 4.49Å; I217-L256 HydrophobicContact CD1-CD2 4.2Å; I217-V259 HydrophobicContact CD1-CG1 4.26Å; I217-V259 HydrophobicContact CG2-CG1 3.59Å; I217-V259 HydrophobicContact CG2-CG2 4.31Å
218	V	91.4	Very high	81.8	Confident	18 Å²	18	53.6 Å²	53.6	11%	0.109	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.8	174	-172	0	0	0	0	109.6	V179 Y216 T220 P237 Q238 A239 I240	V179-V218 HydrophobicContact CB-CG2 4.48Å; V179-V218 WeakPolarHBondContact O-CA 2.98Å; Y216-V218 HydrophobicContact CD2-CG2 3.82Å; Y216-V218 HydrophobicContact CE2-CG2 3.56Å; V218-T220 HydrophobicContact CB-CG2 4.41Å; V218-T220 HydrophobicContact CG1-CG2 3.93Å; V218-T220 PolarHBondContact O-N 2.83Å; V218-P237 HydrophobicContact CG2-CB 3.77Å; V218-Q238 PolarHBondContact N-O 3.23Å; V218-A239 WeakPolarHBondContact O-CA 3.38Å; V218-I240 WeakPolarHBondContact O-CG2 3.26Å; V218-I240 PolarHBondContact O-N 3.42Å
219	F	90.4	Very high	82.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.8	169.8	-69	-99	0	0	0	109.4	V179 I180 G181 F184 F192 M196 I217 I240 I242 V252 L256	V179-F219 PolarHBondContact O-N 3.14Å; I180-F219 HydrophobicContact CG1-CD2 3.85Å; I180-F219 HydrophobicContact CG1-CE2 4.42Å; I180-F219 HydrophobicContact CG1-CG 4.41Å; I180-F219 HydrophobicContact CG2-CB 4.17Å; G181-F219 PolarHBondContact N-O 2.9Å; G181-F219 VanDerWaalsContact N-O 3.1Å; F184-F219 HydrophobicContact CE2-CB 4.06Å; F192-F219 HydrophobicContact CB-CE1 4.11Å; F192-F219 HydrophobicContact CB-CZ 4.21Å; F192-F219 HydrophobicContact CD1-CD1 4.48Å; F192-F219 HydrophobicContact CD1-CE1 4.37Å; F192-F219 HydrophobicContact CD2-CB 4.19Å; F192-F219 AromaticContact CD2-CD1 3.55Å; F192-F219 HydrophobicContact CD2-CD1 3.55Å; F192-F219 HydrophobicContact CD2-CD2 4.5Å; F192-F219 AromaticContact CD2-CE1 3.97Å; F192-F219 HydrophobicContact CD2-CE1 3.97Å; F192-F219 AromaticContact CD2-CG 3.85Å; F192-F219 HydrophobicContact CD2-CG 3.85Å; F192-F219 HydrophobicContact CE2-CB 4.06Å; F192-F219 AromaticContact CE2-CD1 3.78Å; F192-F219 HydrophobicContact CE2-CD1 3.78Å; F192-F219 HydrophobicContact CE2-CG 4.12Å; F192-F219 AromaticContact CG-CD1 3.95Å; F192-F219 HydrophobicContact CG-CD1 3.95Å; F192-F219 AromaticContact CG-CE1 3.9Å; F192-F219 HydrophobicContact CG-CE1 3.9Å; F192-F219 HydrophobicContact CG-CZ 4.47Å; F192-F219 HydrophobicContact CZ-CD1 4.34Å; M196-F219 HydrophobicContact CE-CE2 4.29Å; M196-F219 HydrophobicContact CE-CZ 4.48Å; M196-F219 HydrophobicContact SD-CE2 4.09Å; M196-F219 HydrophobicContact SD-CZ 4.21Å; I217-F219 HydrophobicContact CD1-CE2 4.05Å; I217-F219 HydrophobicContact CD1-CZ 4.47Å; F219-I240 HydrophobicContact CB-CG2 4.37Å; F219-I240 HydrophobicContact CD1-CD1 4.36Å; F219-I240 HydrophobicContact CD1-CG2 3.87Å; F219-I240 HydrophobicContact CD2-CG2 4.2Å; F219-I240 HydrophobicContact CE1-CD1 3.96Å; F219-I240 HydrophobicContact CE1-CG2 4.2Å; F219-I240 HydrophobicContact CG-CG2 3.88Å; F219-I242 HydrophobicContact CD1-CG1 4.01Å; F219-V252 HydrophobicContact CE1-CG1 4.07Å; F219-L256 HydrophobicContact CZ-CD2 4.12Å
220	T	85.8	Confident	82.8	Confident	11 Å²	11	47.5 Å²	47.5	7%	0.067	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.4	-177.5	60.8	0	0	0	0	111.1	Y54 F184 V218 A239 I240 S241 I242	Y54-T220 HydrophobicContact CE2-CG2 4.2Å; F184-T220 VanDerWaalsContact CZ-C 3.41Å; V218-T220 HydrophobicContact CB-CG2 4.41Å; V218-T220 HydrophobicContact CG1-CG2 3.93Å; V218-T220 PolarHBondContact O-N 2.83Å; T220-A239 HydrophobicContact CG2-CB 3.93Å; T220-I240 PolarHBondContact N-O 2.6Å; T220-I240 PolarHBondContact OG1-O 3.07Å; T220-I240 VanDerWaalsContact OG1-O 3.11Å; T220-S241 WeakPolarHBondContact O-CA 3.46Å; T220-I242 PolarHBondContact O-N 2.84Å
221	Y	82.3	Confident	83.3	Confident	111 Å²	111	44.9 Å²	44.9	44%	0.435	25%	0.245	S	C	.	.			trans	-90.4	124.3	169.5	179.3	-93.7	0	0	0	108.9	I242	Y221-I242 VanDerWaalsContact CD2-O 3.25Å; Y221-I242 WeakPolarHBondContact CD2-O 3.41Å
222	R	76.8	Confident	84	Confident	64 Å²	64	42.9 Å²	42.9	24%	0.242	23%	0.226	C	C	.	.			trans	-139.1	153.1	179.4	-66.6	-64.9	-152.5	-132.4	8.1	111.5	Y54 D56 C58 C224 G243	Y54-R222 VanDerWaalsContact OH-CZ 3.24Å; Y54-R222 PolarHBondContact OH-NH1 3.02Å; Y54-R222 VanDerWaalsContact OH-NH1 3.15Å; Y54-R222 PolarHBondContact OH-NH2 3.02Å; D56-R222 IonicContact OD1-NE 2.9Å; D56-R222 IonicContact OD2-CZ 3.75Å; D56-R222 IonicContact OD2-NE 3.27Å; D56-R222 PolarHBondContact OD2-NE 3.44Å; D56-R222 IonicContact OD2-NH2 3.53Å; D56-R222 PolarHBondContact OD2-NH2 3.37Å; C58-R222 WeakPolarHBondContact SG-CB 3.2Å; R222-C224 VanDerWaalsContact C-N 3.31Å; R222-C224 PolarHBondContact O-N 3.49Å; R222-G243 VanDerWaalsContact O-CA 3.26Å; R222-G243 WeakPolarHBondContact O-CA 3.03Å
223	P	70.6	Confident	84.4	Confident	128 Å²	128	37.8 Å²	37.8	83%	0.831	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.5	179.3	32	-36.6	0	0	0	114.5	G225	P223-G225 VanDerWaalsContact C-N 3.33Å; P223-G225 PolarHBondContact O-N 3.13Å
224	C	68	Low	83.9	Confident	65 Å²	65	35.9 Å²	35.9	44%	0.439	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.8	-174.5	82.5	0	0	0	0	114.5	C58 R222 C227	C58-C224 WeakPolarHBondContact CA-SG 3.4Å; C58-C224 HydrophobicContact CB-CB 3.72Å; C58-C224 WeakPolarHBondContact CB-SG 3.41Å; C58-C224 WeakPolarHBondContact SG-CB 3.43Å; C58-C224 CovalentContact SG-SG 2.03Å; C58-C224 PolarHBondContact SG-SG 2.93Å; R222-C224 VanDerWaalsContact C-N 3.31Å; R222-C224 PolarHBondContact O-N 3.49Å; C224-C227 PolarHBondContact SG-SG 2.92Å
225	G	76.2	Confident	83.7	Confident	24 Å²	24	36.5 Å²	36.5	25%	0.247	20%	0.197	C	C	.	.			trans	125.8	-158.1	177.7	0	0	0	0	0	113.1	P223 S241 G243	P223-G225 VanDerWaalsContact C-N 3.33Å; P223-G225 PolarHBondContact O-N 3.13Å; G225-S241 PolarHBondContact O-OG 2.77Å; G225-G243 WeakPolarHBondContact O-CA 3.36Å; G225-G243 PolarHBondContact O-N 3.15Å; G225-G243 VanDerWaalsContact O-N 3.16Å
226	C	82.2	Confident	83.4	Confident	39 Å²	39	36.7 Å²	36.7	26%	0.264	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.7	169	-26.1	0	0	0	0	106.5	D66 S241 C246 I251 E255	D66-C226 WeakPolarHBondContact CB-O 3.13Å; C226-S241 WeakPolarHBondContact CA-O 3.2Å; C226-C246 WeakPolarHBondContact CA-SG 3.35Å; C226-C246 HydrophobicContact CB-CB 3.83Å; C226-C246 WeakPolarHBondContact CB-SG 3.41Å; C226-C246 PolarHBondContact N-SG 3.21Å; C226-C246 WeakPolarHBondContact SG-CB 3.16Å; C226-C246 CovalentContact SG-SG 2.03Å; C226-C246 PolarHBondContact SG-SG 2.89Å; C226-I251 HydrophobicContact CB-CG2 4.1Å; C226-E255 VanDerWaalsContact C-OE1 3.24Å; C226-E255 HydrophobicContact CB-CG 4.48Å; C226-E255 WeakPolarHBondContact CB-OE1 3.25Å
227	C	82.9	Confident	83.2	Confident	4 Å²	4	36 Å²	36	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	152.8	178	57.6	0	0	0	0	113.5	P57 F63 D66 C224 S241 E255	P57-C227 HydrophobicContact CB-CB 4.44Å; F63-C227 HydrophobicContact CE1-CB 4.42Å; D66-C227 WeakPolarHBondContact O-CA 3.49Å; D66-C227 WeakPolarHBondContact O-CB 3.41Å; C224-C227 PolarHBondContact SG-SG 2.92Å; C227-S241 PolarHBondContact N-O 3.28Å; C227-S241 WeakPolarHBondContact O-CB 3.21Å; C227-S241 PolarHBondContact O-N 2.87Å; C227-S241 WeakPolarHBondContact SG-CB 3.25Å; C227-E255 WeakPolarHBondContact CA-OE2 3.49Å; C227-E255 PolarHBondContact N-OE1 2.91Å
228	S	88.2	Confident	83	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-152.8	166.6	-173.6	-172.9	0	0	0	0	111.6	D66 A68 E255 V259	D66-S228 PolarHBondContact O-N 3.32Å; A68-S228 PolarHBondContact N-O 2.04Å; S228-E255 WeakPolarHBondContact CB-OE2 3.37Å; S228-E255 PolarHBondContact N-OE2 2.94Å; S228-E255 PolarHBondContact OG-O 2.95Å; S228-V259 WeakPolarHBondContact OG-CG2 3.36Å
229	Y	86.9	Confident	82.8	Confident	7 Å²	7	35.3 Å²	35.3	3%	0.027	20%	0.196	C	C	.	.			trans	-96.6	140.7	172.6	-71.3	-80.3	0	0	0	110.5	K55 D56 P57 A68 G231 R233 Q238 H258	K55-Y229 HydrophobicContact CB-CE2 4.01Å; K55-Y229 WeakPolarHBondContact O-CE2 3.37Å; D56-Y229 PolarHBondContact O-OH 3.41Å; P57-Y229 HydrophobicContact CB-CD2 4.34Å; P57-Y229 HydrophobicContact CB-CE2 3.91Å; P57-Y229 HydrophobicContact CG-CE2 4.47Å; A68-Y229 HydrophobicContact CB-CD1 3.88Å; A68-Y229 HydrophobicContact CB-CE1 3.67Å; A68-Y229 HydrophobicContact CB-CE2 4.44Å; A68-Y229 HydrophobicContact CB-CG 4.36Å; A68-Y229 VanDerWaalsContact O-CD1 3.28Å; A68-Y229 WeakPolarHBondContact O-CD1 3.5Å; Y229-G231 PolarHBondContact O-N 3.22Å; Y229-R233 HydrophobicContact CD1-CG 4.2Å; Y229-R233 HydrophobicContact CD2-CG 4.49Å; Y229-R233 HydrophobicContact CG-CG 3.99Å; Y229-Q238 HydrophobicContact CD2-CB 4.34Å; Y229-H258 CarbonylContact O-C 3.57Å
230	V	88.1	Confident	82.9	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	20%	0.196	C	C	.	.	S	Bend	trans	-74.2	108	174	-179.7	0	0	0	0	110.7	I67 H258 W263	I67-V230 HydrophobicContact CD1-CG2 3.87Å; I67-V230 HydrophobicContact CG1-CG2 4.13Å; I67-V230 HydrophobicContact CG2-CG2 3.73Å; V230-H258 CarbonylContact C-O 3.55Å; V230-H258 WeakPolarHBondContact CA-O 3.23Å; V230-H258 HydrophobicContact CG2-CB 4.43Å; V230-W263 HydrophobicContact CB-CH2 4.38Å; V230-W263 HydrophobicContact CB-CZ2 4.22Å; V230-W263 HydrophobicContact CG1-CD2 4.2Å; V230-W263 HydrophobicContact CG1-CG 4.44Å; V230-W263 HydrophobicContact CG1-CZ2 4.2Å; V230-W263 HydrophobicContact CG2-CD2 4.02Å; V230-W263 HydrophobicContact CG2-CE3 3.9Å; V230-W263 HydrophobicContact CG2-CH2 4.25Å; V230-W263 HydrophobicContact CG2-CZ2 4.41Å; V230-W263 HydrophobicContact CG2-CZ3 4.02Å
231	G	89	Confident	83	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	78.4	-170.5	177.3	0	0	0	0	0	114.5	R169 Y229 Q238 H258 V259	R169-G231 WeakPolarHBondContact O-CA 3.22Å; Y229-G231 PolarHBondContact O-N 3.22Å; G231-Q238 PolarHBondContact O-NE2 3.07Å; G231-H258 PolarHBondContact N-O 2.79Å; G231-V259 WeakPolarHBondContact CA-O 3.33Å
232	R	90.9	Very high	83.2	Confident	59 Å²	59	29.7 Å²	29.7	22%	0.223	17%	0.173	C	C	.	.			trans	-70.5	126	174.3	-177.5	176.6	167	-86.6	-6.2	110.8	R169 W171 S215	R169-R232 WeakPolarHBondContact CA-O 3.24Å; R169-R232 PolarHBondContact O-N 2.84Å; W171-R232 HydrophobicContact CD2-CB 3.81Å; W171-R232 HydrophobicContact CD2-CG 4.16Å; W171-R232 HydrophobicContact CE3-CB 4.27Å; W171-R232 HydrophobicContact CE3-CG 4.11Å; W171-R232 HydrophobicContact CG-CB 4.17Å; W171-R232 HydrophobicContact CH2-CB 4.39Å; W171-R232 HydrophobicContact CH2-CG 4.11Å; W171-R232 HydrophobicContact CZ2-CB 3.95Å; W171-R232 HydrophobicContact CZ2-CG 4.18Å; W171-R232 HydrophobicContact CZ3-CG 4.08Å; S215-R232 PolarHBondContact OG-NE 2.96Å; S215-R232 PolarHBondContact OG-NH2 2.83Å
233	R	84.6	Confident	83.2	Confident	35 Å²	35	26.7 Å²	26.7	13%	0.132	16%	0.162	C	C	.	.			trans	-86.6	-31.9	170.3	-58.4	-53	-63.4	-158.4	0.2	113	K55 D70 D73 Y229 Q238	K55-R233 HydrophobicContact CD-CB 4.2Å; K55-R233 HydrophobicContact CD-CG 4.45Å; D70-R233 IonicContact OD1-NH2 2.7Å; D70-R233 PolarHBondContact OD1-NH2 2.9Å; D70-R233 IonicContact OD2-CZ 3.87Å; D70-R233 IonicContact OD2-NE 2.65Å; D70-R233 IonicContact OD2-NH2 3.4Å; D70-R233 PolarHBondContact OD2-NH2 2.88Å; D73-R233 VanDerWaalsContact CG-NH1 3.31Å; D73-R233 VanDerWaalsContact CG-NH2 3.33Å; D73-R233 IonicContact OD1-CZ 2.68Å; D73-R233 IonicContact OD1-NH1 3.56Å; D73-R233 PolarHBondContact OD1-NH1 3.41Å; D73-R233 IonicContact OD1-NH2 2.78Å; D73-R233 PolarHBondContact OD1-NH2 3.29Å; D73-R233 IonicContact OD2-CZ 2.7Å; D73-R233 IonicContact OD2-NH1 3.26Å; D73-R233 PolarHBondContact OD2-NH1 3.33Å; D73-R233 IonicContact OD2-NH2 3.63Å; D73-R233 PolarHBondContact OD2-NH2 2.03Å; Y229-R233 HydrophobicContact CD1-CG 4.2Å; Y229-R233 HydrophobicContact CD2-CG 4.49Å; Y229-R233 HydrophobicContact CG-CG 3.99Å; R233-Q238 HydrophobicContact CG-CB 4.47Å
234	G	75.2	Confident	83.2	Confident	8 Å²	8	28.1 Å²	28.1	8%	0.082	16%	0.155	C	C	.	.			trans	78.5	-179.3	-177.3	0	0	0	0	0	113.9	G236	G234-G236 VanDerWaalsContact C-N 3.29Å; G234-G236 PolarHBondContact O-N 2.78Å
235	N	76.2	Confident	83.3	Confident	146 Å²	146	30.2 Å²	30.2	78%	0.781	16%	0.162	S	C	*	.	S	Bend	trans	56.6	31.7	175	-51.8	-9.7	0	0	0	115.4
236	G	80.9	Confident	83.2	Confident	14 Å²	14	29.2 Å²	29.2	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	133	-165.4	176.9	0	0	0	0	0	114.2	E214 G234	E214-G236 CarbonylContact O-C 3.48Å; E214-G236 WeakPolarHBondContact O-CA 3.43Å; G234-G236 VanDerWaalsContact C-N 3.29Å; G234-G236 PolarHBondContact O-N 2.78Å
237	P	86.3	Confident	82.5	Confident	20 Å²	20	30.5 Å²	30.5	13%	0.13	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.8	173.4	22.8	-28.2	0	0	0	113.4	I52 Y54 K55 Y216 V218	I52-P237 HydrophobicContact CG2-CG 3.79Å; Y54-P237 WeakPolarHBondContact CA-O 3.41Å; Y54-P237 WeakPolarHBondContact CB-O 3.48Å; K55-P237 PolarHBondContact N-O 3.47Å; K55-P237 VanDerWaalsContact N-O 3.1Å; Y216-P237 HydrophobicContact CD1-CB 4.36Å; Y216-P237 HydrophobicContact CD2-CB 4.28Å; Y216-P237 HydrophobicContact CE1-CB 3.86Å; Y216-P237 HydrophobicContact CE1-CG 4.14Å; Y216-P237 HydrophobicContact CE2-CB 3.8Å; Y216-P237 WeakPolarHBondContact O-CA 3.4Å; V218-P237 HydrophobicContact CG2-CB 3.77Å
238	Q	90.3	Very high	82.3	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.5	163.9	63.7	-172.8	81	0	0	109.5	Y216 I217 V218 Y229 G231 R233	Y216-Q238 PolarHBondContact O-N 2.82Å; I217-Q238 CarbonylContact C-O 3.2Å; I217-Q238 VanDerWaalsContact CA-O 3.31Å; I217-Q238 WeakPolarHBondContact CA-O 3.44Å; I217-Q238 HydrophobicContact CG2-CG 3.98Å; V218-Q238 PolarHBondContact N-O 3.23Å; Y229-Q238 HydrophobicContact CD2-CB 4.34Å; G231-Q238 PolarHBondContact O-NE2 3.07Å; R233-Q238 HydrophobicContact CG-CB 4.47Å
239	A	87.4	Confident	82	Confident	2 Å²	2	39.5 Å²	39.5	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.6	178	0	0	0	0	0	112.2	Y54 K55 P57 V218 T220	Y54-A239 HydrophobicContact CD2-CB 3.51Å; Y54-A239 HydrophobicContact CE2-CB 3.8Å; Y54-A239 HydrophobicContact CG-CB 4.34Å; K55-A239 PolarHBondContact O-N 3.36Å; P57-A239 HydrophobicContact CG-CB 4.48Å; V218-A239 WeakPolarHBondContact O-CA 3.38Å; T220-A239 HydrophobicContact CG2-CB 3.93Å
240	I	91.6	Very high	81.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.3	162.6	169.7	175.8	0	0	0	106.6	I217 V218 F219 T220 I242 E255 L256 V259	I217-I240 HydrophobicContact CB-CG2 4.49Å; V218-I240 WeakPolarHBondContact O-CG2 3.26Å; V218-I240 PolarHBondContact O-N 3.42Å; F219-I240 HydrophobicContact CB-CG2 4.37Å; F219-I240 HydrophobicContact CD1-CD1 4.36Å; F219-I240 HydrophobicContact CD1-CG2 3.87Å; F219-I240 HydrophobicContact CD2-CG2 4.2Å; F219-I240 HydrophobicContact CE1-CD1 3.96Å; F219-I240 HydrophobicContact CE1-CG2 4.2Å; F219-I240 HydrophobicContact CG-CG2 3.88Å; T220-I240 PolarHBondContact N-O 2.6Å; T220-I240 PolarHBondContact OG1-O 3.07Å; T220-I240 VanDerWaalsContact OG1-O 3.11Å; I240-I242 HydrophobicContact CD1-CD1 4.28Å; I240-I242 HydrophobicContact CG1-CD1 4.16Å; I240-E255 HydrophobicContact CD1-CB 3.56Å; I240-E255 HydrophobicContact CG1-CB 4.13Å; I240-L256 HydrophobicContact CD1-CD2 4.42Å; I240-V259 HydrophobicContact CD1-CG2 4.35Å
241	S	88.8	Confident	81.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117	-176.1	-179.8	0	0	0	0	110.5	T220 G225 C226 C227	T220-S241 WeakPolarHBondContact O-CA 3.46Å; G225-S241 PolarHBondContact O-OG 2.77Å; C226-S241 WeakPolarHBondContact CA-O 3.2Å; C227-S241 PolarHBondContact N-O 3.28Å; C227-S241 WeakPolarHBondContact O-CB 3.21Å; C227-S241 PolarHBondContact O-N 2.87Å; C227-S241 WeakPolarHBondContact SG-CB 3.25Å
242	I	86.4	Confident	81.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	88.8	168.2	-51.8	-56.9	0	0	0	107	F184 F192 F219 T220 Y221 I240 C246 D247 V252 E255	F184-I242 HydrophobicContact CE1-CB 4.13Å; F184-I242 HydrophobicContact CE1-CG2 4.43Å; F184-I242 HydrophobicContact CZ-CB 4.09Å; F192-I242 HydrophobicContact CE1-CB 4.45Å; F192-I242 HydrophobicContact CE1-CG1 4.07Å; F192-I242 HydrophobicContact CE1-CG2 4Å; F192-I242 HydrophobicContact CZ-CB 4.05Å; F192-I242 HydrophobicContact CZ-CG1 3.85Å; F192-I242 HydrophobicContact CZ-CG2 3.92Å; F219-I242 HydrophobicContact CD1-CG1 4.01Å; T220-I242 PolarHBondContact O-N 2.84Å; Y221-I242 VanDerWaalsContact CD2-O 3.25Å; Y221-I242 WeakPolarHBondContact CD2-O 3.41Å; I240-I242 HydrophobicContact CD1-CD1 4.28Å; I240-I242 HydrophobicContact CG1-CD1 4.16Å; I242-C246 HydrophobicContact CG2-CB 3.73Å; I242-D247 HydrophobicContact CG2-CB 4.4Å; I242-V252 HydrophobicContact CD1-CG2 4.16Å; I242-E255 HydrophobicContact CD1-CG 4.25Å
243	G	75.9	Confident	81.8	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.021	19%	0.193	C	C	.	.			trans	-76.2	-173	177.6	0	0	0	0	0	114	R222 G225 N245 C246	R222-G243 VanDerWaalsContact O-CA 3.26Å; R222-G243 WeakPolarHBondContact O-CA 3.03Å; G225-G243 WeakPolarHBondContact O-CA 3.36Å; G225-G243 PolarHBondContact O-N 3.15Å; G225-G243 VanDerWaalsContact O-N 3.16Å; G243-N245 PolarHBondContact O-N 3.39Å; G243-C246 PolarHBondContact N-SG 3.32Å; G243-C246 VanDerWaalsContact N-SG 3.44Å; G243-C246 WeakPolarHBondContact O-CB 3.05Å; G243-C246 PolarHBondContact O-N 3.06Å; G243-C246 VanDerWaalsContact O-N 3.08Å; G243-C246 PolarHBondContact O-SG 2.84Å
244	K	71.1	Confident	82.1	Confident	157 Å²	157	36.9 Å²	36.9	68%	0.683	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	129.2	-179.9	-172.5	171.8	-178.5	175.2	0	111.4	C246	K244-C246 PolarHBondContact O-N 3.41Å
245	N	70.4	Confident	82.9	Confident	110 Å²	110	36.6 Å²	36.6	59%	0.588	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	5.1	-175.1	-40.7	-38	0	0	0	115.6	G243 D247	G243-N245 PolarHBondContact O-N 3.39Å; N245-D247 VanDerWaalsContact C-N 3.3Å; N245-D247 WeakPolarHBondContact CA-OD1 3.16Å
246	C	73.9	Confident	83.8	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.148	C	C	.	.			trans	-82.6	-8.3	175	-58	0	0	0	0	113	C226 I242 G243 K244 K248 I251	C226-C246 WeakPolarHBondContact CA-SG 3.35Å; C226-C246 HydrophobicContact CB-CB 3.83Å; C226-C246 WeakPolarHBondContact CB-SG 3.41Å; C226-C246 PolarHBondContact N-SG 3.21Å; C226-C246 WeakPolarHBondContact SG-CB 3.16Å; C226-C246 CovalentContact SG-SG 2.03Å; C226-C246 PolarHBondContact SG-SG 2.89Å; I242-C246 HydrophobicContact CG2-CB 3.73Å; G243-C246 PolarHBondContact N-SG 3.32Å; G243-C246 VanDerWaalsContact N-SG 3.44Å; G243-C246 WeakPolarHBondContact O-CB 3.05Å; G243-C246 PolarHBondContact O-N 3.06Å; G243-C246 VanDerWaalsContact O-N 3.08Å; G243-C246 PolarHBondContact O-SG 2.84Å; K244-C246 PolarHBondContact O-N 3.41Å; C246-K248 PolarHBondContact O-N 3.02Å; C246-I251 HydrophobicContact CB-CG2 4.23Å; C246-I251 WeakPolarHBondContact O-CB 3.37Å; C246-I251 WeakPolarHBondContact O-CG2 3.42Å
247	D	67.4	Low	84.4	Confident	67 Å²	67	29 Å²	29	36%	0.358	14%	0.141	S	C	.	.			trans	-79.7	47.7	-175.2	50.5	-23.7	0	0	0	113.2	Q188 M191 I242 N245	Q188-D247 HydrophobicContact CG-CB 4.25Å; Q188-D247 PolarHBondContact NE2-OD2 2.54Å; M191-D247 VanDerWaalsContact CE-C 3.47Å; M191-D247 HydrophobicContact CE-CB 3.89Å; M191-D247 WeakPolarHBondContact CE-O 3.27Å; I242-D247 HydrophobicContact CG2-CB 4.4Å; N245-D247 VanDerWaalsContact C-N 3.3Å; N245-D247 WeakPolarHBondContact CA-OD1 3.16Å
248	K	79.4	Confident	84.6	Confident	136 Å²	136	28 Å²	28	59%	0.591	14%	0.135	S	C	*	.	S	Bend	trans	-117.1	135.2	172.9	-57.1	-174.2	-179.6	-171.1	0	109.2	C246 G250 I251 V252	C246-K248 PolarHBondContact O-N 3.02Å; K248-G250 VanDerWaalsContact C-N 3.34Å; K248-G250 PolarHBondContact O-N 3.08Å; K248-G250 VanDerWaalsContact O-N 3.16Å; K248-I251 HydrophobicContact CB-CD1 4.02Å; K248-I251 HydrophobicContact CB-CG1 4.18Å; K248-I251 HydrophobicContact CD-CD1 4.29Å; K248-I251 HydrophobicContact CG-CD1 4.29Å; K248-I251 WeakPolarHBondContact O-CA 3.04Å; K248-I251 WeakPolarHBondContact O-CB 3.41Å; K248-I251 PolarHBondContact O-N 3.21Å; K248-V252 PolarHBondContact O-N 2.77Å; K248-V252 VanDerWaalsContact O-N 3.11Å
249	F	81.7	Confident	84.8	Confident	56 Å²	56	28 Å²	28	25%	0.246	13%	0.134	C	C	.	.	H	α-helix	trans	-42.5	-54.8	-176.3	173.4	-99.5	0	0	0	113.6	M191 Q194 A195 H198 I251 V252 V253	M191-F249 HydrophobicContact CG-CB 4.42Å; Q194-F249 HydrophobicContact CB-CE2 4.38Å; Q194-F249 HydrophobicContact CG-CD2 4.49Å; Q194-F249 HydrophobicContact CG-CE2 4.08Å; A195-F249 HydrophobicContact CB-CD2 4.29Å; A195-F249 HydrophobicContact CB-CE2 4.36Å; H198-F249 HydrophobicContact CB-CE2 4.17Å; H198-F249 HydrophobicContact CB-CZ 3.79Å; H198-F249 AromaticContact CG-CZ 3.67Å; H198-F249 AromaticContact ND1-CZ 3.92Å; F249-I251 VanDerWaalsContact C-N 3.28Å; F249-I251 PolarHBondContact O-N 3.31Å; F249-V252 PolarHBondContact O-N 2.94Å; F249-V252 VanDerWaalsContact O-N 3.14Å; F249-V253 HydrophobicContact CD1-CG2 4.32Å; F249-V253 HydrophobicContact CD2-CG2 4.34Å; F249-V253 HydrophobicContact CE1-CG2 4.01Å; F249-V253 HydrophobicContact CE2-CG2 4.02Å; F249-V253 HydrophobicContact CG-CG2 4.48Å; F249-V253 HydrophobicContact CZ-CG2 3.86Å; F249-V253 WeakPolarHBondContact O-CG2 3.45Å; F249-V253 PolarHBondContact O-N 2.72Å
250	G	81.2	Confident	85.1	Confident	5 Å²	5	27.9 Å²	27.9	5%	0.052	13%	0.134	C	C	.	.	H	α-helix	trans	-70	-15	-178.9	0	0	0	0	0	116.1	K248 H254 I310 R343	K248-G250 VanDerWaalsContact C-N 3.34Å; K248-G250 PolarHBondContact O-N 3.08Å; K248-G250 VanDerWaalsContact O-N 3.16Å; G250-H254 WeakPolarHBondContact O-CB 3.27Å; G250-H254 PolarHBondContact O-N 2.83Å; G250-I310 WeakPolarHBondContact O-CD1 3.44Å; G250-R343 WeakPolarHBondContact CA-O 3.01Å
251	I	85.4	Confident	85	Confident	38 Å²	38	27.8 Å²	27.8	20%	0.195	13%	0.133	C	C	.	.	H	α-helix	trans	-79	-46.6	168.2	-60.3	176	0	0	0	108.7	C226 C246 K248 F249 V253 H254 E255	C226-I251 HydrophobicContact CB-CG2 4.1Å; C246-I251 HydrophobicContact CB-CG2 4.23Å; C246-I251 WeakPolarHBondContact O-CB 3.37Å; C246-I251 WeakPolarHBondContact O-CG2 3.42Å; K248-I251 HydrophobicContact CB-CD1 4.02Å; K248-I251 HydrophobicContact CB-CG1 4.18Å; K248-I251 HydrophobicContact CD-CD1 4.29Å; K248-I251 HydrophobicContact CG-CD1 4.29Å; K248-I251 WeakPolarHBondContact O-CA 3.04Å; K248-I251 WeakPolarHBondContact O-CB 3.41Å; K248-I251 PolarHBondContact O-N 3.21Å; F249-I251 VanDerWaalsContact C-N 3.28Å; F249-I251 PolarHBondContact O-N 3.31Å; I251-V253 VanDerWaalsContact C-N 3.33Å; I251-V253 PolarHBondContact O-N 3.3Å; I251-H254 WeakPolarHBondContact O-CA 3Å; I251-H254 VanDerWaalsContact O-CB 3.3Å; I251-H254 WeakPolarHBondContact O-CB 3.46Å; I251-H254 PolarHBondContact O-N 2.95Å; I251-E255 HydrophobicContact CG2-CG 4.45Å; I251-E255 WeakPolarHBondContact O-CG 3.01Å; I251-E255 PolarHBondContact O-N 2.9Å
252	V	90.8	Very high	85.1	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-37.7	178.7	-174.4	0	0	0	0	111.7	M191 F192 A195 F219 I242 K248 F249 H254 E255 L256	M191-V252 HydrophobicContact CE-CG2 4.09Å; M191-V252 HydrophobicContact SD-CB 4.17Å; M191-V252 HydrophobicContact SD-CG2 3.58Å; M191-V252 VanDerWaalsContact SD-CG2 3.58Å; F192-V252 HydrophobicContact CD1-CG1 3.95Å; F192-V252 HydrophobicContact CD1-CG2 3.92Å; F192-V252 HydrophobicContact CE1-CG2 3.93Å; A195-V252 HydrophobicContact CB-CB 3.91Å; A195-V252 HydrophobicContact CB-CG1 3.66Å; F219-V252 HydrophobicContact CE1-CG1 4.07Å; I242-V252 HydrophobicContact CD1-CG2 4.16Å; K248-V252 PolarHBondContact O-N 2.77Å; K248-V252 VanDerWaalsContact O-N 3.11Å; F249-V252 PolarHBondContact O-N 2.94Å; F249-V252 VanDerWaalsContact O-N 3.14Å; V252-H254 VanDerWaalsContact C-N 3.27Å; V252-H254 PolarHBondContact O-N 2.64Å; V252-E255 PolarHBondContact O-N 2.88Å; V252-L256 HydrophobicContact CG1-CD1 4.21Å; V252-L256 HydrophobicContact CG1-CG 4.47Å; V252-L256 WeakPolarHBondContact O-CB 3.3Å; V252-L256 VanDerWaalsContact O-CG 3.23Å; V252-L256 WeakPolarHBondContact O-CG 3Å; V252-L256 PolarHBondContact O-N 3.42Å
253	V	92.6	Very high	85.2	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-34.1	172.5	175.2	0	0	0	0	111.9	A195 W199 F249 I251 G257 I310 L346	A195-V253 HydrophobicContact CB-CG2 3.71Å; W199-V253 PolarHBondContact NE1-O 3.04Å; F249-V253 HydrophobicContact CD1-CG2 4.32Å; F249-V253 HydrophobicContact CD2-CG2 4.34Å; F249-V253 HydrophobicContact CE1-CG2 4.01Å; F249-V253 HydrophobicContact CE2-CG2 4.02Å; F249-V253 HydrophobicContact CG-CG2 4.48Å; F249-V253 HydrophobicContact CZ-CG2 3.86Å; F249-V253 WeakPolarHBondContact O-CG2 3.45Å; F249-V253 PolarHBondContact O-N 2.72Å; I251-V253 VanDerWaalsContact C-N 3.33Å; I251-V253 PolarHBondContact O-N 3.3Å; V253-G257 PolarHBondContact O-N 2.86Å; V253-G257 VanDerWaalsContact O-N 3.11Å; V253-I310 HydrophobicContact CB-CD1 3.82Å; V253-I310 HydrophobicContact CG1-CD1 3.54Å; V253-L346 HydrophobicContact CG1-CD2 3.7Å; V253-L346 HydrophobicContact CG1-CG 4.03Å
254	H	90.6	Very high	85.8	Confident	5 Å²	5	28 Å²	28	2%	0.023	13%	0.133	C	C	.	.	H	α-helix	trans	-71.2	-48.8	176.3	178.2	84.5	0	0	0	111.9	G250 I251 V252 L256 G257 H258 H264 I310 M311 R343	G250-H254 WeakPolarHBondContact O-CB 3.27Å; G250-H254 PolarHBondContact O-N 2.83Å; I251-H254 WeakPolarHBondContact O-CA 3Å; I251-H254 VanDerWaalsContact O-CB 3.3Å; I251-H254 WeakPolarHBondContact O-CB 3.46Å; I251-H254 PolarHBondContact O-N 2.95Å; V252-H254 VanDerWaalsContact C-N 3.27Å; V252-H254 PolarHBondContact O-N 2.64Å; H254-L256 VanDerWaalsContact C-N 3.27Å; H254-L256 PolarHBondContact O-N 2.72Å; H254-G257 VanDerWaalsContact O-CA 3.32Å; H254-G257 WeakPolarHBondContact O-CA 3.16Å; H254-G257 PolarHBondContact O-N 3.44Å; H254-H258 AromaticContact NE2-NE2 3.81Å; H254-H258 PolarHBondContact O-N 3.15Å; H254-H264 AromaticContact CE1-CD2 3.91Å; H254-I310 HydrophobicContact CB-CD1 4.47Å; H254-I310 HydrophobicContact CB-CG1 4.47Å; H254-I310 PolarHBondContact CE1-O 3.25Å; H254-I310 PolarHBondContact ND1-O 2.96Å; H254-M311 WeakPolarHBondContact O-CE 3.44Å; H254-R343 PolarHBondContact CE1-NH2 3.04Å; H254-R343 PolarHBondContact NE2-NH2 3.36Å
255	E	93.1	Very high	86.8	Confident	3 Å²	3	20.7 Å²	20.7	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-36.4	175.5	-62.6	-62.5	161.8	0	0	112.5	C226 C227 S228 I240 I242 I251 V252 G257 H258 V259	C226-E255 VanDerWaalsContact C-OE1 3.24Å; C226-E255 HydrophobicContact CB-CG 4.48Å; C226-E255 WeakPolarHBondContact CB-OE1 3.25Å; C227-E255 WeakPolarHBondContact CA-OE2 3.49Å; C227-E255 PolarHBondContact N-OE1 2.91Å; S228-E255 WeakPolarHBondContact CB-OE2 3.37Å; S228-E255 PolarHBondContact N-OE2 2.94Å; S228-E255 PolarHBondContact OG-O 2.95Å; I240-E255 HydrophobicContact CD1-CB 3.56Å; I240-E255 HydrophobicContact CG1-CB 4.13Å; I242-E255 HydrophobicContact CD1-CG 4.25Å; I251-E255 HydrophobicContact CG2-CG 4.45Å; I251-E255 WeakPolarHBondContact O-CG 3.01Å; I251-E255 PolarHBondContact O-N 2.9Å; V252-E255 PolarHBondContact O-N 2.88Å; E255-G257 VanDerWaalsContact C-N 3.31Å; E255-H258 WeakPolarHBondContact O-CB 3.1Å; E255-H258 PolarHBondContact O-N 2.88Å; E255-V259 PolarHBondContact O-N 2.88Å
256	L	93.9	Very high	87.6	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.8	-29.9	171.2	-73.3	173.4	0	0	0	112.6	A195 M196 F207 I217 F219 I240 V252 H254 H258 V259 I260	A195-L256 HydrophobicContact CB-CD1 3.93Å; M196-L256 HydrophobicContact CB-CD1 4.45Å; M196-L256 HydrophobicContact CG-CD1 3.64Å; M196-L256 HydrophobicContact CG-CD2 4.19Å; F207-L256 HydrophobicContact CE1-CD2 3.77Å; F207-L256 HydrophobicContact CZ-CD2 3.98Å; I217-L256 HydrophobicContact CD1-CD2 4.2Å; F219-L256 HydrophobicContact CZ-CD2 4.12Å; I240-L256 HydrophobicContact CD1-CD2 4.42Å; V252-L256 HydrophobicContact CG1-CD1 4.21Å; V252-L256 HydrophobicContact CG1-CG 4.47Å; V252-L256 WeakPolarHBondContact O-CB 3.3Å; V252-L256 VanDerWaalsContact O-CG 3.23Å; V252-L256 WeakPolarHBondContact O-CG 3Å; V252-L256 PolarHBondContact O-N 3.42Å; H254-L256 VanDerWaalsContact C-N 3.27Å; H254-L256 PolarHBondContact O-N 2.72Å; L256-H258 VanDerWaalsContact C-N 3.34Å; L256-V259 WeakPolarHBondContact O-CB 3.17Å; L256-V259 PolarHBondContact O-N 3.36Å; L256-I260 WeakPolarHBondContact O-CB 3.16Å; L256-I260 VanDerWaalsContact O-CG1 3.25Å; L256-I260 WeakPolarHBondContact O-CG1 3.45Å; L256-I260 PolarHBondContact O-N 2.82Å
257	G	93.4	Very high	88.2	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-40.7	170.9	0	0	0	0	0	112.5	V253 H254 E255 I260 G261 F262	V253-G257 PolarHBondContact O-N 2.86Å; V253-G257 VanDerWaalsContact O-N 3.11Å; H254-G257 VanDerWaalsContact O-CA 3.32Å; H254-G257 WeakPolarHBondContact O-CA 3.16Å; H254-G257 PolarHBondContact O-N 3.44Å; E255-G257 VanDerWaalsContact C-N 3.31Å; G257-I260 PolarHBondContact O-N 2.99Å; G257-G261 PolarHBondContact O-N 3.3Å; G257-G261 VanDerWaalsContact O-N 3.17Å; G257-F262 WeakPolarHBondContact O-CB 3.2Å; G257-F262 PolarHBondContact O-N 2.94Å
258	H	91.8	Very high	89	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-48.1	170.1	-65.2	-48.4	0	0	0	111.6	D66 Y229 V230 G231 H254 E255 L256 I260 G261 F262 H264 M311	D66-H258 IonicContact OD1-NE2 3.87Å; D66-H258 PolarHBondContact OD1-NE2 2.87Å; Y229-H258 CarbonylContact O-C 3.57Å; V230-H258 CarbonylContact C-O 3.55Å; V230-H258 WeakPolarHBondContact CA-O 3.23Å; V230-H258 HydrophobicContact CG2-CB 4.43Å; G231-H258 PolarHBondContact N-O 2.79Å; H254-H258 AromaticContact NE2-NE2 3.81Å; H254-H258 PolarHBondContact O-N 3.15Å; E255-H258 WeakPolarHBondContact O-CB 3.1Å; E255-H258 PolarHBondContact O-N 2.88Å; L256-H258 VanDerWaalsContact C-N 3.34Å; H258-I260 PolarHBondContact O-N 3.31Å; H258-G261 WeakPolarHBondContact O-CA 3.21Å; H258-G261 PolarHBondContact O-N 3.1Å; H258-F262 PolarHBondContact ND1-O 3Å; H258-H264 AromaticContact CE1-CD2 3.84Å; H258-M311 WeakPolarHBondContact CE1-CE 3.48Å; H258-M311 WeakPolarHBondContact ND1-CE 3.36Å
259	V	93.8	Very high	89.3	Confident	1 Å²	1	6.8 Å²	6.8	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-54.9	-40.1	176.5	176.2	0	0	0	0	111.9	W171 I176 I217 S228 G231 I240 E255 L256 G261	W171-V259 HydrophobicContact CZ2-CG1 4.26Å; W171-V259 PolarHBondContact NE1-O 2.73Å; I176-V259 HydrophobicContact CD1-CG1 4.25Å; I176-V259 HydrophobicContact CG2-CG1 3.88Å; I217-V259 HydrophobicContact CD1-CG1 4.26Å; I217-V259 HydrophobicContact CG2-CG1 3.59Å; I217-V259 HydrophobicContact CG2-CG2 4.31Å; S228-V259 WeakPolarHBondContact OG-CG2 3.36Å; G231-V259 WeakPolarHBondContact CA-O 3.33Å; I240-V259 HydrophobicContact CD1-CG2 4.35Å; E255-V259 PolarHBondContact O-N 2.88Å; L256-V259 WeakPolarHBondContact O-CB 3.17Å; L256-V259 PolarHBondContact O-N 3.36Å; V259-G261 PolarHBondContact O-N 3.02Å
260	I	93.4	Very high	89.4	Confident	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.7	-23.4	177.9	-75.2	170	0	0	0	112.4	I176 W199 V205 F207 L256 G257 H258 F262 Y358	I176-I260 HydrophobicContact CD1-CG1 3.84Å; W199-I260 HydrophobicContact CB-CD1 4.14Å; W199-I260 HydrophobicContact CD2-CD1 3.27Å; W199-I260 HydrophobicContact CE3-CD1 3.54Å; W199-I260 HydrophobicContact CG-CD1 3.58Å; W199-I260 HydrophobicContact CH2-CD1 4.28Å; W199-I260 HydrophobicContact CZ2-CD1 4.06Å; W199-I260 HydrophobicContact CZ3-CD1 4.05Å; V205-I260 HydrophobicContact CG1-CD1 4.21Å; V205-I260 HydrophobicContact CG1-CG1 4.11Å; V205-I260 HydrophobicContact CG2-CG2 4.44Å; F207-I260 HydrophobicContact CZ-CD1 4.23Å; F207-I260 HydrophobicContact CZ-CG1 4.42Å; L256-I260 WeakPolarHBondContact O-CB 3.16Å; L256-I260 VanDerWaalsContact O-CG1 3.25Å; L256-I260 WeakPolarHBondContact O-CG1 3.45Å; L256-I260 PolarHBondContact O-N 2.82Å; G257-I260 PolarHBondContact O-N 2.99Å; H258-I260 PolarHBondContact O-N 3.31Å; I260-F262 HydrophobicContact CG2-CE1 4.41Å; I260-Y358 HydrophobicContact CG2-CE2 3.89Å; I260-Y358 WeakPolarHBondContact O-CE2 3.42Å; I260-Y358 PolarHBondContact O-OH 3.16Å
261	G	89.8	Confident	89.8	Confident	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	118	20.4	173.4	0	0	0	0	0	115	T164 G257 H258 V259	T164-G261 WeakPolarHBondContact CB-O 3.44Å; T164-G261 WeakPolarHBondContact CG2-O 3.43Å; T164-G261 PolarHBondContact N-O 3.24Å; G257-G261 PolarHBondContact O-N 3.3Å; G257-G261 VanDerWaalsContact O-N 3.17Å; H258-G261 WeakPolarHBondContact O-CA 3.21Å; H258-G261 PolarHBondContact O-N 3.1Å; V259-G261 PolarHBondContact O-N 3.02Å
262	F	91.4	Very high	90	Very high	3 Å²	3	7.5 Å²	7.5	1%	0.013	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-91.9	139.6	179.1	-67.8	-1	0	0	0	112.7	A163 W199 G257 H258 I260 M311 D350 Q353 A354 L357	A163-F262 HydrophobicContact CB-CD1 3.71Å; A163-F262 HydrophobicContact CB-CE1 3.91Å; W199-F262 HydrophobicContact CH2-CD2 4.04Å; W199-F262 AromaticContact CH2-CE2 3.68Å; W199-F262 HydrophobicContact CH2-CE2 3.68Å; W199-F262 HydrophobicContact CH2-CZ 4.43Å; W199-F262 HydrophobicContact CZ3-CE2 4.16Å; G257-F262 WeakPolarHBondContact O-CB 3.2Å; G257-F262 PolarHBondContact O-N 2.94Å; H258-F262 PolarHBondContact ND1-O 3Å; I260-F262 HydrophobicContact CG2-CE1 4.41Å; F262-M311 HydrophobicContact CB-CE 4.42Å; F262-M311 HydrophobicContact CB-CG 3.99Å; F262-M311 HydrophobicContact CD2-CG 3.82Å; F262-M311 HydrophobicContact CG-CG 4.44Å; F262-D350 HydrophobicContact CE2-CB 4.32Å; F262-D350 WeakPolarHBondContact CZ-O 3.28Å; F262-Q353 HydrophobicContact CE1-CB 4.42Å; F262-Q353 HydrophobicContact CE1-CG 4.3Å; F262-Q353 HydrophobicContact CZ-CB 3.96Å; F262-Q353 HydrophobicContact CZ-CG 4.31Å; F262-A354 HydrophobicContact CE1-CB 4.42Å; F262-A354 HydrophobicContact CZ-CB 3.8Å; F262-L357 HydrophobicContact CD1-CD2 4.45Å; F262-L357 HydrophobicContact CE1-CD2 4.15Å
263	W	88.1	Confident	89.9	Confident	4 Å²	4	11.6 Å²	11.6	2%	0.015	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-90.7	172.7	163.2	-62.6	96.7	0	0	0	109.6	I67 L69 F77 V230 M293 E297 V298	I67-W263 HydrophobicContact CD1-CE3 3.58Å; I67-W263 HydrophobicContact CD1-CZ3 4Å; I67-W263 HydrophobicContact CG2-CZ3 3.9Å; L69-W263 HydrophobicContact CD2-CH2 4.14Å; L69-W263 HydrophobicContact CD2-CZ3 4.36Å; F77-W263 HydrophobicContact CZ-CH2 4.04Å; V230-W263 HydrophobicContact CB-CH2 4.38Å; V230-W263 HydrophobicContact CB-CZ2 4.22Å; V230-W263 HydrophobicContact CG1-CD2 4.2Å; V230-W263 HydrophobicContact CG1-CG 4.44Å; V230-W263 HydrophobicContact CG1-CZ2 4.2Å; V230-W263 HydrophobicContact CG2-CD2 4.02Å; V230-W263 HydrophobicContact CG2-CE3 3.9Å; V230-W263 HydrophobicContact CG2-CH2 4.25Å; V230-W263 HydrophobicContact CG2-CZ2 4.41Å; V230-W263 HydrophobicContact CG2-CZ3 4.02Å; W263-M293 HydrophobicContact CD2-CE 3.89Å; W263-M293 HydrophobicContact CD2-CG 4.17Å; W263-M293 HydrophobicContact CD2-SD 4.18Å; W263-M293 HydrophobicContact CE3-CE 3.75Å; W263-M293 HydrophobicContact CE3-CG 4.23Å; W263-M293 HydrophobicContact CE3-SD 3.73Å; W263-M293 HydrophobicContact CG-CG 4.3Å; W263-M293 HydrophobicContact CH2-CE 3.52Å; W263-M293 HydrophobicContact CH2-SD 4.46Å; W263-M293 HydrophobicContact CZ2-CE 3.61Å; W263-M293 HydrophobicContact CZ3-CE 3.57Å; W263-M293 HydrophobicContact CZ3-SD 3.9Å; W263-E297 PolarHBondContact NE1-O 2.81Å; W263-V298 HydrophobicContact CG-CG2 4.45Å
264	H	89.4	Confident	89.8	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-69.1	138.4	174.1	-63.8	124.1	0	0	0	113	W64 D66 I67 H254 H258 H266 T267 M311 Y313	W64-H264 PolarHBondContact O-CE1 3.25Å; W64-H264 PolarHBondContact O-NE2 2.86Å; D66-H264 IonicContact OD1-NE2 3.21Å; D66-H264 PolarHBondContact OD1-NE2 2.78Å; D66-H264 IonicContact OD2-NE2 2.68Å; D66-H264 PolarHBondContact OD2-NE2 3.33Å; I67-H264 WeakPolarHBondContact CG1-NE2 3.44Å; H254-H264 AromaticContact CE1-CD2 3.91Å; H258-H264 AromaticContact CE1-CD2 3.84Å; H264-H266 WeakPolarHBondContact CB-CE1 3.49Å; H264-H266 WeakPolarHBondContact CB-ND1 3.28Å; H264-H266 AromaticContact CE1-CE1 3.92Å; H264-H266 AromaticContact CG-CE1 3.65Å; H264-H266 AromaticContact ND1-CE1 3.89Å; H264-H266 PolarHBondContact O-N 3.18Å; H264-T267 HydrophobicContact CB-CG2 3.89Å; H264-T267 PolarHBondContact O-N 2.88Å; H264-T267 PolarHBondContact O-OG1 2.97Å; H264-M311 VanDerWaalsContact CA-O 3.27Å; H264-M311 WeakPolarHBondContact CA-O 3.17Å; H264-M311 PolarHBondContact CD2-O 3.26Å; H264-Y313 AromaticContact CD2-CD1 4Å; H264-Y313 AromaticContact CD2-CE1 3.63Å; H264-Y313 AromaticContact ND1-CZ 3.97Å; H264-Y313 AromaticContact NE2-CE1 3.86Å; H264-Y313 AromaticContact NE2-CZ 3.61Å; H264-Y313 PolarHBondContact NE2-OH 2.86Å
265	E	90.7	Very high	89.8	Confident	5 Å²	5	14 Å²	14	2%	0.023	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-63	-29.3	-179.6	-170.1	67.8	-173	0	0	112.3	A162 T267 R268 Y305 D306 M311 H312	A162-E265 WeakPolarHBondContact CB-OE2 3.44Å; E265-T267 VanDerWaalsContact C-N 3.25Å; E265-T267 PolarHBondContact O-N 2.66Å; E265-R268 WeakPolarHBondContact O-CD 3.34Å; E265-R268 WeakPolarHBondContact O-CG 3.41Å; E265-R268 WeakPolarHBondContact OE1-CD 3.39Å; E265-R268 IonicContact OE1-CZ 2.64Å; E265-R268 IonicContact OE1-NE 2.9Å; E265-R268 IonicContact OE1-NH1 3.19Å; E265-R268 PolarHBondContact OE1-NH1 2.95Å; E265-R268 VanDerWaalsContact OE2-CD 3.32Å; E265-R268 WeakPolarHBondContact OE2-CD 3.28Å; E265-R268 IonicContact OE2-NH1 3.8Å; E265-Y305 HydrophobicContact CG-CD1 4.47Å; E265-Y305 HydrophobicContact CG-CE1 4.06Å; E265-Y305 HydrophobicContact CG-CE2 4.22Å; E265-Y305 WeakPolarHBondContact O-CE2 3.18Å; E265-Y305 PolarHBondContact O-OH 2.9Å; E265-Y305 WeakPolarHBondContact OE1-CA 3.45Å; E265-D306 PolarHBondContact OE1-N 2.84Å; E265-M311 PolarHBondContact N-O 3.4Å; E265-M311 VanDerWaalsContact N-O 3.15Å; E265-H312 HydrophobicContact CB-CB 4.09Å
266	H	88.4	Confident	89.8	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-80	3.5	173.2	78	-78.1	0	0	0	114.2	H264 R271 N289 Y313 I327	H264-H266 WeakPolarHBondContact CB-CE1 3.49Å; H264-H266 WeakPolarHBondContact CB-ND1 3.28Å; H264-H266 AromaticContact CE1-CE1 3.92Å; H264-H266 AromaticContact CG-CE1 3.65Å; H264-H266 AromaticContact ND1-CE1 3.89Å; H264-H266 PolarHBondContact O-N 3.18Å; H266-R271 WeakPolarHBondContact O-CD 3.4Å; H266-R271 PolarHBondContact O-NH1 2.84Å; H266-N289 PolarHBondContact NE2-O 2.04Å; H266-Y313 AromaticContact CE1-CD1 3.73Å; H266-Y313 AromaticContact CE1-CD2 3.07Å; H266-Y313 WeakPolarHBondContact CE1-CD2 3.44Å; H266-Y313 AromaticContact CE1-CE2 3.46Å; H266-Y313 VanDerWaalsContact CE1-CE2 3.46Å; H266-Y313 WeakPolarHBondContact CE1-CE2 3.04Å; H266-Y313 AromaticContact CE1-CG 3.23Å; H266-Y313 AromaticContact ND1-CD2 3.78Å; H266-Y313 AromaticContact ND1-CG 3.52Å; H266-Y313 AromaticContact NE2-CD2 3.43Å; H266-Y313 WeakPolarHBondContact NE2-CD2 3.44Å; H266-Y313 AromaticContact NE2-CE2 3.76Å; H266-I327 HydrophobicContact CB-CD1 3.92Å
267	T	86.1	Confident	89.6	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-102.3	-1.9	174.2	65.6	0	0	0	0	113.3	H264 E265 K292 M293	H264-T267 HydrophobicContact CB-CG2 3.89Å; H264-T267 PolarHBondContact O-N 2.88Å; H264-T267 PolarHBondContact O-OG1 2.97Å; E265-T267 VanDerWaalsContact C-N 3.25Å; E265-T267 PolarHBondContact O-N 2.66Å; T267-K292 CarbonylContact O-C 3.51Å; T267-K292 WeakPolarHBondContact O-CA 3.47Å; T267-M293 PolarHBondContact O-N 2.79Å
268	R	85.1	Confident	89.4	Confident	1 Å²	1	21.2 Å²	21.2	0%	0.004	11%	0.114	C	C	.	.			trans	-55.3	143.1	-179.6	-64.6	175.2	56.1	141.8	-10.7	113	P160 R161 A162 E265 D270 R271 K292 S300 A304	P160-R268 VanDerWaalsContact CB-NH2 3.28Å; R161-R268 WeakPolarHBondContact O-CB 3.4Å; R161-R268 WeakPolarHBondContact O-CG 3.43Å; A162-R268 HydrophobicContact CB-CG 3.86Å; E265-R268 WeakPolarHBondContact O-CD 3.34Å; E265-R268 WeakPolarHBondContact O-CG 3.41Å; E265-R268 WeakPolarHBondContact OE1-CD 3.39Å; E265-R268 IonicContact OE1-CZ 2.64Å; E265-R268 IonicContact OE1-NE 2.9Å; E265-R268 IonicContact OE1-NH1 3.19Å; E265-R268 PolarHBondContact OE1-NH1 2.95Å; E265-R268 VanDerWaalsContact OE2-CD 3.32Å; E265-R268 WeakPolarHBondContact OE2-CD 3.28Å; E265-R268 IonicContact OE2-NH1 3.8Å; R268-D270 WeakPolarHBondContact CB-OD1 3.26Å; R268-D270 IonicContact CZ-OD2 3.8Å; R268-D270 IonicContact NE-OD1 2.73Å; R268-D270 PolarHBondContact NE-OD1 2.87Å; R268-D270 IonicContact NE-OD2 3.46Å; R268-D270 PolarHBondContact NE-OD2 2.85Å; R268-D270 IonicContact NH2-OD1 3.52Å; R268-D270 IonicContact NH2-OD2 3.34Å; R268-D270 PolarHBondContact NH2-OD2 3.38Å; R268-D270 PolarHBondContact O-N 2.94Å; R268-R271 HydrophobicContact CB-CB 4.15Å; R268-R271 WeakPolarHBondContact O-CB 3.28Å; R268-R271 WeakPolarHBondContact O-CG 3.31Å; R268-R271 PolarHBondContact O-N 3.37Å; R268-K292 WeakPolarHBondContact O-CD 3.41Å; R268-S300 PolarHBondContact NH1-OG 2.9Å; R268-S300 VanDerWaalsContact NH1-OG 3.15Å; R268-S300 PolarHBondContact NH2-OG 2.03Å; R268-A304 PolarHBondContact NH1-O 2.91Å; R268-A304 PolarHBondContact NH2-O 3.11Å
269	P	84.1	Confident	89.2	Confident	22 Å²	22	26.6 Å²	26.6	14%	0.143	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34	176.7	-20.3	31.5	0	0	0	113.4	R161 K292 V298	R161-P269 HydrophobicContact CB-CG 3.96Å; R161-P269 WeakPolarHBondContact O-CD 3.49Å; P269-K292 PolarHBondContact O-NZ 3.37Å; P269-V298 HydrophobicContact CG-CG1 3.65Å
270	D	85.1	Confident	89	Confident	23 Å²	23	32.7 Å²	32.7	12%	0.123	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.6	-179.1	56.2	-57.6	0	0	0	114.3	P160 R161 R268 D272 D273	P160-D270 WeakPolarHBondContact CA-OD2 3.06Å; P160-D270 WeakPolarHBondContact CB-OD2 3.42Å; R161-D270 PolarHBondContact N-OD1 2.8Å; R268-D270 WeakPolarHBondContact CB-OD1 3.26Å; R268-D270 IonicContact CZ-OD2 3.8Å; R268-D270 IonicContact NE-OD1 2.73Å; R268-D270 PolarHBondContact NE-OD1 2.87Å; R268-D270 IonicContact NE-OD2 3.46Å; R268-D270 PolarHBondContact NE-OD2 2.85Å; R268-D270 IonicContact NH2-OD1 3.52Å; R268-D270 IonicContact NH2-OD2 3.34Å; R268-D270 PolarHBondContact NH2-OD2 3.38Å; R268-D270 PolarHBondContact O-N 2.94Å; D270-D272 PolarHBondContact O-N 2.8Å; D270-D273 PolarHBondContact O-N 3.01Å; D270-D273 VanDerWaalsContact O-N 3.16Å
271	R	88.8	Confident	88.8	Confident	6 Å²	6	34 Å²	34	2%	0.023	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-52.5	-30	-173.2	80.3	-177.5	-175.1	-163.9	-4.8	114.7	H266 R268 D273 H274 V275 F290 L291 K292 Y305	H266-R271 WeakPolarHBondContact O-CD 3.4Å; H266-R271 PolarHBondContact O-NH1 2.84Å; R268-R271 HydrophobicContact CB-CB 4.15Å; R268-R271 WeakPolarHBondContact O-CB 3.28Å; R268-R271 WeakPolarHBondContact O-CG 3.31Å; R268-R271 PolarHBondContact O-N 3.37Å; R271-D273 PolarHBondContact O-N 3.33Å; R271-H274 CarbonylContact O-C 3.59Å; R271-H274 WeakPolarHBondContact O-CA 3.11Å; R271-H274 WeakPolarHBondContact O-CB 3.27Å; R271-H274 PolarHBondContact O-N 3.31Å; R271-V275 HydrophobicContact CB-CG2 3.92Å; R271-V275 HydrophobicContact CG-CG2 4.09Å; R271-V275 WeakPolarHBondContact O-CG2 3.28Å; R271-V275 PolarHBondContact O-N 2.72Å; R271-F290 VanDerWaalsContact CZ-O 3.3Å; R271-F290 PolarHBondContact NH1-O 2.81Å; R271-F290 PolarHBondContact NH2-O 3.43Å; R271-L291 PolarHBondContact NH1-O 3.06Å; R271-L291 VanDerWaalsContact NH1-O 3.15Å; R271-K292 HydrophobicContact CG-CD 4.01Å; R271-Y305 HydrophobicContact CB-CE2 3.72Å
272	D	89.6	Confident	88.6	Confident	84 Å²	84	34 Å²	34	45%	0.449	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-73.5	-9.3	-169.8	-52.1	-39.3	0	0	0	111.5	D270 H274 K292	D270-D272 PolarHBondContact O-N 2.8Å; D272-H274 VanDerWaalsContact C-N 3.31Å; D272-K292 WeakPolarHBondContact OD2-CD 3.25Å; D272-K292 WeakPolarHBondContact OD2-CE 3.34Å; D272-K292 IonicContact OD2-NZ 2.65Å; D272-K292 PolarHBondContact OD2-NZ 2.79Å
273	D	89.2	Confident	88	Confident	87 Å²	87	37.8 Å²	37.8	47%	0.465	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-77.7	-14.4	165	-68.7	-47.2	0	0	0	112.9	R158 D270 R271	R158-D273 IonicContact CZ-OD1 2.75Å; R158-D273 IonicContact CZ-OD2 2.68Å; R158-D273 IonicContact NH1-OD1 3.35Å; R158-D273 PolarHBondContact NH1-OD1 3.18Å; R158-D273 IonicContact NH1-OD2 3.47Å; R158-D273 PolarHBondContact NH1-OD2 3.3Å; D270-D273 PolarHBondContact O-N 3.01Å; D270-D273 VanDerWaalsContact O-N 3.16Å; R271-D273 PolarHBondContact O-N 3.33Å
274	H	89.5	Confident	87.5	Confident	54 Å²	54	43 Å²	43	25%	0.25	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-33	-168.2	-59.5	-75.1	0	0	0	114.1	R271 D272 Y305 F307 S330	R271-H274 CarbonylContact O-C 3.59Å; R271-H274 WeakPolarHBondContact O-CA 3.11Å; R271-H274 WeakPolarHBondContact O-CB 3.27Å; R271-H274 PolarHBondContact O-N 3.31Å; D272-H274 VanDerWaalsContact C-N 3.31Å; H274-Y305 HydrophobicContact CB-CD1 3.75Å; H274-Y305 HydrophobicContact CB-CD2 3.73Å; H274-Y305 HydrophobicContact CB-CE1 4.09Å; H274-Y305 HydrophobicContact CB-CE2 4.07Å; H274-Y305 HydrophobicContact CB-CG 3.58Å; H274-Y305 AromaticContact CD2-CD2 3.57Å; H274-Y305 AromaticContact CD2-CG 3.71Å; H274-Y305 VanDerWaalsContact CG-CB 3.5Å; H274-Y305 AromaticContact CG-CD2 3.72Å; H274-Y305 AromaticContact CG-CG 3.49Å; H274-Y305 VanDerWaalsContact CG-CG 3.49Å; H274-F307 HydrophobicContact CB-CE1 4.26Å; H274-F307 HydrophobicContact CB-CZ 3.95Å; H274-F307 WeakPolarHBondContact O-CE1 3.35Å; H274-S330 WeakPolarHBondContact O-CB 3.27Å; H274-S330 PolarHBondContact O-N 3.47Å; H274-S330 PolarHBondContact O-OG 3.13Å
275	V	91.8	Very high	86.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.4	179.8	-63.6	0	0	0	0	111	R271 I277 Y305 F307 I327	R271-V275 HydrophobicContact CB-CG2 3.92Å; R271-V275 HydrophobicContact CG-CG2 4.09Å; R271-V275 WeakPolarHBondContact O-CG2 3.28Å; R271-V275 PolarHBondContact O-N 2.72Å; V275-I277 HydrophobicContact CG2-CD1 4.37Å; V275-Y305 HydrophobicContact CG1-CE1 4Å; V275-Y305 WeakPolarHBondContact CG1-OH 3.35Å; V275-F307 HydrophobicContact CG1-CD1 4.49Å; V275-F307 HydrophobicContact CG1-CE1 4.01Å; V275-I327 HydrophobicContact CB-CG2 3.83Å; V275-I327 HydrophobicContact CG1-CG2 4.03Å; V275-I327 HydrophobicContact CG2-CG2 4.26Å
276	T	91.8	Very high	86.2	Confident	84 Å²	84	47.4 Å²	47.4	52%	0.515	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.4	171.8	-58.7	0	0	0	0	109.7	L328	T276-L328 PolarHBondContact N-O 2.69Å; T276-L328 PolarHBondContact O-N 3.42Å
277	I	91.3	Very high	85.6	Confident	24 Å²	24	50.7 Å²	50.7	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.9	173.9	-53.9	-51.9	0	0	0	109.6	V275 R279 I282 F290 T326 I327	V275-I277 HydrophobicContact CG2-CD1 4.37Å; I277-R279 HydrophobicContact CG2-CG 4.25Å; I277-R279 PolarHBondContact O-N 3.49Å; I277-I282 HydrophobicContact CG2-CD1 4.04Å; I277-F290 HydrophobicContact CD1-CD1 4.23Å; I277-F290 HydrophobicContact CG2-CB 3.88Å; I277-F290 HydrophobicContact CG2-CD1 4.05Å; I277-F290 HydrophobicContact CG2-CG 4.13Å; I277-T326 CarbonylContact C-O 3.59Å; I277-T326 WeakPolarHBondContact CA-O 3.1Å; I277-I327 HydrophobicContact CD1-CB 4.43Å; I277-I327 HydrophobicContact CD1-CG1 4.06Å; I277-I327 HydrophobicContact CD1-CG2 4.06Å
278	I	89.3	Confident	85.1	Confident	45 Å²	45	54.6 Å²	54.6	23%	0.231	29%	0.291	C	S	.	.			trans	-87.9	87	179.9	-55	169.1	0	0	0	108.4	D280 N281 D325 T326 L328	I278-D280 PolarHBondContact O-N 2.89Å; I278-N281 HydrophobicContact CB-CB 4.41Å; I278-N281 HydrophobicContact CG2-CB 4.06Å; I278-N281 WeakPolarHBondContact CG2-ND2 3.31Å; I278-N281 PolarHBondContact O-N 2.58Å; I278-D325 WeakPolarHBondContact CB-O 2.93Å; I278-D325 HydrophobicContact CD1-CB 4.23Å; I278-T326 PolarHBondContact N-O 3.44Å; I278-L328 HydrophobicContact CD1-CB 4Å; I278-L328 HydrophobicContact CD1-CD2 4.16Å
279	R	87.4	Confident	84.6	Confident	114 Å²	114	54.6 Å²	54.6	43%	0.43	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-58.7	-33.3	-176.8	-66.2	-173	176.3	-80.4	-0.9	113	I277 N281 I282	I277-R279 HydrophobicContact CG2-CG 4.25Å; I277-R279 PolarHBondContact O-N 3.49Å; R279-N281 PolarHBondContact O-N 2.83Å; R279-N281 VanDerWaalsContact O-N 3.09Å; R279-I282 HydrophobicContact CB-CD1 4.38Å; R279-I282 HydrophobicContact CG-CD1 4.22Å; R279-I282 PolarHBondContact O-N 3.15Å; R279-I282 VanDerWaalsContact O-N 3.1Å
280	D	88.8	Confident	84.5	Confident	128 Å²	128	53.5 Å²	53.5	68%	0.684	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-69.7	-0.6	176.7	-58.3	-48.6	0	0	0	114.4	I278 R320	I278-D280 PolarHBondContact O-N 2.89Å; D280-R320 VanDerWaalsContact C-CZ 3.5Å; D280-R320 PolarHBondContact O-NE 3.15Å; D280-R320 PolarHBondContact O-NH1 2.65Å
281	N	89.1	Confident	84.3	Confident	28 Å²	28	56 Å²	56	15%	0.15	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-110.9	-7.9	171.3	-71.8	-16	0	0	0	113.5	I278 R279 S319 R320 L324 D325 T326	I278-N281 HydrophobicContact CB-CB 4.41Å; I278-N281 HydrophobicContact CG2-CB 4.06Å; I278-N281 WeakPolarHBondContact CG2-ND2 3.31Å; I278-N281 PolarHBondContact O-N 2.58Å; R279-N281 PolarHBondContact O-N 2.83Å; R279-N281 VanDerWaalsContact O-N 3.09Å; N281-S319 CarbonylContact O-C 3.36Å; N281-S319 WeakPolarHBondContact O-CA 3.44Å; N281-S319 PolarHBondContact O-OG 3.12Å; N281-R320 WeakPolarHBondContact O-CG 3.32Å; N281-R320 PolarHBondContact O-N 3.34Å; N281-L324 HydrophobicContact CB-CB 4.08Å; N281-D325 VanDerWaalsContact CB-O 3.26Å; N281-D325 WeakPolarHBondContact CB-O 2.98Å; N281-D325 PolarHBondContact ND2-O 2.81Å; N281-T326 HydrophobicContact CB-CG2 4.26Å
282	I	84.8	Confident	84	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-74.1	148.3	-179.7	-54.6	169.5	0	0	0	110.1	I277 R279 Q286 E287 F290 R320 T326	I277-I282 HydrophobicContact CG2-CD1 4.04Å; R279-I282 HydrophobicContact CB-CD1 4.38Å; R279-I282 HydrophobicContact CG-CD1 4.22Å; R279-I282 PolarHBondContact O-N 3.15Å; R279-I282 VanDerWaalsContact O-N 3.1Å; I282-Q286 HydrophobicContact CG2-CB 3.98Å; I282-E287 HydrophobicContact CB-CG 4.46Å; I282-E287 HydrophobicContact CD1-CG 4.44Å; I282-E287 HydrophobicContact CG2-CG 4.22Å; I282-F290 HydrophobicContact CD1-CB 4.32Å; I282-F290 HydrophobicContact CD1-CD2 3.58Å; I282-F290 HydrophobicContact CD1-CE2 3.97Å; I282-F290 HydrophobicContact CD1-CG 3.92Å; I282-F290 HydrophobicContact CG1-CD2 4.19Å; I282-F290 HydrophobicContact CG1-CE2 4.05Å; I282-F290 HydrophobicContact CG1-CZ 4.47Å; I282-F290 HydrophobicContact CG2-CD2 4.17Å; I282-F290 HydrophobicContact CG2-CE2 3.79Å; I282-R320 VanDerWaalsContact O-CZ 3.25Å; I282-R320 PolarHBondContact O-NE 2.8Å; I282-R320 PolarHBondContact O-NH2 2.88Å; I282-T326 HydrophobicContact CB-CG2 4.39Å; I282-T326 HydrophobicContact CG1-CG2 3.83Å
283	Q	79.8	Confident	83.5	Confident	82 Å²	82	55.7 Å²	55.7	38%	0.383	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.8	136.2	169.9	-70.1	173	17.5	0	0	111.2	G285 Q286 F318 S319 R320	Q283-G285 PolarHBondContact O-N 3.13Å; Q283-Q286 HydrophobicContact CB-CB 4.23Å; Q283-Q286 HydrophobicContact CB-CG 3.94Å; Q283-Q286 WeakPolarHBondContact O-CB 3.44Å; Q283-Q286 PolarHBondContact O-N 3.1Å; Q283-F318 WeakPolarHBondContact CG-O 3.29Å; Q283-F318 PolarHBondContact N-O 3.42Å; Q283-S319 WeakPolarHBondContact CG-O 3.41Å; Q283-S319 PolarHBondContact NE2-O 2.94Å; Q283-R320 HydrophobicContact CG-CB 4.39Å
284	P	78.3	Confident	82.7	Confident	113 Å²	113	57.5 Å²	57.5	73%	0.734	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	126.4	178.6	-26.3	35	0	0	0	112.5
285	G	73.9	Confident	81.6	Confident	49 Å²	49	57.8 Å²	57.8	51%	0.505	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-2.8	-177.4	0	0	0	0	0	114.7	Q283 E287 Y288	Q283-G285 PolarHBondContact O-N 3.13Å; G285-E287 VanDerWaalsContact C-OE2 3.27Å; G285-E287 WeakPolarHBondContact CA-OE2 3.28Å; G285-E287 PolarHBondContact N-OE1 3.35Å; G285-E287 PolarHBondContact N-OE2 2.79Å; G285-Y288 VanDerWaalsContact O-CD1 3.25Å; G285-Y288 WeakPolarHBondContact O-CD1 3.42Å; G285-Y288 WeakPolarHBondContact O-CE1 3.29Å
286	Q	77.8	Confident	80.4	Confident	50 Å²	50	60.5 Å²	60.5	23%	0.234	33%	0.332	C	S	.	.			trans	-102.5	9.8	176.4	-61.4	-63.5	-19.4	0	0	113.4	I282 Q283 Y288 N289 F290 F318	I282-Q286 HydrophobicContact CG2-CB 3.98Å; Q283-Q286 HydrophobicContact CB-CB 4.23Å; Q283-Q286 HydrophobicContact CB-CG 3.94Å; Q283-Q286 WeakPolarHBondContact O-CB 3.44Å; Q283-Q286 PolarHBondContact O-N 3.1Å; Q286-Y288 PolarHBondContact O-N 2.88Å; Q286-Y288 PolarHBondContact OE1-OH 2.96Å; Q286-N289 PolarHBondContact O-N 2.87Å; Q286-N289 PolarHBondContact O-ND2 3.43Å; Q286-N289 PolarHBondContact OE1-ND2 2.78Å; Q286-F290 WeakPolarHBondContact O-CD2 3.48Å; Q286-F318 HydrophobicContact CB-CB 3.95Å; Q286-F318 HydrophobicContact CB-CD1 4.16Å; Q286-F318 HydrophobicContact CB-CG 4.11Å; Q286-F318 HydrophobicContact CG-CB 4.46Å; Q286-F318 HydrophobicContact CG-CD1 3.97Å; Q286-F318 HydrophobicContact CG-CG 4.42Å
287	E	76.9	Confident	79.2	Confident	68 Å²	68	57.7 Å²	57.7	32%	0.318	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-70	-18.9	-176.8	-59	83.2	175.6	0	0	113.6	I282 G285 F290	I282-E287 HydrophobicContact CB-CG 4.46Å; I282-E287 HydrophobicContact CD1-CG 4.44Å; I282-E287 HydrophobicContact CG2-CG 4.22Å; G285-E287 VanDerWaalsContact C-OE2 3.27Å; G285-E287 WeakPolarHBondContact CA-OE2 3.28Å; G285-E287 PolarHBondContact N-OE1 3.35Å; G285-E287 PolarHBondContact N-OE2 2.79Å; E287-F290 PolarHBondContact O-N 2.9Å
288	Y	74.6	Confident	78.3	Confident	83 Å²	83	56.6 Å²	56.6	33%	0.325	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-66.1	-35.6	179.1	68.3	-89.2	0	0	0	112.3	F63 G285 Q286 F290 L291	F63-Y288 WeakPolarHBondContact O-CD2 3.36Å; F63-Y288 WeakPolarHBondContact O-CE2 3.41Å; G285-Y288 VanDerWaalsContact O-CD1 3.25Å; G285-Y288 WeakPolarHBondContact O-CD1 3.42Å; G285-Y288 WeakPolarHBondContact O-CE1 3.29Å; Q286-Y288 PolarHBondContact O-N 2.88Å; Q286-Y288 PolarHBondContact OE1-OH 2.96Å; Y288-F290 PolarHBondContact O-N 3.44Å; Y288-L291 WeakPolarHBondContact O-CB 3.33Å; Y288-L291 WeakPolarHBondContact O-CG 3.42Å; Y288-L291 PolarHBondContact O-N 3.09Å
289	N	74	Confident	77.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.2	-13.3	175.5	-52.7	-70.5	0	0	0	113.7	G65 H266 Q286 F318	G65-N289 WeakPolarHBondContact CA-OD1 3.23Å; G65-N289 PolarHBondContact N-OD1 2.79Å; H266-N289 PolarHBondContact NE2-O 2.04Å; Q286-N289 PolarHBondContact O-N 2.87Å; Q286-N289 PolarHBondContact O-ND2 3.43Å; Q286-N289 PolarHBondContact OE1-ND2 2.78Å; N289-F318 HydrophobicContact CB-CD2 3.85Å; N289-F318 HydrophobicContact CB-CE2 3.75Å; N289-F318 VanDerWaalsContact CG-CE2 3.45Å
290	F	83.4	Confident	76.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-117.5	17.6	-179.7	-51.7	-94.2	0	0	0	112.8	R271 I277 I282 Q286 E287 Y288 T317 F318 T326 I327	R271-F290 VanDerWaalsContact CZ-O 3.3Å; R271-F290 PolarHBondContact NH1-O 2.81Å; R271-F290 PolarHBondContact NH2-O 3.43Å; I277-F290 HydrophobicContact CD1-CD1 4.23Å; I277-F290 HydrophobicContact CG2-CB 3.88Å; I277-F290 HydrophobicContact CG2-CD1 4.05Å; I277-F290 HydrophobicContact CG2-CG 4.13Å; I282-F290 HydrophobicContact CD1-CB 4.32Å; I282-F290 HydrophobicContact CD1-CD2 3.58Å; I282-F290 HydrophobicContact CD1-CE2 3.97Å; I282-F290 HydrophobicContact CD1-CG 3.92Å; I282-F290 HydrophobicContact CG1-CD2 4.19Å; I282-F290 HydrophobicContact CG1-CE2 4.05Å; I282-F290 HydrophobicContact CG1-CZ 4.47Å; I282-F290 HydrophobicContact CG2-CD2 4.17Å; I282-F290 HydrophobicContact CG2-CE2 3.79Å; Q286-F290 WeakPolarHBondContact O-CD2 3.48Å; E287-F290 PolarHBondContact O-N 2.9Å; Y288-F290 PolarHBondContact O-N 3.44Å; F290-T317 WeakPolarHBondContact CZ-O 3.01Å; F290-F318 HydrophobicContact CE2-CB 3.91Å; F290-F318 AromaticContact CE2-CD2 3.99Å; F290-F318 HydrophobicContact CE2-CD2 3.99Å; F290-F318 HydrophobicContact CE2-CG 4.39Å; F290-F318 HydrophobicContact CZ-CB 4.02Å; F290-F318 HydrophobicContact CZ-CD2 4.06Å; F290-T326 HydrophobicContact CZ-CG2 4.47Å; F290-I327 HydrophobicContact CD1-CD1 4.44Å; F290-I327 HydrophobicContact CD1-CG1 4.23Å; F290-I327 HydrophobicContact CE1-CD1 3.99Å; F290-I327 HydrophobicContact CE1-CG1 3.77Å
291	L	80.9	Confident	76.5	Confident	75 Å²	75	48 Å²	48	39%	0.393	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.5	164.3	162.8	-66.6	172.6	0	0	0	110.1	W64 R271 Y288	W64-L291 HydrophobicContact CH2-CB 3.84Å; W64-L291 HydrophobicContact CH2-CD1 4.05Å; W64-L291 HydrophobicContact CZ2-CB 3.36Å; W64-L291 HydrophobicContact CZ2-CD1 4.32Å; W64-L291 HydrophobicContact CZ2-CG 4.48Å; W64-L291 HydrophobicContact CZ3-CD1 4.45Å; R271-L291 PolarHBondContact NH1-O 3.06Å; R271-L291 VanDerWaalsContact NH1-O 3.15Å; Y288-L291 WeakPolarHBondContact O-CB 3.33Å; Y288-L291 WeakPolarHBondContact O-CG 3.42Å; Y288-L291 PolarHBondContact O-N 3.09Å
292	K	82.6	Confident	75.8	Confident	80 Å²	80	49.7 Å²	49.7	35%	0.348	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-100.9	144.4	175.9	-64.2	-165.9	-58.1	-177.7	0	109.2	T267 R268 P269 R271 D272	T267-K292 CarbonylContact O-C 3.51Å; T267-K292 WeakPolarHBondContact O-CA 3.47Å; R268-K292 WeakPolarHBondContact O-CD 3.41Å; P269-K292 PolarHBondContact O-NZ 3.37Å; R271-K292 HydrophobicContact CG-CD 4.01Å; D272-K292 WeakPolarHBondContact OD2-CD 3.25Å; D272-K292 WeakPolarHBondContact OD2-CE 3.34Å; D272-K292 IonicContact OD2-NZ 2.65Å; D272-K292 PolarHBondContact OD2-NZ 2.79Å
293	M	78.3	Confident	75.7	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.02	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.7	147.3	171.9	-65.4	-51	-62.3	0	0	110.6	W64 F77 W263 T267 E297 V298	W64-M293 HydrophobicContact CZ2-SD 4Å; F77-M293 HydrophobicContact CE1-CE 3.95Å; F77-M293 HydrophobicContact CZ-CE 4.03Å; W263-M293 HydrophobicContact CD2-CE 3.89Å; W263-M293 HydrophobicContact CD2-CG 4.17Å; W263-M293 HydrophobicContact CD2-SD 4.18Å; W263-M293 HydrophobicContact CE3-CE 3.75Å; W263-M293 HydrophobicContact CE3-CG 4.23Å; W263-M293 HydrophobicContact CE3-SD 3.73Å; W263-M293 HydrophobicContact CG-CG 4.3Å; W263-M293 HydrophobicContact CH2-CE 3.52Å; W263-M293 HydrophobicContact CH2-SD 4.46Å; W263-M293 HydrophobicContact CZ2-CE 3.61Å; W263-M293 HydrophobicContact CZ3-CE 3.57Å; W263-M293 HydrophobicContact CZ3-SD 3.9Å; T267-M293 PolarHBondContact O-N 2.79Å; M293-E297 HydrophobicContact CE-CB 4.38Å; M293-V298 HydrophobicContact CB-CB 4.11Å; M293-V298 HydrophobicContact CB-CG1 3.7Å
294	E	72.9	Confident	76.1	Confident	124 Å²	124	51.2 Å²	51.2	58%	0.579	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-68.8	139.4	-179.9	-89.2	-62.8	117	0	0	112	G296 E297	E294-G296 PolarHBondContact O-N 2.91Å; E294-E297 HydrophobicContact CB-CG 4.24Å; E294-E297 PolarHBondContact O-N 3.39Å
295	P	66.4	Low	76.5	Confident	61 Å²	61	46.6 Å²	46.6	40%	0.396	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-21.5	176.4	-38.1	40.6	0	0	0	118.5	R161	R161-P295 PolarHBondContact NH1-O 3.13Å
296	G	65.3	Low	77.3	Confident	58 Å²	58	45.7 Å²	45.7	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-15.5	177.4	0	0	0	0	0	115.5	S165 E294	S165-G296 WeakPolarHBondContact CB-O 3.33Å; S165-G296 PolarHBondContact OG-O 3.16Å; E294-G296 PolarHBondContact O-N 2.91Å
297	E	66.6	Low	77.9	Confident	25 Å²	25	45.1 Å²	45.1	12%	0.117	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-12.1	-168.8	-68.2	-67.7	146.5	0	0	113.7	F77 S165 R166 W263 M293 E294	F77-E297 HydrophobicContact CD1-CG 4.31Å; F77-E297 HydrophobicContact CE1-CG 3.87Å; S165-E297 PolarHBondContact N-O 3.33Å; S165-E297 VanDerWaalsContact OG-CA 3.24Å; S165-E297 WeakPolarHBondContact OG-CA 3.42Å; S165-E297 PolarHBondContact OG-O 3.45Å; R166-E297 WeakPolarHBondContact CD-OE2 3.35Å; R166-E297 IonicContact CZ-OE1 2.92Å; R166-E297 IonicContact CZ-OE2 3.38Å; R166-E297 VanDerWaalsContact NE-CD 3.33Å; R166-E297 IonicContact NE-OE1 3.86Å; R166-E297 PolarHBondContact NE-OE1 3.17Å; R166-E297 VanDerWaalsContact NE-OE1 3.16Å; R166-E297 IonicContact NE-OE2 3.16Å; R166-E297 PolarHBondContact NE-OE2 3.46Å; R166-E297 IonicContact NH2-OE1 3.78Å; R166-E297 PolarHBondContact NH2-OE1 3.5Å; R166-E297 IonicContact NH2-OE2 2.76Å; R166-E297 PolarHBondContact NH2-OE2 2.9Å; W263-E297 PolarHBondContact NE1-O 2.81Å; M293-E297 HydrophobicContact CE-CB 4.38Å; E294-E297 HydrophobicContact CB-CG 4.24Å; E294-E297 PolarHBondContact O-N 3.39Å
298	V	73.9	Confident	78.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146.3	-164.3	66.7	0	0	0	0	112.7	R161 A162 A163 W263 P269 M293	R161-V298 HydrophobicContact CB-CG1 4.01Å; R161-V298 WeakPolarHBondContact CB-O 3.3Å; R161-V298 WeakPolarHBondContact CD-O 3.4Å; R161-V298 WeakPolarHBondContact CG-O 3.41Å; R161-V298 WeakPolarHBondContact O-CG2 3.37Å; A162-V298 VanDerWaalsContact CA-CG2 3.43Å; A162-V298 WeakPolarHBondContact O-CG2 3.42Å; A163-V298 CarbonylContact O-C 3.52Å; A163-V298 WeakPolarHBondContact O-CA 3.41Å; W263-V298 HydrophobicContact CG-CG2 4.45Å; P269-V298 HydrophobicContact CG-CG1 3.65Å; M293-V298 HydrophobicContact CB-CB 4.11Å; M293-V298 HydrophobicContact CB-CG1 3.7Å
299	N	75.9	Confident	79.4	Confident	58 Å²	58	40.7 Å²	40.7	31%	0.31	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	116.6	-164.4	-173.5	-2.7	0	0	0	112.9	A162 A163 L301	A162-N299 VanDerWaalsContact N-C 3.32Å; A163-N299 WeakPolarHBondContact CA-O 3.37Å; A163-N299 WeakPolarHBondContact CB-O 3.34Å; A163-N299 PolarHBondContact N-O 2.9Å; A163-N299 PolarHBondContact O-N 3.29Å; N299-L301 VanDerWaalsContact C-N 3.26Å; N299-L301 WeakPolarHBondContact ND2-CD2 3.26Å; N299-L301 PolarHBondContact O-N 2.95Å; N299-L301 PolarHBondContact OD1-N 2.9Å
300	S	71.4	Confident	80.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.246	C	C	.	.			trans	-84	-3.5	-179.9	-64.3	0	0	0	0	112.2	P160 R161 A162 R268 G302 E303	P160-S300 WeakPolarHBondContact O-CB 3.42Å; P160-S300 PolarHBondContact O-N 2.85Å; P160-S300 PolarHBondContact O-OG 3.17Å; R161-S300 VanDerWaalsContact CA-N 3.33Å; R161-S300 WeakPolarHBondContact CA-OG 3.14Å; R161-S300 PolarHBondContact N-OG 2.81Å; R161-S300 VanDerWaalsContact N-OG 3.09Å; A162-S300 WeakPolarHBondContact CB-OG 3.48Å; A162-S300 VanDerWaalsContact N-N 3.17Å; A162-S300 PolarHBondContact N-OG 2.81Å; R268-S300 PolarHBondContact NH1-OG 2.9Å; R268-S300 VanDerWaalsContact NH1-OG 3.15Å; R268-S300 PolarHBondContact NH2-OG 2.03Å; S300-G302 PolarHBondContact O-N 2.94Å; S300-G302 VanDerWaalsContact O-N 3.1Å; S300-E303 WeakPolarHBondContact O-CB 3.12Å; S300-E303 WeakPolarHBondContact O-CG 3.38Å; S300-E303 PolarHBondContact O-N 2.88Å
301	L	78.8	Confident	80.6	Confident	49 Å²	49	40.7 Å²	40.7	26%	0.257	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	29.4	-177.2	-51.5	165.9	0	0	0	111.8	N299 Q353 K356 L357	N299-L301 VanDerWaalsContact C-N 3.26Å; N299-L301 WeakPolarHBondContact ND2-CD2 3.26Å; N299-L301 PolarHBondContact O-N 2.95Å; N299-L301 PolarHBondContact OD1-N 2.9Å; L301-Q353 HydrophobicContact CD1-CG 4.41Å; L301-K356 HydrophobicContact CB-CB 3.83Å; L301-K356 HydrophobicContact CB-CD 3.84Å; L301-K356 HydrophobicContact CB-CG 4.5Å; L301-K356 HydrophobicContact CD1-CB 3.68Å; L301-K356 HydrophobicContact CG-CB 4.36Å; L301-K356 VanDerWaalsContact O-CD 3.27Å; L301-K356 WeakPolarHBondContact O-CD 3.05Å; L301-K356 WeakPolarHBondContact O-CE 3.35Å; L301-K356 PolarHBondContact O-NZ 2.76Å; L301-L357 VanDerWaalsContact CD1-CA 3.47Å; L301-L357 HydrophobicContact CD1-CB 3.69Å; L301-L357 HydrophobicContact CD1-CD1 4.25Å; L301-L357 VanDerWaalsContact CD1-N 3.29Å
302	G	75	Confident	81.2	Confident	62 Å²	62	37.1 Å²	37.1	64%	0.639	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	14.5	-176.3	0	0	0	0	0	115.5	S300	S300-G302 PolarHBondContact O-N 2.94Å; S300-G302 VanDerWaalsContact O-N 3.1Å
303	E	83.4	Confident	81.5	Confident	40 Å²	40	33.6 Å²	33.6	19%	0.187	21%	0.212	C	C	.	.			trans	-74.2	153	165.9	-63.4	-51	144	0	0	112.6	S300 A352 Q353 K356	S300-E303 WeakPolarHBondContact O-CB 3.12Å; S300-E303 WeakPolarHBondContact O-CG 3.38Å; S300-E303 PolarHBondContact O-N 2.88Å; E303-A352 HydrophobicContact CG-CB 4.39Å; E303-A352 WeakPolarHBondContact OE1-CB 3.32Å; E303-Q353 HydrophobicContact CG-CB 4.02Å; E303-Q353 HydrophobicContact CG-CG 4.37Å; E303-K356 WeakPolarHBondContact OE1-CD 3.33Å; E303-K356 WeakPolarHBondContact OE1-CE 3.4Å; E303-K356 IonicContact OE1-NZ 3.83Å; E303-K356 PolarHBondContact OE1-NZ 2.79Å
304	A	86.6	Confident	81.9	Confident	74 Å²	74	34.8 Å²	34.8	61%	0.612	22%	0.222	S	C	*	.			trans	-68.1	-178.6	173.1	0	0	0	0	0	112.1	R268	R268-A304 PolarHBondContact NH1-O 2.91Å; R268-A304 PolarHBondContact NH2-O 3.11Å
305	Y	87.8	Confident	82.7	Confident	16 Å²	16	35.5 Å²	35.5	6%	0.063	22%	0.22	C	C	.	.			trans	-79.1	125.9	167.5	-166.9	-80.1	0	0	0	109.4	E265 R271 H274 V275 F307 H312	E265-Y305 HydrophobicContact CG-CD1 4.47Å; E265-Y305 HydrophobicContact CG-CE1 4.06Å; E265-Y305 HydrophobicContact CG-CE2 4.22Å; E265-Y305 WeakPolarHBondContact O-CE2 3.18Å; E265-Y305 PolarHBondContact O-OH 2.9Å; E265-Y305 WeakPolarHBondContact OE1-CA 3.45Å; R271-Y305 HydrophobicContact CB-CE2 3.72Å; H274-Y305 HydrophobicContact CB-CD1 3.75Å; H274-Y305 HydrophobicContact CB-CD2 3.73Å; H274-Y305 HydrophobicContact CB-CE1 4.09Å; H274-Y305 HydrophobicContact CB-CE2 4.07Å; H274-Y305 HydrophobicContact CB-CG 3.58Å; H274-Y305 AromaticContact CD2-CD2 3.57Å; H274-Y305 AromaticContact CD2-CG 3.71Å; H274-Y305 VanDerWaalsContact CG-CB 3.5Å; H274-Y305 AromaticContact CG-CD2 3.72Å; H274-Y305 AromaticContact CG-CG 3.49Å; H274-Y305 VanDerWaalsContact CG-CG 3.49Å; V275-Y305 HydrophobicContact CG1-CE1 4Å; V275-Y305 WeakPolarHBondContact CG1-OH 3.35Å; Y305-F307 AromaticContact CD1-CD1 3.91Å; Y305-F307 HydrophobicContact CD1-CD1 3.91Å; Y305-F307 HydrophobicContact CD1-CD2 4.24Å; Y305-F307 AromaticContact CD1-CE1 3.73Å; Y305-F307 HydrophobicContact CD1-CE1 3.73Å; Y305-F307 HydrophobicContact CD1-CE2 4.07Å; Y305-F307 HydrophobicContact CD1-CG 4.18Å; Y305-F307 AromaticContact CD1-CZ 3.83Å; Y305-F307 HydrophobicContact CD1-CZ 3.83Å; Y305-F307 AromaticContact CE1-CD1 3.74Å; Y305-F307 HydrophobicContact CE1-CD1 3.74Å; Y305-F307 AromaticContact CE1-CE1 3.71Å; Y305-F307 HydrophobicContact CE1-CE1 3.71Å; Y305-F307 HydrophobicContact CE1-CG 4.35Å; Y305-F307 HydrophobicContact CE1-CZ 4.27Å; Y305-H312 AromaticContact CE1-CD2 3.86Å; Y305-H312 AromaticContact CE1-NE2 3.57Å; Y305-H312 AromaticContact CZ-NE2 3.62Å; Y305-H312 PolarHBondContact OH-CD2 2.95Å; Y305-H312 PolarHBondContact OH-NE2 3.47Å
306	D	90.3	Very high	83.6	Confident	30 Å²	30	35.8 Å²	35.8	16%	0.16	22%	0.218	C	C	.	.			trans	-111.6	94.6	-171.9	-166.2	-14.4	0	0	0	112.7	E265 D308 S309 S347 G349	E265-D306 PolarHBondContact OE1-N 2.84Å; D306-D308 PolarHBondContact O-N 2.82Å; D306-D308 WeakPolarHBondContact OD1-CA 3.35Å; D306-D308 PolarHBondContact OD1-N 3.46Å; D306-S309 VanDerWaalsContact O-CB 3.23Å; D306-S309 WeakPolarHBondContact O-CB 3.15Å; D306-S309 PolarHBondContact O-N 3.33Å; D306-S309 VanDerWaalsContact O-N 3.14Å; D306-S309 PolarHBondContact OD1-N 2.92Å; D306-S347 WeakPolarHBondContact OD2-CB 3.33Å; D306-S347 PolarHBondContact OD2-OG 2.84Å; D306-G349 WeakPolarHBondContact OD2-CA 3.4Å; D306-G349 PolarHBondContact OD2-N 3.11Å
307	F	90.8	Very high	84.4	Confident	39 Å²	39	34.8 Å²	34.8	17%	0.171	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.6	176.3	-57.9	-80.7	0	0	0	113.6	H274 V275 Y305 P329 P338 I340	H274-F307 HydrophobicContact CB-CE1 4.26Å; H274-F307 HydrophobicContact CB-CZ 3.95Å; H274-F307 WeakPolarHBondContact O-CE1 3.35Å; V275-F307 HydrophobicContact CG1-CD1 4.49Å; V275-F307 HydrophobicContact CG1-CE1 4.01Å; Y305-F307 AromaticContact CD1-CD1 3.91Å; Y305-F307 HydrophobicContact CD1-CD1 3.91Å; Y305-F307 HydrophobicContact CD1-CD2 4.24Å; Y305-F307 AromaticContact CD1-CE1 3.73Å; Y305-F307 HydrophobicContact CD1-CE1 3.73Å; Y305-F307 HydrophobicContact CD1-CE2 4.07Å; Y305-F307 HydrophobicContact CD1-CG 4.18Å; Y305-F307 AromaticContact CD1-CZ 3.83Å; Y305-F307 HydrophobicContact CD1-CZ 3.83Å; Y305-F307 AromaticContact CE1-CD1 3.74Å; Y305-F307 HydrophobicContact CE1-CD1 3.74Å; Y305-F307 AromaticContact CE1-CE1 3.71Å; Y305-F307 HydrophobicContact CE1-CE1 3.71Å; Y305-F307 HydrophobicContact CE1-CG 4.35Å; Y305-F307 HydrophobicContact CE1-CZ 4.27Å; F307-P329 HydrophobicContact CD1-CB 4.22Å; F307-P329 HydrophobicContact CE1-CB 4.03Å; F307-P338 HydrophobicContact CB-CB 3.92Å; F307-P338 HydrophobicContact CB-CG 4.05Å; F307-P338 HydrophobicContact CD1-CB 4.44Å; F307-P338 HydrophobicContact CD1-CG 3.63Å; F307-P338 HydrophobicContact CD2-CB 4.17Å; F307-P338 HydrophobicContact CD2-CG 3.72Å; F307-P338 HydrophobicContact CE1-CG 3.9Å; F307-P338 HydrophobicContact CE2-CG 3.99Å; F307-P338 HydrophobicContact CG-CB 3.94Å; F307-P338 HydrophobicContact CG-CG 3.52Å; F307-P338 HydrophobicContact CZ-CG 4.07Å; F307-I340 HydrophobicContact CB-CG2 3.87Å; F307-I340 HydrophobicContact CD1-CG2 3.76Å; F307-I340 HydrophobicContact CG-CG2 4.32Å; F307-I340 WeakPolarHBondContact O-CA 3.03Å
308	D	89.7	Confident	85.2	Confident	54 Å²	54	36.4 Å²	36.4	29%	0.289	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5	179	-163.3	51.1	0	0	0	112.6	D306 I310 Q342 R345	D306-D308 PolarHBondContact O-N 2.82Å; D306-D308 WeakPolarHBondContact OD1-CA 3.35Å; D306-D308 PolarHBondContact OD1-N 3.46Å; D308-I310 PolarHBondContact O-N 3.32Å; D308-Q342 VanDerWaalsContact O-CG 3.3Å; D308-Q342 WeakPolarHBondContact O-CG 3.13Å; D308-Q342 PolarHBondContact O-NE2 2.9Å; D308-R345 IonicContact OD1-CZ 2.78Å; D308-R345 IonicContact OD1-NH2 2.71Å; D308-R345 PolarHBondContact OD1-NH2 2.82Å; D308-R345 IonicContact OD2-CZ 2.78Å; D308-R345 IonicContact OD2-NE 2.7Å; D308-R345 PolarHBondContact OD2-NE 2.81Å; D308-R345 IonicContact OD2-NH2 3.17Å; D308-R345 PolarHBondContact OD2-NH2 2.03Å
309	S	92.3	Very high	85.8	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.021	21%	0.211	C	C	.	.			trans	-53.5	134.7	179.7	173.9	0	0	0	0	111.8	D306 M311 H312 D350	D306-S309 VanDerWaalsContact O-CB 3.23Å; D306-S309 WeakPolarHBondContact O-CB 3.15Å; D306-S309 PolarHBondContact O-N 3.33Å; D306-S309 VanDerWaalsContact O-N 3.14Å; D306-S309 PolarHBondContact OD1-N 2.92Å; S309-M311 PolarHBondContact O-N 3.19Å; S309-M311 WeakPolarHBondContact OG-CB 3.48Å; S309-M311 PolarHBondContact OG-N 2.63Å; S309-H312 WeakPolarHBondContact O-CB 3.29Å; S309-H312 PolarHBondContact O-N 3.46Å; S309-H312 VanDerWaalsContact O-N 3.09Å; S309-D350 VanDerWaalsContact CB-OD1 3.31Å; S309-D350 WeakPolarHBondContact CB-OD1 3.29Å; S309-D350 PolarHBondContact OG-OD1 3.32Å
310	I	91.8	Very high	86.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.9	173.1	-149.8	178.9	0	0	0	111.4	G250 V253 H254 D308 H312 R343 R345 L346 D350	G250-I310 WeakPolarHBondContact O-CD1 3.44Å; V253-I310 HydrophobicContact CB-CD1 3.82Å; V253-I310 HydrophobicContact CG1-CD1 3.54Å; H254-I310 HydrophobicContact CB-CD1 4.47Å; H254-I310 HydrophobicContact CB-CG1 4.47Å; H254-I310 PolarHBondContact CE1-O 3.25Å; H254-I310 PolarHBondContact ND1-O 2.96Å; D308-I310 PolarHBondContact O-N 3.32Å; I310-H312 VanDerWaalsContact C-N 3.3Å; I310-H312 PolarHBondContact O-N 2.94Å; I310-R343 PolarHBondContact O-NH1 2.92Å; I310-R345 WeakPolarHBondContact CD1-O 3.39Å; I310-L346 HydrophobicContact CG2-CD2 3.83Å; I310-D350 PolarHBondContact N-OD2 2.89Å
311	M	92.2	Very high	86	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.5	177.8	-51	-48.1	-62	0	0	113.6	H254 H258 F262 H264 E265 S309	H254-M311 WeakPolarHBondContact O-CE 3.44Å; H258-M311 WeakPolarHBondContact CE1-CE 3.48Å; H258-M311 WeakPolarHBondContact ND1-CE 3.36Å; F262-M311 HydrophobicContact CB-CE 4.42Å; F262-M311 HydrophobicContact CB-CG 3.99Å; F262-M311 HydrophobicContact CD2-CG 3.82Å; F262-M311 HydrophobicContact CG-CG 4.44Å; H264-M311 VanDerWaalsContact CA-O 3.27Å; H264-M311 WeakPolarHBondContact CA-O 3.17Å; H264-M311 PolarHBondContact CD2-O 3.26Å; E265-M311 PolarHBondContact N-O 3.4Å; E265-M311 VanDerWaalsContact N-O 3.15Å; S309-M311 PolarHBondContact O-N 3.19Å; S309-M311 WeakPolarHBondContact OG-CB 3.48Å; S309-M311 PolarHBondContact OG-N 2.63Å
312	H	92.6	Very high	85.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-82.1	144.2	174.7	-154.6	-65.2	0	0	0	111.1	E265 Y305 S309 I310 G341 R343	E265-H312 HydrophobicContact CB-CB 4.09Å; Y305-H312 AromaticContact CE1-CD2 3.86Å; Y305-H312 AromaticContact CE1-NE2 3.57Å; Y305-H312 AromaticContact CZ-NE2 3.62Å; Y305-H312 PolarHBondContact OH-CD2 2.95Å; Y305-H312 PolarHBondContact OH-NE2 3.47Å; S309-H312 WeakPolarHBondContact O-CB 3.29Å; S309-H312 PolarHBondContact O-N 3.46Å; S309-H312 VanDerWaalsContact O-N 3.09Å; I310-H312 VanDerWaalsContact C-N 3.3Å; I310-H312 PolarHBondContact O-N 2.94Å; H312-G341 WeakPolarHBondContact O-CA 3.46Å; H312-R343 PolarHBondContact O-NH1 2.77Å; H312-R343 PolarHBondContact O-NH2 2.87Å
313	Y	89.4	Confident	85.1	Confident	6 Å²	6	51.6 Å²	51.6	2%	0.024	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-76.6	156.9	168.1	-84	5.4	0	0	0	112.5	G65 D66 H264 H266 T317 F318	G65-Y313 WeakPolarHBondContact CA-OH 3.05Å; D66-Y313 PolarHBondContact OD2-OH 3.2Å; H264-Y313 AromaticContact CD2-CD1 4Å; H264-Y313 AromaticContact CD2-CE1 3.63Å; H264-Y313 AromaticContact ND1-CZ 3.97Å; H264-Y313 AromaticContact NE2-CE1 3.86Å; H264-Y313 AromaticContact NE2-CZ 3.61Å; H264-Y313 PolarHBondContact NE2-OH 2.86Å; H266-Y313 AromaticContact CE1-CD1 3.73Å; H266-Y313 AromaticContact CE1-CD2 3.07Å; H266-Y313 WeakPolarHBondContact CE1-CD2 3.44Å; H266-Y313 AromaticContact CE1-CE2 3.46Å; H266-Y313 VanDerWaalsContact CE1-CE2 3.46Å; H266-Y313 WeakPolarHBondContact CE1-CE2 3.04Å; H266-Y313 AromaticContact CE1-CG 3.23Å; H266-Y313 AromaticContact ND1-CD2 3.78Å; H266-Y313 AromaticContact ND1-CG 3.52Å; H266-Y313 AromaticContact NE2-CD2 3.43Å; H266-Y313 WeakPolarHBondContact NE2-CD2 3.44Å; H266-Y313 AromaticContact NE2-CE2 3.76Å; Y313-T317 HydrophobicContact CD2-CG2 3.69Å; Y313-T317 HydrophobicContact CE2-CG2 4.03Å; Y313-T317 HydrophobicContact CG-CG2 4.07Å; Y313-F318 HydrophobicContact CE2-CD2 4.25Å; Y313-F318 AromaticContact CE2-CE2 3.76Å; Y313-F318 HydrophobicContact CE2-CE2 3.76Å
314	A	87.1	Confident	85	Confident	28 Å²	28	53.1 Å²	53.1	23%	0.231	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-75	156.3	174.7	0	0	0	0	0	111	N316 T317	A314-N316 PolarHBondContact O-N 3.31Å; A314-T317 PolarHBondContact N-OG1 3.47Å; A314-T317 VanDerWaalsContact N-OG1 3.15Å; A314-T317 PolarHBondContact O-N 3.31Å; A314-T317 VanDerWaalsContact O-N 3.13Å; A314-T317 PolarHBondContact O-OG1 2.03Å
315	R	89.2	Confident	85	Confident	139 Å²	139	50.8 Å²	50.8	53%	0.525	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.7	-176.4	63.1	-172.4	-65.4	-171.1	-1.7	115.2	D325 T326 I327 I340	R315-D325 WeakPolarHBondContact CG-OD1 3.02Å; R315-D325 IonicContact CZ-OD1 3.68Å; R315-D325 IonicContact CZ-OD2 3.66Å; R315-D325 IonicContact NE-OD1 3.53Å; R315-D325 PolarHBondContact NE-OD1 3.06Å; R315-D325 IonicContact NE-OD2 3.88Å; R315-D325 IonicContact NH2-OD1 2.69Å; R315-D325 PolarHBondContact NH2-OD1 3.18Å; R315-D325 IonicContact NH2-OD2 2.83Å; R315-D325 PolarHBondContact NH2-OD2 2.9Å; R315-D325 CarbonylContact O-C 3.5Å; R315-D325 VanDerWaalsContact O-CA 3.27Å; R315-D325 WeakPolarHBondContact O-CA 3.38Å; R315-T326 PolarHBondContact O-N 2.89Å; R315-T326 PolarHBondContact O-OG1 2.96Å; R315-I327 WeakPolarHBondContact CA-O 3.29Å; R315-I327 PolarHBondContact O-N 2.97Å; R315-I340 HydrophobicContact CB-CD1 4.07Å; R315-I340 HydrophobicContact CB-CG1 4.28Å
316	N	85.5	Confident	85.1	Confident	68 Å²	68	50 Å²	50	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	14.9	-177	65.2	-15.8	0	0	0	114	A314 F318 S319 M322	A314-N316 PolarHBondContact O-N 3.31Å; N316-F318 PolarHBondContact O-N 2.03Å; N316-S319 WeakPolarHBondContact O-CB 3.4Å; N316-S319 PolarHBondContact O-N 3.14Å; N316-S319 VanDerWaalsContact O-N 3.09Å; N316-M322 PolarHBondContact ND2-O 2.83Å
317	T	82.3	Confident	85.1	Confident	37 Å²	37	48.6 Å²	48.6	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.8	174.7	-59.1	0	0	0	0	110.2	F290 Y313 A314 S319 T326	F290-T317 WeakPolarHBondContact CZ-O 3.01Å; Y313-T317 HydrophobicContact CD2-CG2 3.69Å; Y313-T317 HydrophobicContact CE2-CG2 4.03Å; Y313-T317 HydrophobicContact CG-CG2 4.07Å; A314-T317 PolarHBondContact N-OG1 3.47Å; A314-T317 VanDerWaalsContact N-OG1 3.15Å; A314-T317 PolarHBondContact O-N 3.31Å; A314-T317 VanDerWaalsContact O-N 3.13Å; A314-T317 PolarHBondContact O-OG1 2.03Å; T317-S319 PolarHBondContact O-N 2.93Å; T317-S319 VanDerWaalsContact O-N 3.16Å; T317-T326 WeakPolarHBondContact O-CB 3.49Å; T317-T326 WeakPolarHBondContact O-CG2 3.24Å; T317-T326 PolarHBondContact O-OG1 3.14Å
318	F	83.6	Confident	85.1	Confident	58 Å²	58	48.4 Å²	48.4	25%	0.254	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	27.4	-172.7	-57.3	-64.9	0	0	0	115.8	Q283 Q286 N289 F290 Y313 N316	Q283-F318 WeakPolarHBondContact CG-O 3.29Å; Q283-F318 PolarHBondContact N-O 3.42Å; Q286-F318 HydrophobicContact CB-CB 3.95Å; Q286-F318 HydrophobicContact CB-CD1 4.16Å; Q286-F318 HydrophobicContact CB-CG 4.11Å; Q286-F318 HydrophobicContact CG-CB 4.46Å; Q286-F318 HydrophobicContact CG-CD1 3.97Å; Q286-F318 HydrophobicContact CG-CG 4.42Å; N289-F318 HydrophobicContact CB-CD2 3.85Å; N289-F318 HydrophobicContact CB-CE2 3.75Å; N289-F318 VanDerWaalsContact CG-CE2 3.45Å; F290-F318 HydrophobicContact CE2-CB 3.91Å; F290-F318 AromaticContact CE2-CD2 3.99Å; F290-F318 HydrophobicContact CE2-CD2 3.99Å; F290-F318 HydrophobicContact CE2-CG 4.39Å; F290-F318 HydrophobicContact CZ-CB 4.02Å; F290-F318 HydrophobicContact CZ-CD2 4.06Å; Y313-F318 HydrophobicContact CE2-CD2 4.25Å; Y313-F318 AromaticContact CE2-CE2 3.76Å; Y313-F318 HydrophobicContact CE2-CE2 3.76Å; N316-F318 PolarHBondContact O-N 2.03Å
319	S	85.6	Confident	85.2	Confident	13 Å²	13	46.2 Å²	46.2	9%	0.091	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-77.3	144.2	178.6	-171.8	0	0	0	0	113.8	N281 Q283 N316 T317 G321 L324	N281-S319 CarbonylContact O-C 3.36Å; N281-S319 WeakPolarHBondContact O-CA 3.44Å; N281-S319 PolarHBondContact O-OG 3.12Å; Q283-S319 WeakPolarHBondContact CG-O 3.41Å; Q283-S319 PolarHBondContact NE2-O 2.94Å; N316-S319 WeakPolarHBondContact O-CB 3.4Å; N316-S319 PolarHBondContact O-N 3.14Å; N316-S319 VanDerWaalsContact O-N 3.09Å; T317-S319 PolarHBondContact O-N 2.93Å; T317-S319 VanDerWaalsContact O-N 3.16Å; S319-G321 PolarHBondContact O-N 3.07Å; S319-G321 PolarHBondContact OG-N 2.99Å; S319-G321 PolarHBondContact OG-O 2.9Å; S319-L324 VanDerWaalsContact CB-O 3.25Å; S319-L324 WeakPolarHBondContact CB-O 3.44Å; S319-L324 WeakPolarHBondContact OG-CB 3.28Å; S319-L324 PolarHBondContact OG-O 2.62Å
320	R	83.5	Confident	85	Confident	126 Å²	126	48 Å²	48	48%	0.475	24%	0.238	S	C	.	.	S	Bend	trans	-75.4	-6.4	175.4	73.6	-178.3	58.2	170.9	-2	114	D280 N281 I282 Q283 L324	D280-R320 VanDerWaalsContact C-CZ 3.5Å; D280-R320 PolarHBondContact O-NE 3.15Å; D280-R320 PolarHBondContact O-NH1 2.65Å; N281-R320 WeakPolarHBondContact O-CG 3.32Å; N281-R320 PolarHBondContact O-N 3.34Å; I282-R320 VanDerWaalsContact O-CZ 3.25Å; I282-R320 PolarHBondContact O-NE 2.8Å; I282-R320 PolarHBondContact O-NH2 2.88Å; Q283-R320 HydrophobicContact CG-CB 4.39Å; R320-L324 HydrophobicContact CG-CD1 3.96Å
321	G	68.7	Low	84.6	Confident	25 Å²	25	55.9 Å²	55.9	26%	0.258	27%	0.268	S	S	.	.	S	Bend	trans	-155.4	142.7	178.2	0	0	0	0	0	112	S319 F323 L324	S319-G321 PolarHBondContact O-N 3.07Å; S319-G321 PolarHBondContact OG-N 2.99Å; S319-G321 PolarHBondContact OG-O 2.9Å; G321-F323 PolarHBondContact O-N 3.36Å; G321-L324 PolarHBondContact O-N 2.94Å
322	M	60.9	Low	83.9	Confident	145 Å²	145	59.2 Å²	59.2	71%	0.714	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.5	-166.6	-161.4	167.8	74	0	0	114.8	N316	N316-M322 PolarHBondContact ND2-O 2.83Å
323	F	73.3	Confident	83.1	Confident	182 Å²	182	68.8 Å²	68.8	80%	0.798	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	9	-179.1	-52.8	-70	0	0	0	114.2	G321	G321-F323 PolarHBondContact O-N 3.36Å
324	L	81.6	Confident	82.4	Confident	71 Å²	71	75.1 Å²	75.1	37%	0.372	36%	0.364	S	S	.	.			trans	-98.1	121.8	-178.3	-67.5	177	0	0	0	110.5	N281 S319 R320 G321	N281-L324 HydrophobicContact CB-CB 4.08Å; S319-L324 VanDerWaalsContact CB-O 3.25Å; S319-L324 WeakPolarHBondContact CB-O 3.44Å; S319-L324 WeakPolarHBondContact OG-CB 3.28Å; S319-L324 PolarHBondContact OG-O 2.62Å; R320-L324 HydrophobicContact CG-CD1 3.96Å; G321-L324 PolarHBondContact O-N 2.94Å
325	D	87.3	Confident	81.8	Confident	26 Å²	26	75.1 Å²	75.1	14%	0.139	37%	0.367	C	S	.	.			trans	-73.1	129	175.4	-70.7	-27.8	0	0	0	111.1	I278 N281 R315	I278-D325 WeakPolarHBondContact CB-O 2.93Å; I278-D325 HydrophobicContact CD1-CB 4.23Å; N281-D325 VanDerWaalsContact CB-O 3.26Å; N281-D325 WeakPolarHBondContact CB-O 2.98Å; N281-D325 PolarHBondContact ND2-O 2.81Å; R315-D325 WeakPolarHBondContact CG-OD1 3.02Å; R315-D325 IonicContact CZ-OD1 3.68Å; R315-D325 IonicContact CZ-OD2 3.66Å; R315-D325 IonicContact NE-OD1 3.53Å; R315-D325 PolarHBondContact NE-OD1 3.06Å; R315-D325 IonicContact NE-OD2 3.88Å; R315-D325 IonicContact NH2-OD1 2.69Å; R315-D325 PolarHBondContact NH2-OD1 3.18Å; R315-D325 IonicContact NH2-OD2 2.83Å; R315-D325 PolarHBondContact NH2-OD2 2.9Å; R315-D325 CarbonylContact O-C 3.5Å; R315-D325 VanDerWaalsContact O-CA 3.27Å; R315-D325 WeakPolarHBondContact O-CA 3.38Å
326	T	89.4	Confident	81.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.368	C	S	.	.	S	Bend	trans	-91.1	-28.7	164.9	46.9	0	0	0	0	111.6	I277 I278 N281 I282 F290 R315 T317	I277-T326 CarbonylContact C-O 3.59Å; I277-T326 WeakPolarHBondContact CA-O 3.1Å; I278-T326 PolarHBondContact N-O 3.44Å; N281-T326 HydrophobicContact CB-CG2 4.26Å; I282-T326 HydrophobicContact CB-CG2 4.39Å; I282-T326 HydrophobicContact CG1-CG2 3.83Å; F290-T326 HydrophobicContact CZ-CG2 4.47Å; R315-T326 PolarHBondContact O-N 2.89Å; R315-T326 PolarHBondContact O-OG1 2.96Å; T317-T326 WeakPolarHBondContact O-CB 3.49Å; T317-T326 WeakPolarHBondContact O-CG2 3.24Å; T317-T326 PolarHBondContact O-OG1 3.14Å
327	I	91.1	Very high	81.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120	175.6	-45.6	179.6	0	0	0	109.4	H266 V275 I277 F290 R315 I340	H266-I327 HydrophobicContact CB-CD1 3.92Å; V275-I327 HydrophobicContact CB-CG2 3.83Å; V275-I327 HydrophobicContact CG1-CG2 4.03Å; V275-I327 HydrophobicContact CG2-CG2 4.26Å; I277-I327 HydrophobicContact CD1-CB 4.43Å; I277-I327 HydrophobicContact CD1-CG1 4.06Å; I277-I327 HydrophobicContact CD1-CG2 4.06Å; F290-I327 HydrophobicContact CD1-CD1 4.44Å; F290-I327 HydrophobicContact CD1-CG1 4.23Å; F290-I327 HydrophobicContact CE1-CD1 3.99Å; F290-I327 HydrophobicContact CE1-CG1 3.77Å; R315-I327 WeakPolarHBondContact CA-O 3.29Å; R315-I327 PolarHBondContact O-N 2.97Å; I327-I340 HydrophobicContact CB-CD1 4Å; I327-I340 HydrophobicContact CG2-CD1 3.86Å
328	L	90.9	Very high	81.2	Confident	35 Å²	35	75 Å²	75	18%	0.183	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	106.5	179.2	-176.9	64.6	0	0	0	110.7	T276 I278	T276-L328 PolarHBondContact N-O 2.69Å; T276-L328 PolarHBondContact O-N 3.42Å; I278-L328 HydrophobicContact CD1-CB 4Å; I278-L328 HydrophobicContact CD1-CD2 4.16Å
329	P	91.3	Very high	81.3	Confident	7 Å²	7	76.3 Å²	76.3	5%	0.045	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	148	176.2	-26.5	36	0	0	0	113.3	F307 R337 P338 I340	F307-P329 HydrophobicContact CD1-CB 4.22Å; F307-P329 HydrophobicContact CE1-CB 4.03Å; P329-R337 WeakPolarHBondContact O-CD 3.05Å; P329-R337 PolarHBondContact O-NH1 2.79Å; P329-P338 HydrophobicContact CB-CG 3.92Å; P329-I340 HydrophobicContact CG-CB 4.42Å; P329-I340 HydrophobicContact CG-CD1 3.75Å; P329-I340 HydrophobicContact CG-CG1 3.85Å; P329-I340 HydrophobicContact CG-CG2 3.7Å
330	S	88.4	Confident	81.5	Confident	42 Å²	42	76.9 Å²	76.9	29%	0.294	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.1	169	168.8	64.7	0	0	0	0	111.2	H274 P338	H274-S330 WeakPolarHBondContact O-CB 3.27Å; H274-S330 PolarHBondContact O-N 3.47Å; H274-S330 PolarHBondContact O-OG 3.13Å; S330-P338 WeakPolarHBondContact O-CD 3.29Å
331	R	83.1	Confident	81.5	Confident	165 Å²	165	71.6 Å²	71.6	62%	0.623	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-88.2	143.3	173.8	-69.6	179.2	-174.5	-104.7	11.1	109.5	G335 V336 R337	R331-G335 VanDerWaalsContact CD-O 3.27Å; R331-G335 WeakPolarHBondContact CD-O 3.41Å; R331-G335 WeakPolarHBondContact CG-O 3.49Å; R331-G335 PolarHBondContact NH1-O 3.1Å; R331-V336 CarbonylContact C-O 3.49Å; R331-V336 VanDerWaalsContact CA-O 3.26Å; R331-V336 WeakPolarHBondContact CA-O 3.42Å; R331-R337 HydrophobicContact CG-CG 4.02Å
332	D	77.2	Confident	82.4	Confident	70 Å²	70	72 Å²	72	37%	0.374	38%	0.377	S	S	.	.			trans	-73.5	-178.4	170.6	79.7	-14.6	0	0	0	111.7	N334 G335 V336	D332-N334 PolarHBondContact O-N 3.4Å; D332-N334 VanDerWaalsContact OD1-C 3.32Å; D332-N334 WeakPolarHBondContact OD1-CA 3.31Å; D332-N334 WeakPolarHBondContact OD1-CB 3.22Å; D332-N334 PolarHBondContact OD1-N 3.26Å; D332-N334 PolarHBondContact OD2-ND2 2.89Å; D332-G335 PolarHBondContact O-N 3.47Å; D332-G335 PolarHBondContact OD1-N 3Å; D332-V336 PolarHBondContact N-O 2.82Å; D332-V336 WeakPolarHBondContact OD1-CA 3.48Å; D332-V336 PolarHBondContact OD1-N 2.88Å
333	E	76	Confident	83.5	Confident	202 Å²	202	68.7 Å²	68.7	94%	0.944	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.8	178.6	-59.1	-173.7	156.8	0	0	113.3
334	N	73.6	Confident	83.6	Confident	138 Å²	138	64 Å²	64	74%	0.738	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.7	175.8	-52.8	-70	0	0	0	112.8	D332 V336	D332-N334 PolarHBondContact O-N 3.4Å; D332-N334 VanDerWaalsContact OD1-C 3.32Å; D332-N334 WeakPolarHBondContact OD1-CA 3.31Å; D332-N334 WeakPolarHBondContact OD1-CB 3.22Å; D332-N334 PolarHBondContact OD1-N 3.26Å; D332-N334 PolarHBondContact OD2-ND2 2.89Å; N334-V336 VanDerWaalsContact C-N 3.32Å; N334-V336 HydrophobicContact CB-CG2 4.32Å
335	G	76.2	Confident	83.8	Confident	28 Å²	28	66.2 Å²	66.2	29%	0.289	35%	0.346	S	S	.	.	S	Bend	trans	80.2	4.4	-175.8	0	0	0	0	0	114.9	R331 D332	R331-G335 VanDerWaalsContact CD-O 3.27Å; R331-G335 WeakPolarHBondContact CD-O 3.41Å; R331-G335 WeakPolarHBondContact CG-O 3.49Å; R331-G335 PolarHBondContact NH1-O 3.1Å; D332-G335 PolarHBondContact O-N 3.47Å; D332-G335 PolarHBondContact OD1-N 3Å
336	V	76.5	Confident	83.7	Confident	90 Å²	90	65.3 Å²	65.3	55%	0.545	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-83	151.4	177	-176.6	0	0	0	0	109.4	R331 D332 N334	R331-V336 CarbonylContact C-O 3.49Å; R331-V336 VanDerWaalsContact CA-O 3.26Å; R331-V336 WeakPolarHBondContact CA-O 3.42Å; D332-V336 PolarHBondContact N-O 2.82Å; D332-V336 WeakPolarHBondContact OD1-CA 3.48Å; D332-V336 PolarHBondContact OD1-N 2.88Å; N334-V336 VanDerWaalsContact C-N 3.32Å; N334-V336 HydrophobicContact CB-CG2 4.32Å
337	R	82.3	Confident	83.7	Confident	107 Å²	107	65.4 Å²	65.4	40%	0.404	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-96.5	131	169.9	-64.1	-172.6	-165.1	-89.4	7.9	109	P329 R331	P329-R337 WeakPolarHBondContact O-CD 3.05Å; P329-R337 PolarHBondContact O-NH1 2.79Å; R331-R337 HydrophobicContact CG-CG 4.02Å
338	P	85.6	Confident	83.4	Confident	44 Å²	44	74.5 Å²	74.5	29%	0.286	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-65.9	152.2	175.6	28.7	-34.3	0	0	0	111.1	F307 P329 S330	F307-P338 HydrophobicContact CB-CB 3.92Å; F307-P338 HydrophobicContact CB-CG 4.05Å; F307-P338 HydrophobicContact CD1-CB 4.44Å; F307-P338 HydrophobicContact CD1-CG 3.63Å; F307-P338 HydrophobicContact CD2-CB 4.17Å; F307-P338 HydrophobicContact CD2-CG 3.72Å; F307-P338 HydrophobicContact CE1-CG 3.9Å; F307-P338 HydrophobicContact CE2-CG 3.99Å; F307-P338 HydrophobicContact CG-CB 3.94Å; F307-P338 HydrophobicContact CG-CG 3.52Å; F307-P338 HydrophobicContact CZ-CG 4.07Å; P329-P338 HydrophobicContact CB-CG 3.92Å; S330-P338 WeakPolarHBondContact O-CD 3.29Å
339	A	85	Confident	83.2	Confident	87 Å²	87	73.4 Å²	73.4	72%	0.719	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-70.2	150.9	169.3	0	0	0	0	0	110.5
340	I	89.4	Confident	83.1	Confident	24 Å²	24	73.3 Å²	73.3	12%	0.123	38%	0.378	C	S	.	.			trans	-140.1	150.4	178.5	52.2	161.7	0	0	0	111.9	F307 R315 I327 P329	F307-I340 HydrophobicContact CB-CG2 3.87Å; F307-I340 HydrophobicContact CD1-CG2 3.76Å; F307-I340 HydrophobicContact CG-CG2 4.32Å; F307-I340 WeakPolarHBondContact O-CA 3.03Å; R315-I340 HydrophobicContact CB-CD1 4.07Å; R315-I340 HydrophobicContact CB-CG1 4.28Å; I327-I340 HydrophobicContact CB-CD1 4Å; I327-I340 HydrophobicContact CG2-CD1 3.86Å; P329-I340 HydrophobicContact CG-CB 4.42Å; P329-I340 HydrophobicContact CG-CD1 3.75Å; P329-I340 HydrophobicContact CG-CG1 3.85Å; P329-I340 HydrophobicContact CG-CG2 3.7Å
341	G	83.8	Confident	83.1	Confident	16 Å²	16	72.6 Å²	72.6	17%	0.165	37%	0.37	C	S	.	.			trans	83.3	30.8	171.2	0	0	0	0	0	115.4	H312	H312-G341 WeakPolarHBondContact O-CA 3.46Å
342	Q	88.2	Confident	83.2	Confident	34 Å²	34	66.1 Å²	66.1	16%	0.159	35%	0.352	C	S	.	.			trans	-64.8	153.6	173.8	68.4	83.3	16.6	0	0	112	D308 T344 R345	D308-Q342 VanDerWaalsContact O-CG 3.3Å; D308-Q342 WeakPolarHBondContact O-CG 3.13Å; D308-Q342 PolarHBondContact O-NE2 2.9Å; Q342-T344 PolarHBondContact OE1-OG1 2.99Å; Q342-R345 PolarHBondContact NE2-O 3.24Å; Q342-R345 VanDerWaalsContact OE1-N 3.16Å; Q342-R345 PolarHBondContact OE1-O 3.28Å
343	R	83.3	Confident	83.7	Confident	75 Å²	75	63.3 Å²	63.3	28%	0.283	34%	0.337	S	S	.	.			trans	-138	52.8	177.8	-67.3	-65.1	-177	-79.5	6.2	110.4	G250 H254 I310 H312	G250-R343 WeakPolarHBondContact CA-O 3.01Å; H254-R343 PolarHBondContact CE1-NH2 3.04Å; H254-R343 PolarHBondContact NE2-NH2 3.36Å; I310-R343 PolarHBondContact O-NH1 2.92Å; H312-R343 PolarHBondContact O-NH1 2.77Å; H312-R343 PolarHBondContact O-NH2 2.87Å
344	T	74.9	Confident	84.3	Confident	84 Å²	84	53.7 Å²	53.7	52%	0.515	29%	0.292	S	S	.	.	S	Bend	trans	-126.3	-37.2	-171.9	63.1	0	0	0	0	113.7	Q342	Q342-T344 PolarHBondContact OE1-OG1 2.99Å
345	R	85.4	Confident	84.8	Confident	116 Å²	116	53.3 Å²	53.3	44%	0.438	28%	0.28	S	S	.	.	S	Bend	trans	-154.6	177.3	-173.1	64.8	178.2	178.6	-84	-4.9	110.7	D308 I310 Q342	D308-R345 IonicContact OD1-CZ 2.78Å; D308-R345 IonicContact OD1-NH2 2.71Å; D308-R345 PolarHBondContact OD1-NH2 2.82Å; D308-R345 IonicContact OD2-CZ 2.78Å; D308-R345 IonicContact OD2-NE 2.7Å; D308-R345 PolarHBondContact OD2-NE 2.81Å; D308-R345 IonicContact OD2-NH2 3.17Å; D308-R345 PolarHBondContact OD2-NH2 2.03Å; I310-R345 WeakPolarHBondContact CD1-O 3.39Å; Q342-R345 PolarHBondContact NE2-O 3.24Å; Q342-R345 VanDerWaalsContact OE1-N 3.16Å; Q342-R345 PolarHBondContact OE1-O 3.28Å
346	L	86	Confident	85.2	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	29%	0.285	C	S	.	.			trans	-88	141.9	163.8	-64.3	169.3	0	0	0	109.4	H198 W199 V253 I310 D350 I351	H198-L346 WeakPolarHBondContact NE2-CG 3.43Å; H198-L346 PolarHBondContact NE2-N 3.4Å; W199-L346 HydrophobicContact CD2-CD1 3.55Å; W199-L346 HydrophobicContact CD2-CD2 4.1Å; W199-L346 HydrophobicContact CD2-CG 4.46Å; W199-L346 HydrophobicContact CE3-CD1 3.55Å; W199-L346 HydrophobicContact CE3-CD2 4.22Å; W199-L346 HydrophobicContact CG-CD1 4.04Å; W199-L346 HydrophobicContact CH2-CD1 4.35Å; W199-L346 HydrophobicContact CH2-CD2 3.5Å; W199-L346 HydrophobicContact CZ2-CD1 4.35Å; W199-L346 HydrophobicContact CZ2-CD2 3.33Å; W199-L346 HydrophobicContact CZ2-CG 4.47Å; W199-L346 HydrophobicContact CZ3-CD1 3.96Å; W199-L346 HydrophobicContact CZ3-CD2 3.94Å; V253-L346 HydrophobicContact CG1-CD2 3.7Å; V253-L346 HydrophobicContact CG1-CG 4.03Å; I310-L346 HydrophobicContact CG2-CD2 3.83Å; L346-D350 HydrophobicContact CB-CB 4.18Å; L346-D350 HydrophobicContact CD2-CB 4.1Å; L346-I351 HydrophobicContact CB-CD1 4.35Å; L346-I351 HydrophobicContact CB-CG1 4.02Å
347	S	90.4	Very high	85.6	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	26%	0.262	C	S	.	.			trans	-78.9	173.2	174.8	77.6	0	0	0	0	111.8	D306 G349 D350 I351	D306-S347 WeakPolarHBondContact OD2-CB 3.33Å; D306-S347 PolarHBondContact OD2-OG 2.84Å; S347-G349 VanDerWaalsContact C-N 3.32Å; S347-G349 PolarHBondContact O-N 2.82Å; S347-G349 PolarHBondContact OG-N 3.45Å; S347-D350 PolarHBondContact N-OD2 3.09Å; S347-D350 PolarHBondContact OG-N 2.94Å; S347-D350 PolarHBondContact OG-OD2 3.47Å; S347-I351 VanDerWaalsContact O-CD1 3.28Å; S347-I351 WeakPolarHBondContact O-CD1 3.35Å; S347-I351 WeakPolarHBondContact O-CG1 3.03Å; S347-I351 PolarHBondContact O-N 3.33Å
348	K	84.5	Confident	85.7	Confident	190 Å²	190	48.6 Å²	48.6	83%	0.826	25%	0.247	S	C	*	.	H	α-helix	trans	-65.6	-34.8	172.1	-70.8	178.2	180	173.5	0	112.1	A352	K348-A352 VanDerWaalsContact O-CB 3.28Å; K348-A352 WeakPolarHBondContact O-CB 3.26Å; K348-A352 PolarHBondContact O-N 3.29Å
349	G	85.3	Confident	85.4	Confident	12 Å²	12	57.2 Å²	57.2	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-71.1	-42.5	175.9	0	0	0	0	0	112.7	D306 S347 I351 A352 Q353	D306-G349 WeakPolarHBondContact OD2-CA 3.4Å; D306-G349 PolarHBondContact OD2-N 3.11Å; S347-G349 VanDerWaalsContact C-N 3.32Å; S347-G349 PolarHBondContact O-N 2.82Å; S347-G349 PolarHBondContact OG-N 3.45Å; G349-I351 VanDerWaalsContact C-N 3.3Å; G349-I351 PolarHBondContact O-N 3.34Å; G349-A352 PolarHBondContact O-N 3.35Å; G349-Q353 WeakPolarHBondContact O-CB 3.16Å; G349-Q353 PolarHBondContact O-N 3.28Å
350	D	91.1	Very high	84.7	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.027	25%	0.249	C	C	.	.	H	α-helix	trans	-52.6	-50.6	174.8	-66.3	-29.7	0	0	0	110.3	F262 S309 I310 L346 S347 A354	F262-D350 HydrophobicContact CE2-CB 4.32Å; F262-D350 WeakPolarHBondContact CZ-O 3.28Å; S309-D350 VanDerWaalsContact CB-OD1 3.31Å; S309-D350 WeakPolarHBondContact CB-OD1 3.29Å; S309-D350 PolarHBondContact OG-OD1 3.32Å; I310-D350 PolarHBondContact N-OD2 2.89Å; L346-D350 HydrophobicContact CB-CB 4.18Å; L346-D350 HydrophobicContact CD2-CB 4.1Å; S347-D350 PolarHBondContact N-OD2 3.09Å; S347-D350 PolarHBondContact OG-N 2.94Å; S347-D350 PolarHBondContact OG-OD2 3.47Å; D350-A354 WeakPolarHBondContact O-CB 3.44Å; D350-A354 PolarHBondContact O-N 3.41Å
351	I	87.5	Confident	83.3	Confident	28 Å²	28	57.2 Å²	57.2	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-47.2	-179.7	-62.3	163.5	0	0	0	111.4	Q202 L346 S347 G349 R355	Q202-I351 HydrophobicContact CB-CD1 4.1Å; Q202-I351 HydrophobicContact CB-CG1 4.01Å; Q202-I351 HydrophobicContact CB-CG2 4.28Å; Q202-I351 HydrophobicContact CG-CD1 4.34Å; Q202-I351 WeakPolarHBondContact O-CG2 3.39Å; Q202-I351 VanDerWaalsContact OE1-CD1 3.25Å; L346-I351 HydrophobicContact CB-CD1 4.35Å; L346-I351 HydrophobicContact CB-CG1 4.02Å; S347-I351 VanDerWaalsContact O-CD1 3.28Å; S347-I351 WeakPolarHBondContact O-CD1 3.35Å; S347-I351 WeakPolarHBondContact O-CG1 3.03Å; S347-I351 PolarHBondContact O-N 3.33Å; G349-I351 VanDerWaalsContact C-N 3.3Å; G349-I351 PolarHBondContact O-N 3.34Å; I351-R355 WeakPolarHBondContact O-CB 3.48Å; I351-R355 VanDerWaalsContact O-CG 3.23Å; I351-R355 WeakPolarHBondContact O-CG 3.36Å; I351-R355 PolarHBondContact O-N 2.87Å
352	A	84.5	Confident	81.6	Confident	29 Å²	29	61.9 Å²	61.9	24%	0.24	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-40.5	-178.1	0	0	0	0	0	112.2	E303 K348 G349 R355 K356	E303-A352 HydrophobicContact CG-CB 4.39Å; E303-A352 WeakPolarHBondContact OE1-CB 3.32Å; K348-A352 VanDerWaalsContact O-CB 3.28Å; K348-A352 WeakPolarHBondContact O-CB 3.26Å; K348-A352 PolarHBondContact O-N 3.29Å; G349-A352 PolarHBondContact O-N 3.35Å; A352-R355 PolarHBondContact O-N 2.91Å; A352-K356 WeakPolarHBondContact O-CG 3.32Å; A352-K356 PolarHBondContact O-N 2.57Å
353	Q	88	Confident	79.6	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-43	178	-159.5	169.8	121.1	0	0	111.3	A163 F262 L301 E303 G349 K356 L357	A163-Q353 HydrophobicContact CB-CG 4.07Å; F262-Q353 HydrophobicContact CE1-CB 4.42Å; F262-Q353 HydrophobicContact CE1-CG 4.3Å; F262-Q353 HydrophobicContact CZ-CB 3.96Å; F262-Q353 HydrophobicContact CZ-CG 4.31Å; L301-Q353 HydrophobicContact CD1-CG 4.41Å; E303-Q353 HydrophobicContact CG-CB 4.02Å; E303-Q353 HydrophobicContact CG-CG 4.37Å; G349-Q353 WeakPolarHBondContact O-CB 3.16Å; G349-Q353 PolarHBondContact O-N 3.28Å; Q353-K356 PolarHBondContact O-N 3.47Å; Q353-L357 WeakPolarHBondContact O-CB 3.39Å; Q353-L357 PolarHBondContact O-N 3.05Å
354	A	88.6	Confident	77.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-43.5	174.7	0	0	0	0	0	111.4	W199 T203 F262 D350 K356 L357 Y358	W199-A354 HydrophobicContact CZ3-CB 4.05Å; T203-A354 HydrophobicContact CG2-CB 3.72Å; F262-A354 HydrophobicContact CE1-CB 4.42Å; F262-A354 HydrophobicContact CZ-CB 3.8Å; D350-A354 WeakPolarHBondContact O-CB 3.44Å; D350-A354 PolarHBondContact O-N 3.41Å; A354-K356 VanDerWaalsContact C-N 3.3Å; A354-K356 PolarHBondContact O-N 2.78Å; A354-L357 PolarHBondContact O-N 2.83Å; A354-Y358 PolarHBondContact O-N 3.1Å; A354-Y358 VanDerWaalsContact O-N 3.1Å
355	R	83.8	Confident	76.7	Confident	130 Å²	130	63.8 Å²	63.8	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-59	-39.6	176	-75.8	172.6	-179.3	-151.3	-0.8	112.5	Q202 I351 A352 R359 C360	Q202-R355 VanDerWaalsContact O-CZ 3.26Å; Q202-R355 PolarHBondContact O-NE 3.1Å; Q202-R355 PolarHBondContact O-NH2 3.15Å; I351-R355 WeakPolarHBondContact O-CB 3.48Å; I351-R355 VanDerWaalsContact O-CG 3.23Å; I351-R355 WeakPolarHBondContact O-CG 3.36Å; I351-R355 PolarHBondContact O-N 2.87Å; A352-R355 PolarHBondContact O-N 2.91Å; R355-R359 WeakPolarHBondContact O-CA 3.4Å; R355-R359 PolarHBondContact O-N 3.11Å; R355-C360 HydrophobicContact CB-CB 4.26Å; R355-C360 HydrophobicContact CG-CB 4.31Å; R355-C360 PolarHBondContact O-N 3.43Å
356	K	84.4	Confident	75.1	Confident	91 Å²	91	60 Å²	60	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-71.8	-40.6	175	-72.7	173.4	169.4	178.5	0	112.7	L301 E303 A352 Q353 A354 Y358 R359	L301-K356 HydrophobicContact CB-CB 3.83Å; L301-K356 HydrophobicContact CB-CD 3.84Å; L301-K356 HydrophobicContact CB-CG 4.5Å; L301-K356 HydrophobicContact CD1-CB 3.68Å; L301-K356 HydrophobicContact CG-CB 4.36Å; L301-K356 VanDerWaalsContact O-CD 3.27Å; L301-K356 WeakPolarHBondContact O-CD 3.05Å; L301-K356 WeakPolarHBondContact O-CE 3.35Å; L301-K356 PolarHBondContact O-NZ 2.76Å; E303-K356 WeakPolarHBondContact OE1-CD 3.33Å; E303-K356 WeakPolarHBondContact OE1-CE 3.4Å; E303-K356 IonicContact OE1-NZ 3.83Å; E303-K356 PolarHBondContact OE1-NZ 2.79Å; A352-K356 WeakPolarHBondContact O-CG 3.32Å; A352-K356 PolarHBondContact O-N 2.57Å; Q353-K356 PolarHBondContact O-N 3.47Å; A354-K356 VanDerWaalsContact C-N 3.3Å; A354-K356 PolarHBondContact O-N 2.78Å; K356-Y358 PolarHBondContact O-N 2.69Å; K356-R359 PolarHBondContact O-N 2.99Å
357	L	86.2	Confident	73.7	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-47.1	-176.5	-177.6	60.4	0	0	0	111	A163 T164 I170 F262 L301 Q353 A354 R359	A163-L357 HydrophobicContact CB-CD2 4.32Å; T164-L357 HydrophobicContact CG2-CD1 4.48Å; I170-L357 HydrophobicContact CD1-CD1 3.73Å; I170-L357 HydrophobicContact CG1-CD1 4.09Å; F262-L357 HydrophobicContact CD1-CD2 4.45Å; F262-L357 HydrophobicContact CE1-CD2 4.15Å; L301-L357 VanDerWaalsContact CD1-CA 3.47Å; L301-L357 HydrophobicContact CD1-CB 3.69Å; L301-L357 HydrophobicContact CD1-CD1 4.25Å; L301-L357 VanDerWaalsContact CD1-N 3.29Å; Q353-L357 WeakPolarHBondContact O-CB 3.39Å; Q353-L357 PolarHBondContact O-N 3.05Å; A354-L357 PolarHBondContact O-N 2.83Å; L357-R359 VanDerWaalsContact C-N 3.34Å
358	Y	82.9	Confident	71.8	Confident	23 Å²	23	62.9 Å²	62.9	9%	0.09	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.1	178.8	-70.5	-80	0	0	0	114	I170 W171 V205 I260 A354 K356 C360	I170-Y358 HydrophobicContact CG2-CD1 3.91Å; I170-Y358 HydrophobicContact CG2-CE1 3.42Å; I170-Y358 VanDerWaalsContact CG2-CE1 3.42Å; W171-Y358 HydrophobicContact CB-CE1 4.02Å; W171-Y358 PolarHBondContact N-OH 2.8Å; W171-Y358 WeakPolarHBondContact O-CE1 3.48Å; V205-Y358 HydrophobicContact CG2-CD2 3.64Å; V205-Y358 HydrophobicContact CG2-CE2 3.95Å; V205-Y358 HydrophobicContact CG2-CG 4.1Å; I260-Y358 HydrophobicContact CG2-CE2 3.89Å; I260-Y358 WeakPolarHBondContact O-CE2 3.42Å; I260-Y358 PolarHBondContact O-OH 3.16Å; A354-Y358 PolarHBondContact O-N 3.1Å; A354-Y358 VanDerWaalsContact O-N 3.1Å; K356-Y358 PolarHBondContact O-N 2.69Å; Y358-C360 VanDerWaalsContact C-N 3.34Å; Y358-C360 PolarHBondContact O-N 3.48Å
359	R	79.8	Confident	70.3	Confident	226 Å²	226	57.6 Å²	57.6	85%	0.853	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	47.8	179.8	-52.6	179.7	-172.6	170.4	3.1	112.5	R355 K356 L357	R355-R359 WeakPolarHBondContact O-CA 3.4Å; R355-R359 PolarHBondContact O-N 3.11Å; K356-R359 PolarHBondContact O-N 2.99Å; L357-R359 VanDerWaalsContact C-N 3.34Å
360	C	71.5	Confident	68.8	Low	28 Å²	28	57.9 Å²	57.9	19%	0.189	31%	0.31	C	S	.	.			trans	-56.6	145.3	-177.9	-60.9	0	0	0	0	111.9	C204 R355 Y358 A362	C204-C360 HydrophobicContact CB-CB 3.73Å; C204-C360 WeakPolarHBondContact CB-SG 3.17Å; C204-C360 PolarHBondContact N-SG 3.19Å; C204-C360 WeakPolarHBondContact SG-CA 3.47Å; C204-C360 WeakPolarHBondContact SG-CB 3.25Å; C204-C360 CovalentContact SG-SG 2.03Å; C204-C360 PolarHBondContact SG-SG 2.94Å; R355-C360 HydrophobicContact CB-CB 4.26Å; R355-C360 HydrophobicContact CG-CB 4.31Å; R355-C360 PolarHBondContact O-N 3.43Å; Y358-C360 VanDerWaalsContact C-N 3.34Å; Y358-C360 PolarHBondContact O-N 3.48Å; C360-A362 PolarHBondContact O-N 2.95Å
361	P	60.2	Low	67.1	Low	82 Å²	82	65.7 Å²	65.7	53%	0.532	34%	0.339	S	S	.	.			trans	-53.6	138.6	178.8	-27.7	36.1	0	0	0	112.8	C363	P361-C363 WeakPolarHBondContact CB-O 3.27Å; P361-C363 PolarHBondContact O-N 3.35Å
362	A	47.9	Very low	66.1	Low	115 Å²	115	67.3 Å²	67.3	95%	0.95	35%	0.348	S	S	*	.	S	Bend	trans	-73.5	-14.6	176	0	0	0	0	0	113.1	C360	C360-A362 PolarHBondContact O-N 2.95Å
363	C	44.7	Very low	64.9	Low	65 Å²	65	72 Å²	72	44%	0.439	37%	0.366	S	S	.	.	S	Bend	trans	-140.2	144.1	165.4	60.4	0	0	0	0	109.1	P361	P361-C363 WeakPolarHBondContact CB-O 3.27Å; P361-C363 PolarHBondContact O-N 3.35Å
364	G	48.5	Very low	63.8	Low	33 Å²	33	71.9 Å²	71.9	34%	0.34	37%	0.366	S	S	.	.			trans	124.7	116.6	-170	0	0	0	0	0	110.8	S381	G364-S381 WeakPolarHBondContact CA-O 3.32Å
365	E	50.4	Low	62.7	Low	134 Å²	134	73.2 Å²	73.2	63%	0.626	38%	0.375	S	S	*	.			trans	-108.6	148.3	179.3	-62.5	-176.3	142.6	0	0	109.9	L367 L382 M383	E365-L367 HydrophobicContact CB-CD2 3.92Å; E365-L367 HydrophobicContact CB-CG 4.27Å; E365-L367 PolarHBondContact O-N 3.08Å; E365-L382 WeakPolarHBondContact O-CD1 3.36Å; E365-M383 PolarHBondContact O-N 3.31Å
366	T	51.6	Low	61.8	Low	37 Å²	37	68.1 Å²	68.1	23%	0.227	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	95.1	164.3	-50.3	0	0	0	0	107.6	H368 M383	T366-H368 WeakPolarHBondContact CG2-CE1 3.27Å; T366-H368 PolarHBondContact O-N 2.99Å; T366-H368 PolarHBondContact O-ND1 3.23Å; T366-M383 CarbonylContact C-O 3.56Å; T366-M383 VanDerWaalsContact CA-O 3.3Å; T366-M383 WeakPolarHBondContact CA-O 3.43Å; T366-M383 HydrophobicContact CG2-CE 3.44Å; T366-M383 VanDerWaalsContact CG2-CE 3.44Å
367	L	55	Low	60.4	Low	20 Å²	20	72.3 Å²	72.3	11%	0.105	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.2	-175.6	-65.1	177.5	0	0	0	110.5	E365 L372 L374 L382 M383 L384 T385 Y462	E365-L367 HydrophobicContact CB-CD2 3.92Å; E365-L367 HydrophobicContact CB-CG 4.27Å; E365-L367 PolarHBondContact O-N 3.08Å; L367-L372 HydrophobicContact CD1-CD2 3.66Å; L367-L372 HydrophobicContact CD2-CD2 4.02Å; L367-L372 HydrophobicContact CG-CD2 4.47Å; L367-L374 HydrophobicContact CD1-CD2 3.49Å; L367-L374 VanDerWaalsContact CD1-CD2 3.49Å; L367-L382 HydrophobicContact CD1-CD1 3.89Å; L367-L382 HydrophobicContact CD1-CD2 4.07Å; L367-L382 HydrophobicContact CD1-CG 4.35Å; L367-L382 HydrophobicContact CG-CD1 4.12Å; L367-M383 PolarHBondContact N-O 2.87Å; L367-L384 HydrophobicContact CB-CD2 4.01Å; L367-L384 HydrophobicContact CD1-CD2 3.96Å; L367-L384 HydrophobicContact CG-CD2 4.5Å; L367-T385 PolarHBondContact O-N 2.77Å; L367-Y462 HydrophobicContact CB-CE1 4.34Å; L367-Y462 HydrophobicContact CD1-CE1 4.12Å
368	H	52.1	Low	58.7	Low	51 Å²	51	76.3 Å²	76.3	24%	0.236	40%	0.403	C	S	.	.			trans	-114.2	13.8	179.5	-65.9	79	0	0	0	112.1	T366 T385	T366-H368 WeakPolarHBondContact CG2-CE1 3.27Å; T366-H368 PolarHBondContact O-N 2.99Å; T366-H368 PolarHBondContact O-ND1 3.23Å; H368-T385 WeakPolarHBondContact CA-O 3.23Å
369	D	53.1	Low	57.3	Low	79 Å²	79	75.9 Å²	75.9	42%	0.422	40%	0.404	S	S	.	.			trans	-75.9	154.3	171.9	-149.4	-33.1	0	0	0	109.4	R371 Y462	D369-R371 VanDerWaalsContact C-N 3.33Å; D369-Y462 PolarHBondContact N-OH 3.27Å; D369-Y462 WeakPolarHBondContact O-CE2 3.46Å; D369-Y462 VanDerWaalsContact O-CZ 3.28Å; D369-Y462 PolarHBondContact O-OH 3.41Å
370	D	52.3	Low	56.5	Low	17 Å²	17	69.5 Å²	69.5	9%	0.091	39%	0.387	C	S	.	.	S	Bend	trans	-78.6	-22.8	178.7	-93.9	21.1	0	0	0	111.9	E463 A464 K490	D370-E463 WeakPolarHBondContact O-CA 2.99Å; D370-A464 HydrophobicContact CB-CB 4.22Å; D370-A464 PolarHBondContact O-N 3.5Å; D370-K490 WeakPolarHBondContact OD2-CE 3.49Å; D370-K490 IonicContact OD2-NZ 3.64Å; D370-K490 PolarHBondContact OD2-NZ 3.25Å
371	R	55.3	Low	56.1	Low	169 Å²	169	69.6 Å²	69.6	64%	0.638	39%	0.387	S	S	*	.	S	Bend	trans	-158.2	105.4	-179.1	-172.2	-178.4	-176	-170.1	3.6	112.7	D369 V461 Y462	D369-R371 VanDerWaalsContact C-N 3.33Å; R371-V461 HydrophobicContact CG-CG1 3.79Å; R371-Y462 WeakPolarHBondContact CA-O 3.27Å
372	L	66.9	Low	56.6	Low	63 Å²	63	66.3 Å²	66.3	33%	0.33	37%	0.366	S	S	.	.			trans	-123	146.5	174.2	-158.7	72.8	0	0	0	112.1	L367 L374 V461 Y462	L367-L372 HydrophobicContact CD1-CD2 3.66Å; L367-L372 HydrophobicContact CD2-CD2 4.02Å; L367-L372 HydrophobicContact CG-CD2 4.47Å; L372-L374 HydrophobicContact CD2-CD2 4.41Å; L372-L374 PolarHBondContact O-N 2.83Å; L372-V461 WeakPolarHBondContact O-CA 3.46Å; L372-Y462 HydrophobicContact CB-CD1 4.28Å; L372-Y462 HydrophobicContact CB-CE1 3.59Å; L372-Y462 PolarHBondContact O-N 2.82Å
373	M	60.7	Low	57.3	Low	126 Å²	126	62 Å²	62	62%	0.621	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	103	165.8	-166.7	177.1	84	0	0	110	A459 A460 V461	M373-A459 HydrophobicContact CG-CB 4.35Å; M373-A459 HydrophobicContact SD-CB 4.44Å; M373-A460 CarbonylContact C-O 3.58Å; M373-A460 WeakPolarHBondContact CA-O 3.02Å; M373-V461 HydrophobicContact CB-CG2 4.3Å; M373-V461 HydrophobicContact CG-CG2 4.21Å
374	L	63.4	Low	58.4	Low	8 Å²	8	58.9 Å²	58.9	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	151.4	171.6	-51.4	-177.2	0	0	0	110.4	L367 L372 L382 L384 L393 I445 F458 A459 A460 Y462	L367-L374 HydrophobicContact CD1-CD2 3.49Å; L367-L374 VanDerWaalsContact CD1-CD2 3.49Å; L372-L374 HydrophobicContact CD2-CD2 4.41Å; L372-L374 PolarHBondContact O-N 2.83Å; L374-L382 HydrophobicContact CD1-CD2 3.71Å; L374-L382 HydrophobicContact CD2-CD2 3.66Å; L374-L382 HydrophobicContact CG-CD2 4.28Å; L374-L384 HydrophobicContact CD1-CD2 4.39Å; L374-L384 HydrophobicContact CD2-CD2 4.36Å; L374-L393 HydrophobicContact CD1-CD1 4.11Å; L374-I445 HydrophobicContact CD1-CD1 3.78Å; L374-F458 HydrophobicContact CB-CE2 4.33Å; L374-A459 VanDerWaalsContact O-CA 3.23Å; L374-A459 WeakPolarHBondContact O-CA 3.36Å; L374-A460 HydrophobicContact CB-CB 4.5Å; L374-A460 PolarHBondContact N-O 2.68Å; L374-A460 PolarHBondContact O-N 2.74Å; L374-Y462 HydrophobicContact CD1-CD1 4.36Å; L374-Y462 HydrophobicContact CD2-CD1 4.05Å; L374-Y462 HydrophobicContact CD2-CE1 4.1Å; L374-Y462 HydrophobicContact CG-CD1 4.2Å
375	S	66.8	Low	58.8	Low	29 Å²	29	57.8 Å²	57.8	20%	0.203	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.6	171.1	80.5	0	0	0	0	112.5	F377 T378 F458	S375-F377 PolarHBondContact O-N 3.37Å; S375-F377 VanDerWaalsContact O-N 3.14Å; S375-F377 PolarHBondContact OG-N 3.27Å; S375-T378 PolarHBondContact O-N 2.9Å; S375-T378 PolarHBondContact O-OG1 3.2Å; S375-T378 PolarHBondContact OG-OG1 2.9Å; S375-F458 WeakPolarHBondContact CA-O 3.45Å
376	S	63.7	Low	59.2	Low	22 Å²	22	51.8 Å²	51.8	15%	0.154	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.7	174.1	51.1	0	0	0	0	115.1	G457 F458	S376-G457 WeakPolarHBondContact OG-CA 3.47Å; S376-F458 PolarHBondContact N-O 2.72Å; S376-F458 VanDerWaalsContact N-O 3.07Å; S376-F458 PolarHBondContact OG-N 2.83Å
377	F	55	Low	59.2	Low	180 Å²	180	50.9 Å²	50.9	79%	0.789	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.6	178.8	-64.5	-78.3	0	0	0	113.3	S375	S375-F377 PolarHBondContact O-N 3.37Å; S375-F377 VanDerWaalsContact O-N 3.14Å; S375-F377 PolarHBondContact OG-N 3.27Å
378	T	50.2	Low	59.2	Low	96 Å²	96	50.3 Å²	50.3	59%	0.589	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-7.9	-170	53.6	0	0	0	0	114.9	S375	S375-T378 PolarHBondContact O-N 2.9Å; S375-T378 PolarHBondContact O-OG1 3.2Å; S375-T378 PolarHBondContact OG-OG1 2.9Å
379	A	53.7	Low	59.7	Low	14 Å²	14	49.9 Å²	49.9	12%	0.116	26%	0.257	C	S	.	.			trans	-146.6	133.4	-175.9	0	0	0	0	0	114.9	L382	A379-L382 HydrophobicContact CB-CB 4.16Å; A379-L382 HydrophobicContact CB-CD1 4.31Å
380	L	64.4	Low	60.6	Low	92 Å²	92	49 Å²	49	48%	0.482	25%	0.249	S	C	.	.	S	Bend	trans	-97.4	-36.7	158.2	-173.5	79.8	0	0	0	110.4	F447	L380-F447 CarbonylContact C-O 3.52Å; L380-F447 WeakPolarHBondContact CA-O 3.42Å; L380-F447 WeakPolarHBondContact CD1-O 3.32Å; L380-F447 CarbonylContact O-C 3.55Å; L380-F447 PolarHBondContact O-N 3.21Å
381	S	62.9	Low	61.8	Low	29 Å²	29	48.1 Å²	48.1	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138.7	174.4	-52.1	0	0	0	0	108.1	G364 I445	G364-S381 WeakPolarHBondContact CA-O 3.32Å; S381-I445 CarbonylContact C-O 3.51Å
382	L	69.8	Low	63.1	Low	14 Å²	14	41.3 Å²	41.3	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.9	-170.5	-169.7	75.8	0	0	0	109.6	E365 L367 L374 A379 L384 I445	E365-L382 WeakPolarHBondContact O-CD1 3.36Å; L367-L382 HydrophobicContact CD1-CD1 3.89Å; L367-L382 HydrophobicContact CD1-CD2 4.07Å; L367-L382 HydrophobicContact CD1-CG 4.35Å; L367-L382 HydrophobicContact CG-CD1 4.12Å; L374-L382 HydrophobicContact CD1-CD2 3.71Å; L374-L382 HydrophobicContact CD2-CD2 3.66Å; L374-L382 HydrophobicContact CG-CD2 4.28Å; A379-L382 HydrophobicContact CB-CB 4.16Å; A379-L382 HydrophobicContact CB-CD1 4.31Å; L382-L384 HydrophobicContact CD2-CD2 3.74Å; L382-L384 HydrophobicContact CG-CD2 4.24Å; L382-I445 HydrophobicContact CB-CB 4.36Å; L382-I445 HydrophobicContact CD2-CD1 4.48Å; L382-I445 PolarHBondContact N-O 3.27Å; L382-I445 PolarHBondContact O-N 2.86Å
383	M	63.8	Low	64.1	Low	24 Å²	24	38.3 Å²	38.3	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.1	171.5	-169.2	168.4	74.6	0	0	108.5	T206 E365 T366 L367 Y417	T206-M383 HydrophobicContact CG2-CE 3.92Å; T206-M383 HydrophobicContact CG2-SD 4.48Å; E365-M383 PolarHBondContact O-N 3.31Å; T366-M383 CarbonylContact C-O 3.56Å; T366-M383 VanDerWaalsContact CA-O 3.3Å; T366-M383 WeakPolarHBondContact CA-O 3.43Å; T366-M383 HydrophobicContact CG2-CE 3.44Å; T366-M383 VanDerWaalsContact CG2-CE 3.44Å; L367-M383 PolarHBondContact N-O 2.87Å; M383-Y417 VanDerWaalsContact SD-O 3.38Å
384	L	66.1	Low	65.3	Low	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.9	166.1	-52.3	-175.6	0	0	0	107	L367 L374 L382 I391 L393 R442 M443 I445 Y462	L367-L384 HydrophobicContact CB-CD2 4.01Å; L367-L384 HydrophobicContact CD1-CD2 3.96Å; L367-L384 HydrophobicContact CG-CD2 4.5Å; L374-L384 HydrophobicContact CD1-CD2 4.39Å; L374-L384 HydrophobicContact CD2-CD2 4.36Å; L382-L384 HydrophobicContact CD2-CD2 3.74Å; L382-L384 HydrophobicContact CG-CD2 4.24Å; L384-I391 HydrophobicContact CB-CD1 3.64Å; L384-I391 HydrophobicContact CD1-CG2 3.96Å; L384-L393 HydrophobicContact CD1-CD1 4.44Å; L384-R442 WeakPolarHBondContact O-CA 3.01Å; L384-M443 HydrophobicContact CB-CB 4.35Å; L384-M443 HydrophobicContact CD1-SD 4.47Å; L384-M443 PolarHBondContact N-O 2.89Å; L384-M443 PolarHBondContact O-N 3.17Å; L384-I445 HydrophobicContact CD1-CD1 3.65Å; L384-I445 HydrophobicContact CG-CD1 4.01Å; L384-Y462 HydrophobicContact CD1-CD1 3.83Å; L384-Y462 HydrophobicContact CD1-CD2 4.15Å; L384-Y462 HydrophobicContact CD1-CE1 4.44Å; L384-Y462 HydrophobicContact CD1-CG 3.66Å; L384-Y462 HydrophobicContact CD2-CD1 3.72Å; L384-Y462 HydrophobicContact CD2-CE1 3.57Å; L384-Y462 HydrophobicContact CD2-CG 4.3Å; L384-Y462 HydrophobicContact CG-CD1 4.42Å
385	T	57.2	Low	66.4	Low	10 Å²	10	35.7 Å²	35.7	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	99.2	175.6	-66.3	0	0	0	0	107.6	L367 H368 R442	L367-T385 PolarHBondContact O-N 2.77Å; H368-T385 WeakPolarHBondContact CA-O 3.23Å; T385-R442 HydrophobicContact CG2-CG 4.11Å
386	S	59	Low	67.4	Low	7 Å²	7	37.3 Å²	37.3	5%	0.049	20%	0.204	C	C	.	.			trans	-81	152.1	175.1	-179	0	0	0	0	109.5	V388 S441 A464	S386-V388 VanDerWaalsContact OG-CB 3.23Å; S386-V388 WeakPolarHBondContact OG-CB 3.42Å; S386-V388 WeakPolarHBondContact OG-CG2 3.26Å; S386-V388 PolarHBondContact OG-N 2.98Å; S386-V388 PolarHBondContact OG-O 2.85Å; S386-S441 PolarHBondContact N-O 2.91Å; S386-A464 VanDerWaalsContact OG-CB 3.24Å; S386-A464 WeakPolarHBondContact OG-CB 3.49Å
387	T	51.2	Low	68.5	Low	19 Å²	19	39.9 Å²	39.9	12%	0.117	22%	0.218	C	C	.	.	S	Bend	trans	-91.7	21.6	166.3	53	0	0	0	0	111.6	N481	T387-N481 VanDerWaalsContact CB-CA 3.43Å; T387-N481 PolarHBondContact O-N 2.94Å; T387-N481 VanDerWaalsContact O-N 3.13Å; T387-N481 WeakPolarHBondContact OG1-CA 3.34Å; T387-N481 PolarHBondContact OG1-N 2.78Å; T387-N481 PolarHBondContact OG1-OD1 2.82Å
388	V	56.3	Low	70	Confident	8 Å²	8	32 Å²	32	5%	0.048	18%	0.184	C	C	.	.	S	Bend	trans	-136	151.7	-170.6	-154.8	0	0	0	0	108.9	S386 K390 S441 A464 I465 C466 P480	S386-V388 VanDerWaalsContact OG-CB 3.23Å; S386-V388 WeakPolarHBondContact OG-CB 3.42Å; S386-V388 WeakPolarHBondContact OG-CG2 3.26Å; S386-V388 PolarHBondContact OG-N 2.98Å; S386-V388 PolarHBondContact OG-O 2.85Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.21Å; V388-K390 VanDerWaalsContact O-N 3.11Å; V388-S441 WeakPolarHBondContact O-CA 3.39Å; V388-S441 WeakPolarHBondContact O-CB 3.26Å; V388-A464 HydrophobicContact CB-CB 4.16Å; V388-A464 HydrophobicContact CG2-CB 3.89Å; V388-I465 VanDerWaalsContact CG1-C 3.44Å; V388-I465 WeakPolarHBondContact CG1-O 3.22Å; V388-C466 HydrophobicContact CG1-CB 3.39Å; V388-P480 HydrophobicContact CG1-CB 4.26Å; V388-P480 HydrophobicContact CG1-CG 4.17Å; V388-P480 HydrophobicContact CG2-CB 3.97Å
389	T	62.7	Low	71.8	Confident	42 Å²	42	29.6 Å²	29.6	26%	0.258	17%	0.168	S	C	.	.	S	Bend	trans	-60	-28.9	-159.8	46.8	0	0	0	0	116.8	D440 S441 I465 C466 G467	T389-D440 CarbonylContact O-C 3.54Å; T389-D440 WeakPolarHBondContact O-CA 3.37Å; T389-S441 PolarHBondContact O-N 2.98Å; T389-S441 VanDerWaalsContact O-N 3.17Å; T389-I465 PolarHBondContact N-O 2.77Å; T389-I465 PolarHBondContact OG1-O 3.39Å; T389-C466 WeakPolarHBondContact OG1-CA 3.41Å; T389-G467 PolarHBondContact OG1-N 2.72Å
390	K	72	Confident	73.4	Confident	59 Å²	59	29.4 Å²	29.4	26%	0.257	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.5	178.6	-59.8	-179.1	-176.3	173.2	0	111.5	V388 I437 S438 I465	V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.21Å; V388-K390 VanDerWaalsContact O-N 3.11Å; K390-I437 HydrophobicContact CB-CG2 4.36Å; K390-I437 HydrophobicContact CD-CG2 4.33Å; K390-S438 WeakPolarHBondContact CG-O 3.45Å; K390-I465 HydrophobicContact CB-CD1 4.32Å; K390-I465 HydrophobicContact CB-CG1 3.88Å; K390-I465 PolarHBondContact N-O 3.06Å; K390-I465 PolarHBondContact O-N 2.85Å
391	I	77.8	Confident	74.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.6	175.3	-57.2	-177.6	0	0	0	108.4	L384 I437 S438 S441 M443 Y462	L384-I391 HydrophobicContact CB-CD1 3.64Å; L384-I391 HydrophobicContact CD1-CG2 3.96Å; I391-I437 WeakPolarHBondContact O-CA 3.47Å; I391-S438 PolarHBondContact N-OG 2.96Å; I391-S438 PolarHBondContact O-N 3.13Å; I391-S438 PolarHBondContact O-OG 2.93Å; I391-S441 WeakPolarHBondContact CD1-O 3.34Å; I391-M443 HydrophobicContact CB-CB 4.42Å; I391-M443 HydrophobicContact CB-CE 4.15Å; I391-M443 HydrophobicContact CD1-CB 4.1Å; I391-M443 HydrophobicContact CG2-CE 4.14Å; I391-M443 HydrophobicContact CG2-SD 4.44Å; I391-M443 VanDerWaalsContact O-CE 3.29Å; I391-M443 WeakPolarHBondContact O-CE 3.36Å; I391-Y462 HydrophobicContact CG2-CD2 4.11Å
392	V	82.6	Confident	75.4	Confident	26 Å²	26	34.8 Å²	34.8	16%	0.158	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131	168.7	-177.4	0	0	0	0	108	V435 L436 I437 Y462 E463 I465	V392-V435 HydrophobicContact CG1-CG1 3.37Å; V392-L436 CarbonylContact C-O 3.58Å; V392-L436 WeakPolarHBondContact CA-O 3.46Å; V392-I437 HydrophobicContact CG2-CG1 4.39Å; V392-I437 HydrophobicContact CG2-CG2 4.45Å; V392-Y462 CarbonylContact O-C 3.5Å; V392-Y462 WeakPolarHBondContact O-CA 3.47Å; V392-Y462 WeakPolarHBondContact O-CB 3.33Å; V392-E463 PolarHBondContact N-O 3.32Å; V392-E463 PolarHBondContact O-N 2.8Å; V392-I465 HydrophobicContact CG2-CD1 3.55Å; V392-I465 HydrophobicContact CG2-CG1 3.89Å; V392-I465 HydrophobicContact CG2-CG2 3.85Å
393	L	86.1	Confident	76	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.5	176	-179.3	70.5	0	0	0	110.1	L374 L384 F395 V413 L436 M443 I445 A460	L374-L393 HydrophobicContact CD1-CD1 4.11Å; L384-L393 HydrophobicContact CD1-CD1 4.44Å; L393-F395 HydrophobicContact CD2-CE2 3.63Å; L393-F395 HydrophobicContact CD2-CZ 3.73Å; L393-F395 HydrophobicContact CG-CE2 3.97Å; L393-F395 HydrophobicContact CG-CZ 4.33Å; L393-V413 HydrophobicContact CD2-CG1 3.99Å; L393-V413 HydrophobicContact CD2-CG2 4Å; L393-L436 HydrophobicContact CB-CB 4.4Å; L393-L436 HydrophobicContact CD2-CD1 4.46Å; L393-L436 PolarHBondContact N-O 3.42Å; L393-L436 PolarHBondContact O-N 3.44Å; L393-M443 HydrophobicContact CB-CE 4.2Å; L393-M443 HydrophobicContact CB-SD 3.84Å; L393-M443 HydrophobicContact CD2-SD 3.91Å; L393-M443 HydrophobicContact CG-SD 4.47Å; L393-I445 HydrophobicContact CD1-CD1 4.01Å; L393-I445 HydrophobicContact CD2-CD1 3.58Å; L393-I445 HydrophobicContact CD2-CG1 4.25Å; L393-I445 HydrophobicContact CG-CD1 4.46Å; L393-A460 HydrophobicContact CD1-CB 3.88Å
394	N	86.4	Confident	76.6	Confident	74 Å²	74	38.1 Å²	38.1	40%	0.396	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.4	-176.5	-174.7	0.8	0	0	0	110.6	T396 V435 A460 V461	N394-T396 PolarHBondContact O-N 3.05Å; N394-V435 HydrophobicContact CB-CG2 4.43Å; N394-A460 CarbonylContact O-C 3.6Å; N394-A460 VanDerWaalsContact O-CA 3.29Å; N394-A460 WeakPolarHBondContact O-CA 3.44Å; N394-V461 PolarHBondContact N-O 2.79Å; N394-V461 PolarHBondContact O-N 3.11Å
395	F	87.7	Confident	77.2	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.2	-178.9	-73.8	-90.1	0	0	0	110.9	L393 I411 V413 I432 P433 L436 F458 A460	L393-F395 HydrophobicContact CD2-CE2 3.63Å; L393-F395 HydrophobicContact CD2-CZ 3.73Å; L393-F395 HydrophobicContact CG-CE2 3.97Å; L393-F395 HydrophobicContact CG-CZ 4.33Å; F395-I411 HydrophobicContact CE1-CD1 3.88Å; F395-I411 HydrophobicContact CE1-CG2 4.24Å; F395-I411 HydrophobicContact CZ-CG2 4.07Å; F395-V413 HydrophobicContact CE2-CG2 4.47Å; F395-V413 HydrophobicContact CZ-CG2 4.14Å; F395-I432 HydrophobicContact CB-CG2 4.12Å; F395-I432 VanDerWaalsContact O-CG2 3.29Å; F395-I432 WeakPolarHBondContact O-CG2 3.08Å; F395-P433 HydrophobicContact CB-CG 4.32Å; F395-P433 HydrophobicContact CD2-CG 3.47Å; F395-P433 VanDerWaalsContact CD2-CG 3.47Å; F395-P433 HydrophobicContact CE2-CG 3.96Å; F395-P433 HydrophobicContact CG-CG 3.99Å; F395-L436 HydrophobicContact CE2-CD1 4.18Å; F395-F458 HydrophobicContact CD1-CD2 4.25Å; F395-F458 AromaticContact CE1-CD2 3.96Å; F395-F458 HydrophobicContact CE1-CD2 3.96Å; F395-F458 HydrophobicContact CE1-CE2 4.38Å; F395-A460 HydrophobicContact CD1-CB 3.69Å; F395-A460 HydrophobicContact CE1-CB 3.91Å; F395-A460 HydrophobicContact CG-CB 4.1Å
396	T	86.9	Confident	78.5	Confident	63 Å²	63	44.7 Å²	44.7	39%	0.387	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-30.7	179.6	54.5	0	0	0	0	112.4	N394 A459 V461	N394-T396 PolarHBondContact O-N 3.05Å; T396-A459 PolarHBondContact N-O 3.05Å; T396-A459 WeakPolarHBondContact OG1-CB 3.45Å; T396-A459 PolarHBondContact OG1-O 3.01Å; T396-V461 HydrophobicContact CG2-CG2 3.97Å
397	T	86	Confident	79.5	Confident	76 Å²	76	52 Å²	52	47%	0.466	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.3	171.8	64.2	0	0	0	0	111.7	F458 A459	T397-F458 VanDerWaalsContact O-CA 3.31Å; T397-F458 WeakPolarHBondContact O-CA 3.2Å; T397-F458 WeakPolarHBondContact O-CB 3.15Å; T397-A459 PolarHBondContact N-O 3.24Å; T397-A459 VanDerWaalsContact N-O 3.08Å; T397-A459 PolarHBondContact O-N 2.66Å; T397-A459 VanDerWaalsContact O-O 3.14Å; T397-A459 WeakPolarHBondContact OG1-CB 3.35Å; T397-A459 PolarHBondContact OG1-N 2.76Å; T397-A459 VanDerWaalsContact OG1-N 3.14Å
398	M	88.3	Confident	81	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.069	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	134	169.4	-166.2	176.9	74.1	0	0	110.5	L400 I411 F427 G429 K431 G457 F458	M398-L400 HydrophobicContact CG-CD1 4.13Å; M398-L400 HydrophobicContact CG-CG 4.07Å; M398-L400 HydrophobicContact SD-CD1 4.28Å; M398-I411 HydrophobicContact CG-CD1 4.31Å; M398-I411 HydrophobicContact SD-CD1 4.02Å; M398-F427 HydrophobicContact CE-CB 4.34Å; M398-F427 HydrophobicContact SD-CB 3.96Å; M398-G429 WeakPolarHBondContact CE-O 3.48Å; M398-K431 WeakPolarHBondContact CE-O 3.36Å; M398-G457 CarbonylContact C-O 3.57Å; M398-G457 WeakPolarHBondContact CA-O 3.14Å; M398-F458 HydrophobicContact CG-CB 4.32Å
399	D	87.6	Confident	82.4	Confident	46 Å²	46	56.7 Å²	56.7	25%	0.246	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	77.4	-175.4	-176	29.6	0	0	0	108.9	K456 G457	D399-K456 HydrophobicContact CB-CB 4.03Å; D399-K456 VanDerWaalsContact OD2-CB 3.32Å; D399-K456 WeakPolarHBondContact OD2-CB 3.38Å; D399-K456 VanDerWaalsContact OD2-CG 3.3Å; D399-K456 WeakPolarHBondContact OD2-CG 3.24Å; D399-K456 PolarHBondContact OD2-N 2.04Å; D399-G457 PolarHBondContact N-O 2.51Å; D399-G457 PolarHBondContact O-N 2.92Å
400	L	86.5	Confident	83.6	Confident	9 Å²	9	55.5 Å²	55.5	5%	0.047	27%	0.274	C	S	.	.			trans	-120.3	160.2	-174.4	-64.6	-176.8	0	0	0	112.3	M398 K402 I411 G429 F447	M398-L400 HydrophobicContact CG-CD1 4.13Å; M398-L400 HydrophobicContact CG-CG 4.07Å; M398-L400 HydrophobicContact SD-CD1 4.28Å; L400-K402 PolarHBondContact O-N 2.86Å; L400-I411 HydrophobicContact CD1-CD1 3.69Å; L400-I411 HydrophobicContact CD1-CG1 3.71Å; L400-G429 PolarHBondContact N-O 3.06Å; L400-G429 CarbonylContact O-C 3.59Å; L400-G429 WeakPolarHBondContact O-CA 3.1Å; L400-G429 PolarHBondContact O-N 3.46Å; L400-F447 HydrophobicContact CD1-CD2 4.4Å; L400-F447 HydrophobicContact CD1-CE2 3.96Å; L400-F447 HydrophobicContact CD2-CE2 3.53Å; L400-F447 HydrophobicContact CD2-CZ 3.87Å; L400-F447 HydrophobicContact CG-CE2 4.42Å
401	Y	84.9	Confident	84.5	Confident	95 Å²	95	52.7 Å²	52.7	37%	0.373	26%	0.262	S	S	.	.			trans	-64.4	111.8	-179.8	-174.7	-100	0	0	0	112.4	S403 Y408 D409 W453	Y401-S403 PolarHBondContact O-N 3.11Å; Y401-Y408 HydrophobicContact CD1-CD2 4.12Å; Y401-Y408 HydrophobicContact CD1-CG 4.41Å; Y401-Y408 AromaticContact CE1-CD2 3.86Å; Y401-Y408 HydrophobicContact CE1-CD2 3.86Å; Y401-Y408 HydrophobicContact CE1-CE2 4.46Å; Y401-Y408 HydrophobicContact CE1-CG 4.46Å; Y401-D409 WeakPolarHBondContact CB-OD2 3.48Å; Y401-W453 HydrophobicContact CD2-CB 3.77Å; Y401-W453 HydrophobicContact CD2-CD2 4.1Å; Y401-W453 HydrophobicContact CD2-CE3 4.42Å; Y401-W453 AromaticContact CD2-CG 3.84Å; Y401-W453 HydrophobicContact CD2-CG 3.84Å; Y401-W453 HydrophobicContact CE2-CB 4.44Å; Y401-W453 HydrophobicContact CG-CB 4.47Å; Y401-W453 VanDerWaalsContact N-CZ3 3.33Å
402	K	84.3	Confident	85.1	Confident	139 Å²	139	53.4 Å²	53.4	60%	0.604	27%	0.265	S	S	*	.			trans	-69.8	114.7	-177.1	-162.7	166.7	-167.9	155.5	0	110.7	L400 D430	L400-K402 PolarHBondContact O-N 2.86Å; K402-D430 IonicContact NZ-OD1 3.72Å; K402-D430 PolarHBondContact NZ-OD1 3.32Å; K402-D430 IonicContact NZ-OD2 2.7Å
403	S	82.8	Confident	85.4	Confident	23 Å²	23	52.1 Å²	52.1	16%	0.161	26%	0.257	C	S	.	.			trans	-140.3	152.5	-177.3	54.8	0	0	0	0	112.6	Y401 L405 C406 W407	Y401-S403 PolarHBondContact O-N 3.11Å; S403-L405 PolarHBondContact O-N 2.8Å; S403-C406 PolarHBondContact O-N 2.77Å; S403-C406 VanDerWaalsContact O-N 3.14Å; S403-W407 PolarHBondContact OG-N 2.71Å
404	S	77.1	Confident	85.4	Confident	85 Å²	85	54.2 Å²	54.2	59%	0.594	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-58.7	125.9	173.6	51.1	0	0	0	0	110.1	C406	S404-C406 PolarHBondContact O-N 3.28Å
405	L	77.1	Confident	85.1	Confident	131 Å²	131	52.4 Å²	52.4	69%	0.686	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	59	19.1	-177.8	-55.7	171.8	0	0	0	114.8	S403 W407	S403-L405 PolarHBondContact O-N 2.8Å; L405-W407 HydrophobicContact CD1-CZ2 3.75Å; L405-W407 PolarHBondContact O-N 2.78Å
406	C	85.8	Confident	84.1	Confident	17 Å²	17	52.8 Å²	52.8	12%	0.115	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	49.7	54.2	178.7	-59.3	0	0	0	0	112.8	S403 S404 Y410 R426 C428	S403-C406 PolarHBondContact O-N 2.77Å; S403-C406 VanDerWaalsContact O-N 3.14Å; S404-C406 PolarHBondContact O-N 3.28Å; C406-Y410 WeakPolarHBondContact O-CB 3.07Å; C406-Y410 WeakPolarHBondContact O-CD1 3.27Å; C406-R426 HydrophobicContact CB-CG 4.3Å; C406-R426 PolarHBondContact O-NE 2.74Å; C406-R426 VanDerWaalsContact O-NE 3.14Å; C406-R426 PolarHBondContact O-NH2 3.17Å; C406-C428 WeakPolarHBondContact CA-SG 3.11Å; C406-C428 HydrophobicContact CB-CB 3.59Å; C406-C428 WeakPolarHBondContact CB-SG 2.88Å; C406-C428 WeakPolarHBondContact SG-CB 3.42Å; C406-C428 PolarHBondContact SG-N 3.45Å; C406-C428 VanDerWaalsContact SG-N 3.37Å; C406-C428 CovalentContact SG-SG 2.04Å; C406-C428 PolarHBondContact SG-SG 2.85Å
407	W	80.5	Confident	82.9	Confident	162 Å²	162	51.9 Å²	51.9	61%	0.614	25%	0.251	S	S	*	.			trans	-81.5	-35.4	-175.8	-75.2	-19.4	0	0	0	114.4	S403 L405	S403-W407 PolarHBondContact OG-N 2.71Å; L405-W407 HydrophobicContact CD1-CZ2 3.75Å; L405-W407 PolarHBondContact O-N 2.78Å
408	Y	81.9	Confident	81.6	Confident	121 Å²	121	53 Å²	53	48%	0.475	25%	0.246	S	C	.	.	S	Bend	trans	-88.9	-68	-173.2	-65.6	-75.1	0	0	0	113.1	Y401 S450	Y401-Y408 HydrophobicContact CD1-CD2 4.12Å; Y401-Y408 HydrophobicContact CD1-CG 4.41Å; Y401-Y408 AromaticContact CE1-CD2 3.86Å; Y401-Y408 HydrophobicContact CE1-CD2 3.86Å; Y401-Y408 HydrophobicContact CE1-CE2 4.46Å; Y401-Y408 HydrophobicContact CE1-CG 4.46Å; Y408-S450 WeakPolarHBondContact CA-OG 3.43Å; Y408-S450 PolarHBondContact O-N 2.69Å; Y408-S450 VanDerWaalsContact O-N 3.16Å; Y408-S450 PolarHBondContact O-OG 2.62Å
409	D	85.4	Confident	80.5	Confident	3 Å²	3	61 Å²	61	2%	0.016	28%	0.276	C	S	.	.	S	Bend	trans	-112.7	126.4	176.6	-57.2	-21.4	0	0	0	108.3	Y401 C428 R448 S449 S450 S451	Y401-D409 WeakPolarHBondContact CB-OD2 3.48Å; D409-C428 WeakPolarHBondContact O-CB 3.35Å; D409-R448 CarbonylContact C-O 3.53Å; D409-R448 VanDerWaalsContact CA-O 3.29Å; D409-R448 WeakPolarHBondContact CA-O 3.06Å; D409-S449 WeakPolarHBondContact OD1-CA 3.4Å; D409-S449 WeakPolarHBondContact OD1-CB 3.25Å; D409-S449 PolarHBondContact OD1-OG 2.86Å; D409-S450 PolarHBondContact OD1-N 2.79Å; D409-S451 WeakPolarHBondContact OD1-CB 3.19Å; D409-S451 PolarHBondContact OD1-N 3.09Å; D409-S451 PolarHBondContact OD1-OG 2.86Å; D409-S451 WeakPolarHBondContact OD2-CB 3.33Å; D409-S451 PolarHBondContact OD2-OG 3.18Å
410	Y	88.7	Confident	79.5	Confident	17 Å²	17	66 Å²	66	7%	0.067	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	151	-175.9	71.7	-96.3	0	0	0	113.2	C406 E412 R426 F427 E446 F447 R448	C406-Y410 WeakPolarHBondContact O-CB 3.07Å; C406-Y410 WeakPolarHBondContact O-CD1 3.27Å; Y410-E412 HydrophobicContact CD2-CB 3.79Å; Y410-E412 HydrophobicContact CE2-CB 3.63Å; Y410-R426 HydrophobicContact CD2-CG 4.06Å; Y410-R426 HydrophobicContact CG-CG 4.39Å; Y410-R426 PolarHBondContact OH-NH1 2.98Å; Y410-F427 CarbonylContact C-O 3.58Å; Y410-F427 VanDerWaalsContact CA-O 3.28Å; Y410-F427 WeakPolarHBondContact CA-O 3.29Å; Y410-E446 WeakPolarHBondContact CE2-OE2 3.2Å; Y410-E446 PolarHBondContact OH-OE2 2.7Å; Y410-F447 WeakPolarHBondContact O-CA 3.46Å; Y410-F447 VanDerWaalsContact O-CD2 3.32Å; Y410-F447 WeakPolarHBondContact O-CD2 3.41Å; Y410-R448 HydrophobicContact CD1-CB 4.29Å; Y410-R448 HydrophobicContact CE1-CB 3.88Å; Y410-R448 HydrophobicContact CE1-CG 4.39Å; Y410-R448 PolarHBondContact N-O 2.93Å; Y410-R448 PolarHBondContact O-N 3.34Å; Y410-R448 WeakPolarHBondContact OH-CD 3.2Å
411	I	89.6	Confident	78.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.2	163.1	-58	159	0	0	0	107.1	F395 M398 L400 V413 R426 F427 I445 E446 F447 F458	F395-I411 HydrophobicContact CE1-CD1 3.88Å; F395-I411 HydrophobicContact CE1-CG2 4.24Å; F395-I411 HydrophobicContact CZ-CG2 4.07Å; M398-I411 HydrophobicContact CG-CD1 4.31Å; M398-I411 HydrophobicContact SD-CD1 4.02Å; L400-I411 HydrophobicContact CD1-CD1 3.69Å; L400-I411 HydrophobicContact CD1-CG1 3.71Å; I411-V413 HydrophobicContact CG2-CG2 4.07Å; I411-R426 CarbonylContact O-C 3.44Å; I411-R426 VanDerWaalsContact O-CA 3.29Å; I411-R426 WeakPolarHBondContact O-CA 3.3Å; I411-F427 PolarHBondContact N-O 3.46Å; I411-F427 PolarHBondContact O-N 2.96Å; I411-I445 HydrophobicContact CG2-CG2 3.9Å; I411-E446 CarbonylContact C-O 3.58Å; I411-E446 WeakPolarHBondContact CA-O 3.01Å; I411-F447 HydrophobicContact CG1-CD2 3.81Å; I411-F458 HydrophobicContact CD1-CB 3.7Å; I411-F458 HydrophobicContact CD1-CD1 3.5Å; I411-F458 HydrophobicContact CD1-CD2 3.95Å; I411-F458 HydrophobicContact CD1-CE1 4.08Å; I411-F458 HydrophobicContact CD1-CE2 4.46Å; I411-F458 HydrophobicContact CD1-CG 3.44Å; I411-F458 VanDerWaalsContact CD1-CG 3.44Å; I411-F458 HydrophobicContact CG1-CD1 3.94Å; I411-F458 HydrophobicContact CG1-CE1 4.11Å; I411-F458 HydrophobicContact CG1-CG 4.34Å
412	E	90.1	Very high	78.8	Confident	15 Å²	15	65.5 Å²	65.5	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.6	177.4	-169.8	172.1	107.5	0	0	109.4	Y410 R414 L423 R426 I445 E446	Y410-E412 HydrophobicContact CD2-CB 3.79Å; Y410-E412 HydrophobicContact CE2-CB 3.63Å; E412-R414 IonicContact OE1-CZ 3.2Å; E412-R414 IonicContact OE1-NE 3.35Å; E412-R414 PolarHBondContact OE1-NE 2.88Å; E412-R414 IonicContact OE1-NH2 2.74Å; E412-R414 PolarHBondContact OE1-NH2 3.23Å; E412-R414 IonicContact OE2-NH2 2.7Å; E412-L423 HydrophobicContact CG-CD1 3.45Å; E412-L423 VanDerWaalsContact CG-CD1 3.45Å; E412-R426 HydrophobicContact CB-CG 4.46Å; E412-R426 HydrophobicContact CG-CB 4.45Å; E412-R426 IonicContact OE2-CZ 3.58Å; E412-R426 IonicContact OE2-NH1 3.57Å; E412-R426 PolarHBondContact OE2-NH1 2.94Å; E412-I445 WeakPolarHBondContact O-CA 3.11Å; E412-E446 PolarHBondContact N-O 3.36Å; E412-E446 PolarHBondContact O-N 2.95Å
413	V	90.3	Very high	78.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	-175.3	-173.9	0	0	0	0	109	L393 F395 I411 L424 G425 F427 L436 M443 W444 I445	L393-V413 HydrophobicContact CD2-CG1 3.99Å; L393-V413 HydrophobicContact CD2-CG2 4Å; F395-V413 HydrophobicContact CE2-CG2 4.47Å; F395-V413 HydrophobicContact CZ-CG2 4.14Å; I411-V413 HydrophobicContact CG2-CG2 4.07Å; V413-L424 HydrophobicContact CB-CB 4.47Å; V413-L424 HydrophobicContact CG1-CB 4.31Å; V413-L424 HydrophobicContact CG1-CD1 4.12Å; V413-L424 WeakPolarHBondContact O-CB 3.05Å; V413-L424 PolarHBondContact O-N 2.94Å; V413-G425 PolarHBondContact N-O 2.82Å; V413-G425 PolarHBondContact O-N 2.85Å; V413-F427 HydrophobicContact CB-CE2 4.38Å; V413-F427 HydrophobicContact CG2-CD2 4.36Å; V413-F427 HydrophobicContact CG2-CE2 3.97Å; V413-L436 HydrophobicContact CB-CD1 3.87Å; V413-L436 HydrophobicContact CG1-CD1 3.85Å; V413-L436 HydrophobicContact CG2-CD1 3.92Å; V413-M443 HydrophobicContact CG1-CG 3.9Å; V413-M443 HydrophobicContact CG1-SD 3.61Å; V413-W444 CarbonylContact C-O 3.33Å; V413-W444 WeakPolarHBondContact CA-O 3.16Å; V413-I445 HydrophobicContact CG1-CG1 4.3Å; V413-I445 HydrophobicContact CG2-CG1 4.42Å; V413-I445 HydrophobicContact CG2-CG2 4.46Å
414	R	85.1	Confident	79.2	Confident	43 Å²	43	64.8 Å²	64.8	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.6	-175.6	-62.4	-176.6	173.6	-91.8	-2.2	112.4	E412 G416 R419 A421 P422 L423 M443 W444	E412-R414 IonicContact OE1-CZ 3.2Å; E412-R414 IonicContact OE1-NE 3.35Å; E412-R414 PolarHBondContact OE1-NE 2.88Å; E412-R414 IonicContact OE1-NH2 2.74Å; E412-R414 PolarHBondContact OE1-NH2 3.23Å; E412-R414 IonicContact OE2-NH2 2.7Å; R414-G416 PolarHBondContact O-N 3.38Å; R414-R419 PolarHBondContact NE-O 2.91Å; R414-A421 HydrophobicContact CB-CB 4.11Å; R414-A421 WeakPolarHBondContact CD-O 2.96Å; R414-A421 PolarHBondContact NH1-O 3.37Å; R414-P422 CarbonylContact C-O 3.6Å; R414-P422 WeakPolarHBondContact CA-O 3.44Å; R414-P422 WeakPolarHBondContact CB-O 3.28Å; R414-L423 HydrophobicContact CG-CD1 4.16Å; R414-M443 WeakPolarHBondContact O-CG 3.23Å; R414-W444 HydrophobicContact CB-CB 4.38Å; R414-W444 HydrophobicContact CB-CE3 4.02Å; R414-W444 HydrophobicContact CG-CE3 3.76Å; R414-W444 HydrophobicContact CG-CZ3 4.07Å; R414-W444 PolarHBondContact N-O 2.81Å; R414-W444 PolarHBondContact O-N 2.75Å
415	D	80.1	Confident	79.8	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.193	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	91.4	-176.5	-163.1	11.5	0	0	0	110.6	A421 P422 L424 S438 A439	D415-A421 WeakPolarHBondContact O-CB 3.48Å; D415-P422 HydrophobicContact CB-CB 4.26Å; D415-P422 PolarHBondContact N-O 3.07Å; D415-P422 WeakPolarHBondContact O-CD 3.31Å; D415-L424 HydrophobicContact CB-CD1 4.04Å; D415-L424 HydrophobicContact CB-CD2 3.91Å; D415-L424 HydrophobicContact CB-CG 3.82Å; D415-S438 WeakPolarHBondContact OD1-CA 3.28Å; D415-S438 WeakPolarHBondContact OD1-CB 3.07Å; D415-A439 PolarHBondContact OD1-N 2.88Å; D415-A439 WeakPolarHBondContact OD2-CB 3.33Å; D415-A439 PolarHBondContact OD2-N 2.84Å
416	G	67.2	Low	80.5	Confident	13 Å²	13	58.9 Å²	58.9	13%	0.134	26%	0.264	C	S	.	.	S	Bend	trans	127.7	-163	-171.8	0	0	0	0	0	112.9	R414 R442 M443 W444	R414-G416 PolarHBondContact O-N 3.38Å; G416-R442 VanDerWaalsContact CA-O 3.24Å; G416-R442 WeakPolarHBondContact CA-O 3.41Å; G416-R442 PolarHBondContact N-O 2.62Å; G416-M443 CarbonylContact O-C 3.53Å; G416-M443 VanDerWaalsContact O-CA 3.29Å; G416-M443 WeakPolarHBondContact O-CA 3.47Å; G416-M443 PolarHBondContact O-N 3.13Å; G416-W444 WeakPolarHBondContact O-CB 3.17Å; G416-W444 PolarHBondContact O-N 3.35Å
417	Y	62.6	Low	80.8	Confident	44 Å²	44	59.8 Å²	59.8	17%	0.173	27%	0.266	C	S	.	.	S	Bend	trans	-101.9	-3.3	-160.3	68.7	-89.4	0	0	0	115.8	V175 I208 M383	V175-Y417 HydrophobicContact CG1-CE2 4.22Å; V175-Y417 HydrophobicContact CG2-CE2 3.84Å; I208-Y417 HydrophobicContact CG2-CD1 4.34Å; I208-Y417 HydrophobicContact CG2-CE1 3.82Å; M383-Y417 VanDerWaalsContact SD-O 3.38Å
418	W	57.3	Low	81.2	Confident	99 Å²	99	53.1 Å²	53.1	38%	0.375	24%	0.244	S	C	.	.	S	Bend	trans	-148.8	162.8	-170.1	74.1	-56.1	0	0	0	115.1	K420 A421	W418-K420 HydrophobicContact CD2-CB 3.96Å; W418-K420 HydrophobicContact CD2-CG 4.43Å; W418-K420 HydrophobicContact CE3-CB 3.97Å; W418-K420 HydrophobicContact CE3-CD 4.44Å; W418-K420 HydrophobicContact CE3-CG 3.93Å; W418-K420 HydrophobicContact CH2-CB 3.8Å; W418-K420 HydrophobicContact CH2-CD 3.52Å; W418-K420 HydrophobicContact CH2-CG 3.86Å; W418-K420 HydrophobicContact CZ2-CB 3.72Å; W418-K420 HydrophobicContact CZ2-CD 4.22Å; W418-K420 HydrophobicContact CZ2-CG 4.31Å; W418-K420 HydrophobicContact CZ3-CB 3.9Å; W418-K420 HydrophobicContact CZ3-CD 3.64Å; W418-K420 HydrophobicContact CZ3-CG 3.63Å; W418-K420 PolarHBondContact O-N 2.85Å; W418-A421 WeakPolarHBondContact O-CB 3.37Å; W418-A421 PolarHBondContact O-N 3.28Å
419	R	65.4	Low	81.5	Confident	183 Å²	183	47.5 Å²	47.5	69%	0.691	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-5.4	-177.6	69.4	178	178.3	136.6	-1.3	117.6	R414 W444	R414-R419 PolarHBondContact NE-O 2.91Å; R419-W444 HydrophobicContact CB-CH2 3.59Å; R419-W444 HydrophobicContact CB-CZ2 3.52Å; R419-W444 HydrophobicContact CB-CZ3 4.36Å
420	K	67.8	Low	81.7	Confident	150 Å²	150	52 Å²	52	65%	0.652	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-0.7	170.3	-56	-165.6	-156.8	167.2	0	113.8	W418	W418-K420 HydrophobicContact CD2-CB 3.96Å; W418-K420 HydrophobicContact CD2-CG 4.43Å; W418-K420 HydrophobicContact CE3-CB 3.97Å; W418-K420 HydrophobicContact CE3-CD 4.44Å; W418-K420 HydrophobicContact CE3-CG 3.93Å; W418-K420 HydrophobicContact CH2-CB 3.8Å; W418-K420 HydrophobicContact CH2-CD 3.52Å; W418-K420 HydrophobicContact CH2-CG 3.86Å; W418-K420 HydrophobicContact CZ2-CB 3.72Å; W418-K420 HydrophobicContact CZ2-CD 4.22Å; W418-K420 HydrophobicContact CZ2-CG 4.31Å; W418-K420 HydrophobicContact CZ3-CB 3.9Å; W418-K420 HydrophobicContact CZ3-CD 3.64Å; W418-K420 HydrophobicContact CZ3-CG 3.63Å; W418-K420 PolarHBondContact O-N 2.85Å
421	A	72.9	Confident	81.7	Confident	5 Å²	5	58 Å²	58	4%	0.041	27%	0.273	C	S	.	.	S	Bend	trans	-58.8	155.4	173.9	0	0	0	0	0	111.1	R414 D415 W418 L423	R414-A421 HydrophobicContact CB-CB 4.11Å; R414-A421 WeakPolarHBondContact CD-O 2.96Å; R414-A421 PolarHBondContact NH1-O 3.37Å; D415-A421 WeakPolarHBondContact O-CB 3.48Å; W418-A421 WeakPolarHBondContact O-CB 3.37Å; W418-A421 PolarHBondContact O-N 3.28Å; A421-L423 PolarHBondContact O-N 3.41Å
422	P	82	Confident	81.7	Confident	90 Å²	90	61.7 Å²	61.7	58%	0.584	29%	0.292	S	S	*	.			trans	-48.5	139.8	179.5	-28.6	34.5	0	0	0	113	R414 D415 L424	R414-P422 CarbonylContact C-O 3.6Å; R414-P422 WeakPolarHBondContact CA-O 3.44Å; R414-P422 WeakPolarHBondContact CB-O 3.28Å; D415-P422 HydrophobicContact CB-CB 4.26Å; D415-P422 PolarHBondContact N-O 3.07Å; D415-P422 WeakPolarHBondContact O-CD 3.31Å; P422-L424 PolarHBondContact O-N 2.82Å
423	L	87.1	Confident	81.7	Confident	92 Å²	92	61.5 Å²	61.5	48%	0.482	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.2	-176.6	-178.6	68.1	0	0	0	110.3	E412 R414 A421 G425	E412-L423 HydrophobicContact CG-CD1 3.45Å; E412-L423 VanDerWaalsContact CG-CD1 3.45Å; R414-L423 HydrophobicContact CG-CD1 4.16Å; A421-L423 PolarHBondContact O-N 3.41Å; L423-G425 WeakPolarHBondContact CD1-O 3.35Å
424	L	89.3	Confident	81.6	Confident	55 Å²	55	67.5 Å²	67.5	29%	0.288	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-37.4	170.4	-66.7	174.2	0	0	0	110.7	V413 D415 P422 M443	V413-L424 HydrophobicContact CB-CB 4.47Å; V413-L424 HydrophobicContact CG1-CB 4.31Å; V413-L424 HydrophobicContact CG1-CD1 4.12Å; V413-L424 WeakPolarHBondContact O-CB 3.05Å; V413-L424 PolarHBondContact O-N 2.94Å; D415-L424 HydrophobicContact CB-CD1 4.04Å; D415-L424 HydrophobicContact CB-CD2 3.91Å; D415-L424 HydrophobicContact CB-CG 3.82Å; P422-L424 PolarHBondContact O-N 2.82Å; L424-M443 HydrophobicContact CD1-CE 3.98Å; L424-M443 HydrophobicContact CD1-CG 4.45Å
425	G	89.5	Confident	81.7	Confident	11 Å²	11	69.2 Å²	69.2	11%	0.113	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	171.9	169.4	0	0	0	0	0	114.5	V413 L423 F427	V413-G425 PolarHBondContact N-O 2.82Å; V413-G425 PolarHBondContact O-N 2.85Å; L423-G425 WeakPolarHBondContact CD1-O 3.35Å; G425-F427 VanDerWaalsContact C-CE2 3.48Å
426	R	91.3	Very high	82	Confident	80 Å²	80	68.6 Å²	68.6	30%	0.302	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.1	179.1	-176.5	179	172.3	122.8	-6	109.3	C406 Y410 I411 E412	C406-R426 HydrophobicContact CB-CG 4.3Å; C406-R426 PolarHBondContact O-NE 2.74Å; C406-R426 VanDerWaalsContact O-NE 3.14Å; C406-R426 PolarHBondContact O-NH2 3.17Å; Y410-R426 HydrophobicContact CD2-CG 4.06Å; Y410-R426 HydrophobicContact CG-CG 4.39Å; Y410-R426 PolarHBondContact OH-NH1 2.98Å; I411-R426 CarbonylContact O-C 3.44Å; I411-R426 VanDerWaalsContact O-CA 3.29Å; I411-R426 WeakPolarHBondContact O-CA 3.3Å; E412-R426 HydrophobicContact CB-CG 4.46Å; E412-R426 HydrophobicContact CG-CB 4.45Å; E412-R426 IonicContact OE2-CZ 3.58Å; E412-R426 IonicContact OE2-NH1 3.57Å; E412-R426 PolarHBondContact OE2-NH1 2.94Å
427	F	92.1	Very high	82.7	Confident	37 Å²	37	72.3 Å²	72.3	16%	0.162	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.8	-162	-47	-73.2	0	0	0	111.6	M398 Y410 I411 V413 G425 P433 L436	M398-F427 HydrophobicContact CE-CB 4.34Å; M398-F427 HydrophobicContact SD-CB 3.96Å; Y410-F427 CarbonylContact C-O 3.58Å; Y410-F427 VanDerWaalsContact CA-O 3.28Å; Y410-F427 WeakPolarHBondContact CA-O 3.29Å; I411-F427 PolarHBondContact N-O 3.46Å; I411-F427 PolarHBondContact O-N 2.96Å; V413-F427 HydrophobicContact CB-CE2 4.38Å; V413-F427 HydrophobicContact CG2-CD2 4.36Å; V413-F427 HydrophobicContact CG2-CE2 3.97Å; G425-F427 VanDerWaalsContact C-CE2 3.48Å; F427-P433 HydrophobicContact CD1-CB 3.56Å; F427-P433 HydrophobicContact CD1-CG 3.98Å; F427-P433 HydrophobicContact CD2-CG 4.38Å; F427-P433 HydrophobicContact CE1-CB 3.42Å; F427-P433 VanDerWaalsContact CE1-CB 3.42Å; F427-P433 HydrophobicContact CE1-CG 4.1Å; F427-P433 HydrophobicContact CE2-CG 4.5Å; F427-P433 HydrophobicContact CG-CB 4.21Å; F427-P433 HydrophobicContact CG-CG 4.11Å; F427-P433 HydrophobicContact CZ-CB 3.98Å; F427-P433 HydrophobicContact CZ-CG 4.34Å; F427-L436 HydrophobicContact CE2-CD1 3.67Å; F427-L436 HydrophobicContact CZ-CD1 3.8Å; F427-L436 HydrophobicContact CZ-CD2 4.16Å
428	C	90.1	Very high	83.7	Confident	22 Å²	22	70.3 Å²	70.3	15%	0.149	34%	0.344	C	S	.	.			trans	-160.2	168.4	176	65.4	0	0	0	0	110.2	C406 D409	C406-C428 WeakPolarHBondContact CA-SG 3.11Å; C406-C428 HydrophobicContact CB-CB 3.59Å; C406-C428 WeakPolarHBondContact CB-SG 2.88Å; C406-C428 WeakPolarHBondContact SG-CB 3.42Å; C406-C428 PolarHBondContact SG-N 3.45Å; C406-C428 VanDerWaalsContact SG-N 3.37Å; C406-C428 CovalentContact SG-SG 2.04Å; C406-C428 PolarHBondContact SG-SG 2.85Å; D409-C428 WeakPolarHBondContact O-CB 3.35Å
429	G	88.4	Confident	84.3	Confident	2 Å²	2	69 Å²	69	2%	0.021	35%	0.354	C	S	.	.	S	Bend	trans	83.1	-147.1	-172.8	0	0	0	0	0	112.8	M398 L400	M398-G429 WeakPolarHBondContact CE-O 3.48Å; L400-G429 PolarHBondContact N-O 3.06Å; L400-G429 CarbonylContact O-C 3.59Å; L400-G429 WeakPolarHBondContact O-CA 3.1Å; L400-G429 PolarHBondContact O-N 3.46Å
430	D	88	Confident	84.4	Confident	99 Å²	99	64.7 Å²	64.7	53%	0.529	35%	0.345	S	S	.	.	S	Bend	trans	-110.6	-15.1	-169.4	52.6	-22.7	0	0	0	113.5	K402 I432	K402-D430 IonicContact NZ-OD1 3.72Å; K402-D430 PolarHBondContact NZ-OD1 3.32Å; K402-D430 IonicContact NZ-OD2 2.7Å; D430-I432 PolarHBondContact O-N 2.78Å
431	K	89.5	Confident	84.4	Confident	143 Å²	143	58.9 Å²	58.9	62%	0.622	32%	0.324	S	S	*	.			trans	-82.7	104.1	-177.7	-167.1	-145.1	167.2	-164.4	0	110.9	M398	M398-K431 WeakPolarHBondContact CE-O 3.36Å
432	I	88.9	Confident	84.3	Confident	76 Å²	76	60.6 Å²	60.6	39%	0.39	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-49	129.1	166.2	-69.3	170.9	0	0	0	109.8	F395 D430	F395-I432 HydrophobicContact CB-CG2 4.12Å; F395-I432 VanDerWaalsContact O-CG2 3.29Å; F395-I432 WeakPolarHBondContact O-CG2 3.08Å; D430-I432 PolarHBondContact O-N 2.78Å
433	P	90.6	Very high	84.1	Confident	12 Å²	12	56.3 Å²	56.3	8%	0.078	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-79.5	163.5	175.5	34.1	-36.6	0	0	0	112.1	F395 F427	F395-P433 HydrophobicContact CB-CG 4.32Å; F395-P433 HydrophobicContact CD2-CG 3.47Å; F395-P433 VanDerWaalsContact CD2-CG 3.47Å; F395-P433 HydrophobicContact CE2-CG 3.96Å; F395-P433 HydrophobicContact CG-CG 3.99Å; F427-P433 HydrophobicContact CD1-CB 3.56Å; F427-P433 HydrophobicContact CD1-CG 3.98Å; F427-P433 HydrophobicContact CD2-CG 4.38Å; F427-P433 HydrophobicContact CE1-CB 3.42Å; F427-P433 VanDerWaalsContact CE1-CB 3.42Å; F427-P433 HydrophobicContact CE1-CG 4.1Å; F427-P433 HydrophobicContact CE2-CG 4.5Å; F427-P433 HydrophobicContact CG-CB 4.21Å; F427-P433 HydrophobicContact CG-CG 4.11Å; F427-P433 HydrophobicContact CZ-CB 3.98Å; F427-P433 HydrophobicContact CZ-CG 4.34Å
434	D	88.4	Confident	83.8	Confident	125 Å²	125	53.1 Å²	53.1	67%	0.668	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-65	156.1	172.4	-52.1	-75.2	0	0	0	111.1	L436	D434-L436 PolarHBondContact O-N 2.66Å
435	V	86.3	Confident	83.5	Confident	79 Å²	79	50.7 Å²	50.7	48%	0.479	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-60	127.2	-174.7	178.1	0	0	0	0	110.9	V392 N394	V392-V435 HydrophobicContact CG1-CG1 3.37Å; N394-V435 HydrophobicContact CB-CG2 4.43Å
436	L	88	Confident	83.2	Confident	24 Å²	24	51.5 Å²	51.5	13%	0.126	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.3	-179.4	-53.4	178.5	0	0	0	110.1	V392 L393 F395 V413 F427 D434	V392-L436 CarbonylContact C-O 3.58Å; V392-L436 WeakPolarHBondContact CA-O 3.46Å; L393-L436 HydrophobicContact CB-CB 4.4Å; L393-L436 HydrophobicContact CD2-CD1 4.46Å; L393-L436 PolarHBondContact N-O 3.42Å; L393-L436 PolarHBondContact O-N 3.44Å; F395-L436 HydrophobicContact CE2-CD1 4.18Å; V413-L436 HydrophobicContact CB-CD1 3.87Å; V413-L436 HydrophobicContact CG1-CD1 3.85Å; V413-L436 HydrophobicContact CG2-CD1 3.92Å; F427-L436 HydrophobicContact CE2-CD1 3.67Å; F427-L436 HydrophobicContact CZ-CD1 3.8Å; F427-L436 HydrophobicContact CZ-CD2 4.16Å; D434-L436 PolarHBondContact O-N 2.66Å
437	I	82.2	Confident	82.9	Confident	90 Å²	90	49 Å²	49	46%	0.462	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.5	178.9	-48.7	179.2	0	0	0	107.6	K390 I391 V392	K390-I437 HydrophobicContact CB-CG2 4.36Å; K390-I437 HydrophobicContact CD-CG2 4.33Å; I391-I437 WeakPolarHBondContact O-CA 3.47Å; V392-I437 HydrophobicContact CG2-CG1 4.39Å; V392-I437 HydrophobicContact CG2-CG2 4.45Å
438	S	83.4	Confident	82.4	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.014	28%	0.277	C	S	.	.			trans	-77.6	154.9	172.5	55.9	0	0	0	0	112.1	K390 I391 D415 D440	K390-S438 WeakPolarHBondContact CG-O 3.45Å; I391-S438 PolarHBondContact N-OG 2.96Å; I391-S438 PolarHBondContact O-N 3.13Å; I391-S438 PolarHBondContact O-OG 2.93Å; D415-S438 WeakPolarHBondContact OD1-CA 3.28Å; D415-S438 WeakPolarHBondContact OD1-CB 3.07Å; S438-D440 VanDerWaalsContact C-N 3.28Å; S438-D440 VanDerWaalsContact CB-O 3.29Å; S438-D440 WeakPolarHBondContact CB-O 3.25Å; S438-D440 PolarHBondContact OG-O 2.82Å
439	A	69.2	Low	81.9	Confident	71 Å²	71	55.2 Å²	55.2	59%	0.587	29%	0.291	S	S	*	.	S	Bend	trans	-70.7	-26.6	171.4	0	0	0	0	0	112.5	D415	D415-A439 PolarHBondContact OD1-N 2.88Å; D415-A439 WeakPolarHBondContact OD2-CB 3.33Å; D415-A439 PolarHBondContact OD2-N 2.84Å
440	D	67.1	Low	81.3	Confident	94 Å²	94	59 Å²	59	50%	0.503	32%	0.317	S	S	.	.	S	Bend	trans	-138.3	177.7	-173.2	-149.6	-54.9	0	0	0	111.8	T389 S438 R442	T389-D440 CarbonylContact O-C 3.54Å; T389-D440 WeakPolarHBondContact O-CA 3.37Å; S438-D440 VanDerWaalsContact C-N 3.28Å; S438-D440 VanDerWaalsContact CB-O 3.29Å; S438-D440 WeakPolarHBondContact CB-O 3.25Å; S438-D440 PolarHBondContact OG-O 2.82Å; D440-R442 PolarHBondContact O-N 3.35Å
441	S	68.4	Low	80.4	Confident	28 Å²	28	55.3 Å²	55.3	20%	0.196	30%	0.299	C	S	.	.	S	Bend	trans	-57.1	-2.5	177.5	57.6	0	0	0	0	117.6	S386 V388 T389 I391	S386-S441 PolarHBondContact N-O 2.91Å; V388-S441 WeakPolarHBondContact O-CA 3.39Å; V388-S441 WeakPolarHBondContact O-CB 3.26Å; T389-S441 PolarHBondContact O-N 2.98Å; T389-S441 VanDerWaalsContact O-N 3.17Å; I391-S441 WeakPolarHBondContact CD1-O 3.34Å
442	R	69.8	Low	79.5	Confident	40 Å²	40	56.9 Å²	56.9	15%	0.151	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.7	-174	-63.8	-178.3	173.2	-175.2	-11.3	111.3	E200 F207 L384 T385 G416 D440	E200-R442 IonicContact OE1-CZ 2.66Å; E200-R442 IonicContact OE1-NH1 2.7Å; E200-R442 IonicContact OE1-NH2 2.76Å; E200-R442 PolarHBondContact OE1-NH2 2.82Å; E200-R442 IonicContact OE2-NH2 3.27Å; E200-R442 PolarHBondContact OE2-NH2 3.02Å; F207-R442 PolarHBondContact O-NH1 2.94Å; L384-R442 WeakPolarHBondContact O-CA 3.01Å; T385-R442 HydrophobicContact CG2-CG 4.11Å; G416-R442 VanDerWaalsContact CA-O 3.24Å; G416-R442 WeakPolarHBondContact CA-O 3.41Å; G416-R442 PolarHBondContact N-O 2.62Å; D440-R442 PolarHBondContact O-N 3.35Å
443	M	78.8	Confident	78.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.3	177	-173.7	-171.6	-70.8	0	0	110.6	L384 I391 L393 V413 R414 G416 L424	L384-M443 HydrophobicContact CB-CB 4.35Å; L384-M443 HydrophobicContact CD1-SD 4.47Å; L384-M443 PolarHBondContact N-O 2.89Å; L384-M443 PolarHBondContact O-N 3.17Å; I391-M443 HydrophobicContact CB-CB 4.42Å; I391-M443 HydrophobicContact CB-CE 4.15Å; I391-M443 HydrophobicContact CD1-CB 4.1Å; I391-M443 HydrophobicContact CG2-CE 4.14Å; I391-M443 HydrophobicContact CG2-SD 4.44Å; I391-M443 VanDerWaalsContact O-CE 3.29Å; I391-M443 WeakPolarHBondContact O-CE 3.36Å; L393-M443 HydrophobicContact CB-CE 4.2Å; L393-M443 HydrophobicContact CB-SD 3.84Å; L393-M443 HydrophobicContact CD2-SD 3.91Å; L393-M443 HydrophobicContact CG-SD 4.47Å; V413-M443 HydrophobicContact CG1-CG 3.9Å; V413-M443 HydrophobicContact CG1-SD 3.61Å; R414-M443 WeakPolarHBondContact O-CG 3.23Å; G416-M443 CarbonylContact O-C 3.53Å; G416-M443 VanDerWaalsContact O-CA 3.29Å; G416-M443 WeakPolarHBondContact O-CA 3.47Å; G416-M443 PolarHBondContact O-N 3.13Å; L424-M443 HydrophobicContact CD1-CE 3.98Å; L424-M443 HydrophobicContact CD1-CG 4.45Å
444	W	79.8	Confident	77.8	Confident	25 Å²	25	64.2 Å²	64.2	10%	0.095	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.6	-176.8	-179.9	89.5	0	0	0	110.4	V413 R414 G416 R419 E446	V413-W444 CarbonylContact C-O 3.33Å; V413-W444 WeakPolarHBondContact CA-O 3.16Å; R414-W444 HydrophobicContact CB-CB 4.38Å; R414-W444 HydrophobicContact CB-CE3 4.02Å; R414-W444 HydrophobicContact CG-CE3 3.76Å; R414-W444 HydrophobicContact CG-CZ3 4.07Å; R414-W444 PolarHBondContact N-O 2.81Å; R414-W444 PolarHBondContact O-N 2.75Å; G416-W444 WeakPolarHBondContact O-CB 3.17Å; G416-W444 PolarHBondContact O-N 3.35Å; R419-W444 HydrophobicContact CB-CH2 3.59Å; R419-W444 HydrophobicContact CB-CZ2 3.52Å; R419-W444 HydrophobicContact CB-CZ3 4.36Å; W444-E446 HydrophobicContact CE3-CB 4.25Å; W444-E446 HydrophobicContact CH2-CB 3.33Å; W444-E446 HydrophobicContact CH2-CG 3.95Å; W444-E446 HydrophobicContact CZ2-CB 3.78Å; W444-E446 HydrophobicContact CZ2-CG 4.29Å; W444-E446 HydrophobicContact CZ3-CB 3.56Å
445	I	83.9	Confident	77	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.8	-176.9	-55.2	172.6	0	0	0	108.5	L374 S381 L382 L384 L393 I411 E412 V413	L374-I445 HydrophobicContact CD1-CD1 3.78Å; S381-I445 CarbonylContact C-O 3.51Å; L382-I445 HydrophobicContact CB-CB 4.36Å; L382-I445 HydrophobicContact CD2-CD1 4.48Å; L382-I445 PolarHBondContact N-O 3.27Å; L382-I445 PolarHBondContact O-N 2.86Å; L384-I445 HydrophobicContact CD1-CD1 3.65Å; L384-I445 HydrophobicContact CG-CD1 4.01Å; L393-I445 HydrophobicContact CD1-CD1 4.01Å; L393-I445 HydrophobicContact CD2-CD1 3.58Å; L393-I445 HydrophobicContact CD2-CG1 4.25Å; L393-I445 HydrophobicContact CG-CD1 4.46Å; I411-I445 HydrophobicContact CG2-CG2 3.9Å; E412-I445 WeakPolarHBondContact O-CA 3.11Å; V413-I445 HydrophobicContact CG1-CG1 4.3Å; V413-I445 HydrophobicContact CG2-CG1 4.42Å; V413-I445 HydrophobicContact CG2-CG2 4.46Å
446	E	83	Confident	76.6	Confident	27 Å²	27	64 Å²	64	13%	0.126	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.9	171.6	-173.7	-170.2	-115.2	0	0	109.5	Y410 I411 E412 W444 R448	Y410-E446 WeakPolarHBondContact CE2-OE2 3.2Å; Y410-E446 PolarHBondContact OH-OE2 2.7Å; I411-E446 CarbonylContact C-O 3.58Å; I411-E446 WeakPolarHBondContact CA-O 3.01Å; E412-E446 PolarHBondContact N-O 3.36Å; E412-E446 PolarHBondContact O-N 2.95Å; W444-E446 HydrophobicContact CE3-CB 4.25Å; W444-E446 HydrophobicContact CH2-CB 3.33Å; W444-E446 HydrophobicContact CH2-CG 3.95Å; W444-E446 HydrophobicContact CZ2-CB 3.78Å; W444-E446 HydrophobicContact CZ2-CG 4.29Å; W444-E446 HydrophobicContact CZ3-CB 3.56Å; E446-R448 VanDerWaalsContact CD-CD 3.44Å; E446-R448 HydrophobicContact CG-CG 3.78Å; E446-R448 WeakPolarHBondContact OE2-CD 3.44Å
447	F	85.6	Confident	76.3	Confident	27 Å²	27	63.2 Å²	63.2	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.8	166.2	171.8	-118.6	0	0	0	108.4	L380 L400 Y410 I411 F458	L380-F447 CarbonylContact C-O 3.52Å; L380-F447 WeakPolarHBondContact CA-O 3.42Å; L380-F447 WeakPolarHBondContact CD1-O 3.32Å; L380-F447 CarbonylContact O-C 3.55Å; L380-F447 PolarHBondContact O-N 3.21Å; L400-F447 HydrophobicContact CD1-CD2 4.4Å; L400-F447 HydrophobicContact CD1-CE2 3.96Å; L400-F447 HydrophobicContact CD2-CE2 3.53Å; L400-F447 HydrophobicContact CD2-CZ 3.87Å; L400-F447 HydrophobicContact CG-CE2 4.42Å; Y410-F447 WeakPolarHBondContact O-CA 3.46Å; Y410-F447 VanDerWaalsContact O-CD2 3.32Å; Y410-F447 WeakPolarHBondContact O-CD2 3.41Å; I411-F447 HydrophobicContact CG1-CD2 3.81Å; F447-F458 HydrophobicContact CB-CE1 3.86Å; F447-F458 HydrophobicContact CB-CZ 4.43Å; F447-F458 HydrophobicContact CD1-CE1 4.25Å; F447-F458 HydrophobicContact CD2-CD1 4.39Å; F447-F458 HydrophobicContact CD2-CE1 4.15Å; F447-F458 HydrophobicContact CG-CD1 4.44Å; F447-F458 AromaticContact CG-CE1 3.8Å; F447-F458 HydrophobicContact CG-CE1 3.8Å
448	R	80.8	Confident	76.5	Confident	127 Å²	127	59.3 Å²	59.3	48%	0.479	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.2	172	-61.7	-175.8	76.4	-174.4	0.6	109.6	D409 Y410 E446	D409-R448 CarbonylContact C-O 3.53Å; D409-R448 VanDerWaalsContact CA-O 3.29Å; D409-R448 WeakPolarHBondContact CA-O 3.06Å; Y410-R448 HydrophobicContact CD1-CB 4.29Å; Y410-R448 HydrophobicContact CE1-CB 3.88Å; Y410-R448 HydrophobicContact CE1-CG 4.39Å; Y410-R448 PolarHBondContact N-O 2.93Å; Y410-R448 PolarHBondContact O-N 3.34Å; Y410-R448 WeakPolarHBondContact OH-CD 3.2Å; E446-R448 VanDerWaalsContact CD-CD 3.44Å; E446-R448 HydrophobicContact CG-CG 3.78Å; E446-R448 WeakPolarHBondContact OE2-CD 3.44Å
449	S	80.3	Confident	76.5	Confident	64 Å²	64	59.7 Å²	59.7	45%	0.448	33%	0.326	S	S	.	.			trans	-117.4	141.6	163.5	178.4	0	0	0	0	109.6	D409	D409-S449 WeakPolarHBondContact OD1-CA 3.4Å; D409-S449 WeakPolarHBondContact OD1-CB 3.25Å; D409-S449 PolarHBondContact OD1-OG 2.86Å
450	S	75.6	Confident	77.2	Confident	80 Å²	80	56.3 Å²	56.3	56%	0.559	30%	0.298	S	S	*	.			trans	-147.3	6	173.3	63.7	0	0	0	0	113	Y408 D409	Y408-S450 WeakPolarHBondContact CA-OG 3.43Å; Y408-S450 PolarHBondContact O-N 2.69Å; Y408-S450 VanDerWaalsContact O-N 3.16Å; Y408-S450 PolarHBondContact O-OG 2.62Å; D409-S450 PolarHBondContact OD1-N 2.79Å
451	S	69.4	Low	77.8	Confident	23 Å²	23	53.4 Å²	53.4	16%	0.161	28%	0.283	C	S	.	.	S	Bend	trans	-81.6	163.3	168.1	91.7	0	0	0	0	111.6	D409 W453	D409-S451 WeakPolarHBondContact OD1-CB 3.19Å; D409-S451 PolarHBondContact OD1-N 3.09Å; D409-S451 PolarHBondContact OD1-OG 2.86Å; D409-S451 WeakPolarHBondContact OD2-CB 3.33Å; D409-S451 PolarHBondContact OD2-OG 3.18Å; S451-W453 WeakPolarHBondContact OG-CB 3.32Å; S451-W453 PolarHBondContact OG-N 2.78Å; S451-W453 PolarHBondContact OG-O 3.34Å
452	N	70.4	Confident	78.4	Confident	176 Å²	176	52.1 Å²	52.1	94%	0.941	27%	0.274	S	S	*	.	S	Bend	trans	-89.6	14	168.4	-67.6	-14.1	0	0	0	112.1
453	W	74.3	Confident	78.4	Confident	105 Å²	105	54.7 Å²	54.7	40%	0.398	29%	0.288	S	S	.	.			trans	-102.7	139.1	-176.5	177.8	91.5	0	0	0	110.3	Y401 S451 G455	Y401-W453 HydrophobicContact CD2-CB 3.77Å; Y401-W453 HydrophobicContact CD2-CD2 4.1Å; Y401-W453 HydrophobicContact CD2-CE3 4.42Å; Y401-W453 AromaticContact CD2-CG 3.84Å; Y401-W453 HydrophobicContact CD2-CG 3.84Å; Y401-W453 HydrophobicContact CE2-CB 4.44Å; Y401-W453 HydrophobicContact CG-CB 4.47Å; Y401-W453 VanDerWaalsContact N-CZ3 3.33Å; S451-W453 WeakPolarHBondContact OG-CB 3.32Å; S451-W453 PolarHBondContact OG-N 2.78Å; S451-W453 PolarHBondContact OG-O 3.34Å; W453-G455 VanDerWaalsContact CZ3-N 3.27Å
454	V	68.6	Low	77.9	Confident	137 Å²	137	54.9 Å²	54.9	83%	0.83	29%	0.289	S	S	*	.			trans	-117.4	105.2	-176	-176.1	0	0	0	0	109.1
455	G	72.3	Confident	77.5	Confident	27 Å²	27	56.6 Å²	56.6	28%	0.278	30%	0.3	S	S	.	.			trans	-93.1	-177.5	170	0	0	0	0	0	112.4	W453 G457	W453-G455 VanDerWaalsContact CZ3-N 3.27Å; G455-G457 PolarHBondContact O-N 2.5Å
456	K	78.5	Confident	77.3	Confident	172 Å²	172	57.4 Å²	57.4	75%	0.748	31%	0.306	S	S	*	.			trans	-72.7	-9.6	170.1	-61.2	164.7	-172.6	168.9	0	112.7	D399	D399-K456 HydrophobicContact CB-CB 4.03Å; D399-K456 VanDerWaalsContact OD2-CB 3.32Å; D399-K456 WeakPolarHBondContact OD2-CB 3.38Å; D399-K456 VanDerWaalsContact OD2-CG 3.3Å; D399-K456 WeakPolarHBondContact OD2-CG 3.24Å; D399-K456 PolarHBondContact OD2-N 2.04Å
457	G	80.9	Confident	77	Confident	7 Å²	7	56.6 Å²	56.6	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-130.4	176.9	0	0	0	0	0	112.1	S376 M398 D399 G455	S376-G457 WeakPolarHBondContact OG-CA 3.47Å; M398-G457 CarbonylContact C-O 3.57Å; M398-G457 WeakPolarHBondContact CA-O 3.14Å; D399-G457 PolarHBondContact N-O 2.51Å; D399-G457 PolarHBondContact O-N 2.92Å; G455-G457 PolarHBondContact O-N 2.5Å
458	F	86.4	Confident	76.8	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158	177.8	74.8	-84.8	0	0	0	111.5	L374 S375 S376 F395 T397 M398 I411 F447 A460	L374-F458 HydrophobicContact CB-CE2 4.33Å; S375-F458 WeakPolarHBondContact CA-O 3.45Å; S376-F458 PolarHBondContact N-O 2.72Å; S376-F458 VanDerWaalsContact N-O 3.07Å; S376-F458 PolarHBondContact OG-N 2.83Å; F395-F458 HydrophobicContact CD1-CD2 4.25Å; F395-F458 AromaticContact CE1-CD2 3.96Å; F395-F458 HydrophobicContact CE1-CD2 3.96Å; F395-F458 HydrophobicContact CE1-CE2 4.38Å; T397-F458 VanDerWaalsContact O-CA 3.31Å; T397-F458 WeakPolarHBondContact O-CA 3.2Å; T397-F458 WeakPolarHBondContact O-CB 3.15Å; M398-F458 HydrophobicContact CG-CB 4.32Å; I411-F458 HydrophobicContact CD1-CB 3.7Å; I411-F458 HydrophobicContact CD1-CD1 3.5Å; I411-F458 HydrophobicContact CD1-CD2 3.95Å; I411-F458 HydrophobicContact CD1-CE1 4.08Å; I411-F458 HydrophobicContact CD1-CE2 4.46Å; I411-F458 HydrophobicContact CD1-CG 3.44Å; I411-F458 VanDerWaalsContact CD1-CG 3.44Å; I411-F458 HydrophobicContact CG1-CD1 3.94Å; I411-F458 HydrophobicContact CG1-CE1 4.11Å; I411-F458 HydrophobicContact CG1-CG 4.34Å; F447-F458 HydrophobicContact CB-CE1 3.86Å; F447-F458 HydrophobicContact CB-CZ 4.43Å; F447-F458 HydrophobicContact CD1-CE1 4.25Å; F447-F458 HydrophobicContact CD2-CD1 4.39Å; F447-F458 HydrophobicContact CD2-CE1 4.15Å; F447-F458 HydrophobicContact CG-CD1 4.44Å; F447-F458 AromaticContact CG-CE1 3.8Å; F447-F458 HydrophobicContact CG-CE1 3.8Å; F458-A460 HydrophobicContact CD2-CB 4.46Å
459	A	84	Confident	77	Confident	11 Å²	11	56.4 Å²	56.4	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.2	160.6	0	0	0	0	0	109.8	M373 L374 T396 T397	M373-A459 HydrophobicContact CG-CB 4.35Å; M373-A459 HydrophobicContact SD-CB 4.44Å; L374-A459 VanDerWaalsContact O-CA 3.23Å; L374-A459 WeakPolarHBondContact O-CA 3.36Å; T396-A459 PolarHBondContact N-O 3.05Å; T396-A459 WeakPolarHBondContact OG1-CB 3.45Å; T396-A459 PolarHBondContact OG1-O 3.01Å; T397-A459 PolarHBondContact N-O 3.24Å; T397-A459 VanDerWaalsContact N-O 3.08Å; T397-A459 PolarHBondContact O-N 2.66Å; T397-A459 VanDerWaalsContact O-O 3.14Å; T397-A459 WeakPolarHBondContact OG1-CB 3.35Å; T397-A459 PolarHBondContact OG1-N 2.76Å; T397-A459 VanDerWaalsContact OG1-N 3.14Å
460	A	82.7	Confident	77.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	139	178	0	0	0	0	0	109.9	M373 L374 L393 N394 F395 F458	M373-A460 CarbonylContact C-O 3.58Å; M373-A460 WeakPolarHBondContact CA-O 3.02Å; L374-A460 HydrophobicContact CB-CB 4.5Å; L374-A460 PolarHBondContact N-O 2.68Å; L374-A460 PolarHBondContact O-N 2.74Å; L393-A460 HydrophobicContact CD1-CB 3.88Å; N394-A460 CarbonylContact O-C 3.6Å; N394-A460 VanDerWaalsContact O-CA 3.29Å; N394-A460 WeakPolarHBondContact O-CA 3.44Å; F395-A460 HydrophobicContact CD1-CB 3.69Å; F395-A460 HydrophobicContact CE1-CB 3.91Å; F395-A460 HydrophobicContact CG-CB 4.1Å; F458-A460 HydrophobicContact CD2-CB 4.46Å
461	V	80.3	Confident	77.8	Confident	32 Å²	32	56.4 Å²	56.4	19%	0.194	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.3	169.2	178.3	0	0	0	0	106.9	R371 L372 M373 N394 T396	R371-V461 HydrophobicContact CG-CG1 3.79Å; L372-V461 WeakPolarHBondContact O-CA 3.46Å; M373-V461 HydrophobicContact CB-CG2 4.3Å; M373-V461 HydrophobicContact CG-CG2 4.21Å; N394-V461 PolarHBondContact N-O 2.79Å; N394-V461 PolarHBondContact O-N 3.11Å; T396-V461 HydrophobicContact CG2-CG2 3.97Å
462	Y	80.7	Confident	78.3	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.008	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	157.4	165.3	78.9	-94.6	0	0	0	110.5	L367 D369 R371 L372 L374 L384 I391 V392	L367-Y462 HydrophobicContact CB-CE1 4.34Å; L367-Y462 HydrophobicContact CD1-CE1 4.12Å; D369-Y462 PolarHBondContact N-OH 3.27Å; D369-Y462 WeakPolarHBondContact O-CE2 3.46Å; D369-Y462 VanDerWaalsContact O-CZ 3.28Å; D369-Y462 PolarHBondContact O-OH 3.41Å; R371-Y462 WeakPolarHBondContact CA-O 3.27Å; L372-Y462 HydrophobicContact CB-CD1 4.28Å; L372-Y462 HydrophobicContact CB-CE1 3.59Å; L372-Y462 PolarHBondContact O-N 2.82Å; L374-Y462 HydrophobicContact CD1-CD1 4.36Å; L374-Y462 HydrophobicContact CD2-CD1 4.05Å; L374-Y462 HydrophobicContact CD2-CE1 4.1Å; L374-Y462 HydrophobicContact CG-CD1 4.2Å; L384-Y462 HydrophobicContact CD1-CD1 3.83Å; L384-Y462 HydrophobicContact CD1-CD2 4.15Å; L384-Y462 HydrophobicContact CD1-CE1 4.44Å; L384-Y462 HydrophobicContact CD1-CG 3.66Å; L384-Y462 HydrophobicContact CD2-CD1 3.72Å; L384-Y462 HydrophobicContact CD2-CE1 3.57Å; L384-Y462 HydrophobicContact CD2-CG 4.3Å; L384-Y462 HydrophobicContact CG-CD1 4.42Å; I391-Y462 HydrophobicContact CG2-CD2 4.11Å; V392-Y462 CarbonylContact O-C 3.5Å; V392-Y462 WeakPolarHBondContact O-CA 3.47Å; V392-Y462 WeakPolarHBondContact O-CB 3.33Å
463	E	70.9	Confident	78.9	Confident	94 Å²	94	55.7 Å²	55.7	44%	0.439	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.1	177.7	-176.1	162	-160.7	0	0	110.7	D370 V392 I465	D370-E463 WeakPolarHBondContact O-CA 2.99Å; V392-E463 PolarHBondContact N-O 3.32Å; V392-E463 PolarHBondContact O-N 2.8Å; E463-I465 HydrophobicContact CG-CG2 4.23Å
464	A	67.3	Low	79.2	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112.8	175.6	0	0	0	0	0	111	D370 S386 V388	D370-A464 HydrophobicContact CB-CB 4.22Å; D370-A464 PolarHBondContact O-N 3.5Å; S386-A464 VanDerWaalsContact OG-CB 3.24Å; S386-A464 WeakPolarHBondContact OG-CB 3.49Å; V388-A464 HydrophobicContact CB-CB 4.16Å; V388-A464 HydrophobicContact CG2-CB 3.89Å
465	I	72.8	Confident	79.5	Confident	62 Å²	62	49 Å²	49	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.8	-179.4	69.5	167.3	0	0	0	112.3	V388 T389 K390 V392 E463	V388-I465 VanDerWaalsContact CG1-C 3.44Å; V388-I465 WeakPolarHBondContact CG1-O 3.22Å; T389-I465 PolarHBondContact N-O 2.77Å; T389-I465 PolarHBondContact OG1-O 3.39Å; K390-I465 HydrophobicContact CB-CD1 4.32Å; K390-I465 HydrophobicContact CB-CG1 3.88Å; K390-I465 PolarHBondContact N-O 3.06Å; K390-I465 PolarHBondContact O-N 2.85Å; V392-I465 HydrophobicContact CG2-CD1 3.55Å; V392-I465 HydrophobicContact CG2-CG1 3.89Å; V392-I465 HydrophobicContact CG2-CG2 3.85Å; E463-I465 HydrophobicContact CG-CG2 4.23Å
466	C	77.9	Confident	79.7	Confident	22 Å²	22	50.9 Å²	50.9	15%	0.149	28%	0.28	C	S	.	.			trans	-101.9	151.4	174.1	42	0	0	0	0	111.5	V388 T389 P480 E491 C492 W494	V388-C466 HydrophobicContact CG1-CB 3.39Å; T389-C466 WeakPolarHBondContact OG1-CA 3.41Å; C466-P480 HydrophobicContact CB-CG 4.25Å; C466-E491 PolarHBondContact SG-O 3.36Å; C466-C492 HydrophobicContact CB-CB 3.45Å; C466-C492 VanDerWaalsContact CB-CB 3.45Å; C466-C492 WeakPolarHBondContact CB-SG 3.3Å; C466-C492 WeakPolarHBondContact SG-CA 3.4Å; C466-C492 WeakPolarHBondContact SG-CB 3.43Å; C466-C492 CovalentContact SG-SG 2.02Å; C466-C492 PolarHBondContact SG-SG 3.16Å; C466-W494 HydrophobicContact CB-CZ2 4.35Å
467	G	78.6	Confident	79.9	Confident	9 Å²	9	42.9 Å²	42.9	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.2	-153.9	173.9	0	0	0	0	0	114.6	T389 V493	T389-G467 PolarHBondContact OG1-N 2.72Å; G467-V493 CarbonylContact C-O 3.39Å; G467-V493 WeakPolarHBondContact CA-O 3.48Å
468	G	81.4	Confident	80	Confident	33 Å²	33	44.5 Å²	44.5	34%	0.34	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	100.1	-175.3	-174.9	0	0	0	0	0	113.6	V493 W494 R495	G468-V493 PolarHBondContact N-O 3.46Å; G468-W494 WeakPolarHBondContact O-CA 3.07Å; G468-R495 PolarHBondContact O-N 2.94Å
469	E	83.1	Confident	79.8	Confident	117 Å²	117	44.2 Å²	44.2	55%	0.547	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.9	-179.3	-49.7	-169.8	172.5	0	0	111	R495	E469-R495 VanDerWaalsContact CD-NH1 3.27Å; E469-R495 IonicContact OE1-CZ 2.67Å; E469-R495 VanDerWaalsContact OE1-CZ 3.23Å; E469-R495 IonicContact OE1-NH1 3.96Å; E469-R495 PolarHBondContact OE1-NH1 2.85Å; E469-R495 IonicContact OE1-NH2 3.44Å; E469-R495 PolarHBondContact OE1-NH2 2.91Å; E469-R495 IonicContact OE2-CZ 3.57Å; E469-R495 IonicContact OE2-NH1 3.8Å; E469-R495 IonicContact OE2-NH2 2.68Å; E469-R495 PolarHBondContact OE2-NH2 3.02Å
470	I	84.6	Confident	79.4	Confident	32 Å²	32	43.7 Å²	43.7	16%	0.164	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	103.5	179.6	-61.3	177.4	0	0	0	108.8	K472 I477 R495 T497 F575	I470-K472 HydrophobicContact CG2-CB 4.22Å; I470-K472 HydrophobicContact CG2-CD 4.5Å; I470-K472 HydrophobicContact CG2-CG 4.29Å; I470-I477 HydrophobicContact CD1-CD1 3.94Å; I470-I477 HydrophobicContact CD1-CG1 4.08Å; I470-R495 PolarHBondContact N-O 3.38Å; I470-T497 PolarHBondContact O-N 2.81Å; I470-F575 HydrophobicContact CG2-CE1 4.12Å; I470-F575 HydrophobicContact CG2-CE2 4.03Å; I470-F575 HydrophobicContact CG2-CZ 3.46Å; I470-F575 VanDerWaalsContact CG2-CZ 3.46Å
471	T	88.7	Confident	78.6	Confident	112 Å²	112	44.9 Å²	44.9	69%	0.687	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	81.3	174.1	51.2	0	0	0	0	110.2	T497	T471-T497 WeakPolarHBondContact CA-O 3.12Å
472	K	81.1	Confident	77.7	Confident	132 Å²	132	43.9 Å²	43.9	57%	0.574	25%	0.245	S	C	*	.			trans	-147.6	145.3	-178	-67.1	-173.9	179.7	179.5	0	110.2	I470 S474 T497 F575	I470-K472 HydrophobicContact CG2-CB 4.22Å; I470-K472 HydrophobicContact CG2-CD 4.5Å; I470-K472 HydrophobicContact CG2-CG 4.29Å; K472-S474 VanDerWaalsContact C-N 3.26Å; K472-S474 PolarHBondContact O-N 2.94Å; K472-T497 PolarHBondContact N-O 2.81Å; K472-T497 VanDerWaalsContact N-O 3.16Å; K472-F575 HydrophobicContact CB-CE2 4.19Å; K472-F575 HydrophobicContact CB-CZ 4.21Å
473	D	82.9	Confident	76.5	Confident	52 Å²	52	44.8 Å²	44.8	28%	0.278	25%	0.251	S	S	.	.	S	Bend	trans	-71.8	-16.1	173.8	-85.6	0.2	0	0	0	113.7	S499 F576 K577	D473-S499 VanDerWaalsContact OD1-CB 3.31Å; D473-S499 WeakPolarHBondContact OD1-CB 3.41Å; D473-S499 PolarHBondContact OD1-N 2.92Å; D473-S499 PolarHBondContact OD1-OG 3Å; D473-S499 PolarHBondContact OD2-OG 2.96Å; D473-F576 CarbonylContact O-C 3.55Å; D473-F576 WeakPolarHBondContact O-CA 3.22Å; D473-K577 HydrophobicContact CB-CD 4.02Å; D473-K577 HydrophobicContact CB-CG 4.2Å; D473-K577 PolarHBondContact O-N 3.23Å; D473-K577 WeakPolarHBondContact OD2-CD 3.02Å; D473-K577 VanDerWaalsContact OD2-CE 3.26Å; D473-K577 WeakPolarHBondContact OD2-CE 3.21Å; D473-K577 IonicContact OD2-NZ 3.81Å; D473-K577 PolarHBondContact OD2-NZ 3.07Å
474	S	80.2	Confident	75.6	Confident	74 Å²	74	43.1 Å²	43.1	52%	0.517	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	166.3	171.3	61.8	0	0	0	0	112.9	K472 F575	K472-S474 VanDerWaalsContact C-N 3.26Å; K472-S474 PolarHBondContact O-N 2.94Å; S474-F575 VanDerWaalsContact C-CZ 3.43Å; S474-F575 CarbonylContact C-O 3.56Å; S474-F575 VanDerWaalsContact CA-O 3.27Å; S474-F575 WeakPolarHBondContact CA-O 3.49Å; S474-F575 WeakPolarHBondContact O-CZ 3.49Å
475	G	75	Confident	75.4	Confident	29 Å²	29	47.4 Å²	47.4	30%	0.299	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-168.1	173.1	0	0	0	0	0	113	N574 F575	G475-N574 WeakPolarHBondContact O-CA 3.46Å; G475-F575 VanDerWaalsContact C-CE1 3.46Å; G475-F575 VanDerWaalsContact CA-CE1 3.43Å; G475-F575 PolarHBondContact N-O 3.13Å; G475-F575 PolarHBondContact O-N 3.25Å; G475-F575 VanDerWaalsContact O-O 3.12Å
476	Q	75.5	Confident	75.5	Confident	65 Å²	65	44.6 Å²	44.6	30%	0.304	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141	176.1	177.1	160.5	98.6	0	0	109.4	Q478 Q509 A573 N574	Q476-Q478 HydrophobicContact CG-CG 4.17Å; Q476-Q509 VanDerWaalsContact NE2-CD 3.3Å; Q476-A573 CarbonylContact C-O 3.54Å; Q476-A573 WeakPolarHBondContact CA-O 3.49Å; Q476-N574 PolarHBondContact NE2-OD1 2.89Å
477	I	83.8	Confident	75.2	Confident	4 Å²	4	48 Å²	48	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.6	171.4	-62.8	167.7	0	0	0	107.5	I470 W494 I496 M558 F571 A573 F575	I470-I477 HydrophobicContact CD1-CD1 3.94Å; I470-I477 HydrophobicContact CD1-CG1 4.08Å; I477-W494 HydrophobicContact CD1-CB 4.37Å; I477-W494 HydrophobicContact CD1-CG 4.21Å; I477-W494 HydrophobicContact CG2-CD2 3.83Å; I477-W494 HydrophobicContact CG2-CE3 4.45Å; I477-W494 HydrophobicContact CG2-CG 4.19Å; I477-W494 HydrophobicContact CG2-CH2 4.29Å; I477-W494 HydrophobicContact CG2-CZ2 3.66Å; I477-I496 HydrophobicContact CD1-CD1 3.52Å; I477-I496 HydrophobicContact CD1-CG1 4.05Å; I477-M558 HydrophobicContact CB-CE 4.12Å; I477-M558 HydrophobicContact CD1-CE 3.77Å; I477-M558 HydrophobicContact CG2-CE 3.57Å; I477-F571 HydrophobicContact CG2-CE2 4.33Å; I477-A573 PolarHBondContact N-O 3.01Å; I477-A573 PolarHBondContact O-N 3.43Å; I477-A573 VanDerWaalsContact O-O 3.11Å; I477-F575 HydrophobicContact CD1-CD1 3.81Å; I477-F575 HydrophobicContact CD1-CE1 4.22Å; I477-F575 HydrophobicContact CG1-CD1 3.89Å; I477-F575 HydrophobicContact CG1-CE1 4.06Å
478	Q	82.3	Confident	75.3	Confident	42 Å²	42	50.1 Å²	50.1	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.1	177.7	-59.4	-178.6	-6.7	0	0	108.8	Q476 Y482 W494 F571 A572	Q476-Q478 HydrophobicContact CG-CG 4.17Å; Q478-Y482 HydrophobicContact CB-CD1 4.42Å; Q478-Y482 HydrophobicContact CB-CG 4.42Å; Q478-Y482 HydrophobicContact CG-CD1 4.18Å; Q478-W494 WeakPolarHBondContact O-CZ2 3.22Å; Q478-F571 CarbonylContact C-O 3.39Å; Q478-F571 VanDerWaalsContact CA-O 3.28Å; Q478-F571 WeakPolarHBondContact CA-O 3.39Å; Q478-A572 HydrophobicContact CG-CB 4.05Å
479	S	81.9	Confident	75.2	Confident	1 Å²	1	53 Å²	53	1%	0.007	29%	0.29	C	S	.	.			trans	-60.4	158.1	162.7	50.3	0	0	0	0	110.5	N481 G570 F571	S479-N481 PolarHBondContact O-N 3.45Å; S479-G570 VanDerWaalsContact OG-CA 3.32Å; S479-G570 WeakPolarHBondContact OG-CA 3.47Å; S479-F571 PolarHBondContact N-O 2.86Å; S479-F571 PolarHBondContact OG-N 2.76Å; S479-F571 PolarHBondContact OG-O 3.25Å
480	P	76	Confident	75.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	142.6	166.4	-25.3	34.2	0	0	0	111.2	V388 C466 Y482 Y486 C492	V388-P480 HydrophobicContact CG1-CB 4.26Å; V388-P480 HydrophobicContact CG1-CG 4.17Å; V388-P480 HydrophobicContact CG2-CB 3.97Å; C466-P480 HydrophobicContact CB-CG 4.25Å; P480-Y482 PolarHBondContact O-N 2.96Å; P480-Y486 WeakPolarHBondContact O-CA 3.09Å; P480-Y486 VanDerWaalsContact O-CB 3.26Å; P480-Y486 WeakPolarHBondContact O-CB 3.47Å; P480-C492 WeakPolarHBondContact CG-SG 3.26Å
481	N	65.9	Low	75.4	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.128	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	-24	175.3	-135.2	41.7	0	0	0	118.7	R197 T387 S479 D484 D485	R197-N481 PolarHBondContact NH1-O 2.83Å; R197-N481 VanDerWaalsContact NH1-O 3.11Å; T387-N481 VanDerWaalsContact CB-CA 3.43Å; T387-N481 PolarHBondContact O-N 2.94Å; T387-N481 VanDerWaalsContact O-N 3.13Å; T387-N481 WeakPolarHBondContact OG1-CA 3.34Å; T387-N481 PolarHBondContact OG1-N 2.78Å; T387-N481 PolarHBondContact OG1-OD1 2.82Å; S479-N481 PolarHBondContact O-N 3.45Å; N481-D484 CarbonylContact C-O 3.59Å; N481-D484 WeakPolarHBondContact CB-O 3.47Å; N481-D484 PolarHBondContact O-N 3.42Å; N481-D484 VanDerWaalsContact O-N 3.09Å; N481-D485 VanDerWaalsContact CB-O 3.24Å; N481-D485 WeakPolarHBondContact CB-O 3.43Å; N481-D485 PolarHBondContact ND2-O 3Å
482	Y	62.2	Low	75.4	Confident	11 Å²	11	48 Å²	48	4%	0.043	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-39.6	132.1	-179.1	-177.9	-84.3	0	0	0	113.4	A190 R197 Q478 P480 D484 A510 A569 A572	A190-Y482 HydrophobicContact CB-CE1 4.06Å; A190-Y482 VanDerWaalsContact CB-OH 3.23Å; A190-Y482 WeakPolarHBondContact CB-OH 2.85Å; R197-Y482 PolarHBondContact NH1-O 2.7Å; R197-Y482 PolarHBondContact NH2-O 3.08Å; Q478-Y482 HydrophobicContact CB-CD1 4.42Å; Q478-Y482 HydrophobicContact CB-CG 4.42Å; Q478-Y482 HydrophobicContact CG-CD1 4.18Å; P480-Y482 PolarHBondContact O-N 2.96Å; Y482-D484 PolarHBondContact N-O 2.85Å; Y482-A510 HydrophobicContact CE2-CB 3.94Å; Y482-A510 WeakPolarHBondContact OH-CB 3.3Å; Y482-A569 VanDerWaalsContact CD2-O 3.29Å; Y482-A569 WeakPolarHBondContact CD2-O 3.28Å; Y482-A572 HydrophobicContact CD1-CB 4.02Å; Y482-A572 HydrophobicContact CD2-CB 4.45Å; Y482-A572 HydrophobicContact CE1-CB 3.59Å; Y482-A572 HydrophobicContact CE2-CB 4.06Å; Y482-A572 HydrophobicContact CG-CB 4.45Å
483	P	54.9	Low	75.9	Confident	22 Å²	22	43.9 Å²	43.9	14%	0.143	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88	7.2	6.2	37	-36.4	0	0	0	114.4	A190 Q194 A569	A190-P483 HydrophobicContact CB-CB 4.41Å; Q194-P483 HydrophobicContact CB-CG 3.99Å; Q194-P483 HydrophobicContact CG-CG 4.14Å; P483-A569 WeakPolarHBondContact O-CB 3.23Å
484	D	52.6	Low	76.4	Confident	58 Å²	58	41.5 Å²	41.5	31%	0.31	23%	0.23	S	C	.	.	S	Bend	trans	-86.3	155.2	172.4	-48.7	-58.5	0	0	0	109.1	Q194 R197 N481 Y482 Y486	Q194-D484 PolarHBondContact NE2-OD1 2.79Å; R197-D484 IonicContact NH1-OD2 2.73Å; N481-D484 CarbonylContact C-O 3.59Å; N481-D484 WeakPolarHBondContact CB-O 3.47Å; N481-D484 PolarHBondContact O-N 3.42Å; N481-D484 VanDerWaalsContact O-N 3.09Å; Y482-D484 PolarHBondContact N-O 2.85Å; D484-Y486 PolarHBondContact O-N 3.13Å
485	D	62.3	Low	76.9	Confident	94 Å²	94	41.7 Å²	41.7	50%	0.503	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-55.6	132.5	-168.5	-64	-47.4	0	0	0	114.1	N481 N567 K568 A569	N481-D485 VanDerWaalsContact CB-O 3.24Å; N481-D485 WeakPolarHBondContact CB-O 3.43Å; N481-D485 PolarHBondContact ND2-O 3Å; D485-N567 HydrophobicContact CB-CB 4.3Å; D485-K568 CarbonylContact C-O 3.59Å; D485-K568 VanDerWaalsContact CA-O 3.23Å; D485-K568 WeakPolarHBondContact CA-O 3.05Å; D485-K568 WeakPolarHBondContact OD1-CA 3.49Å; D485-A569 PolarHBondContact OD1-N 2.83Å; D485-A569 VanDerWaalsContact OD1-N 3.09Å
486	Y	74.9	Confident	77.8	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.008	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-62.2	158.9	178.5	55.8	-106.5	0	0	0	112.2	P480 D484 I513 E514 D522 F560 N567 K568	P480-Y486 WeakPolarHBondContact O-CA 3.09Å; P480-Y486 VanDerWaalsContact O-CB 3.26Å; P480-Y486 WeakPolarHBondContact O-CB 3.47Å; D484-Y486 PolarHBondContact O-N 3.13Å; Y486-I513 HydrophobicContact CE1-CG1 4.47Å; Y486-E514 PolarHBondContact OH-N 2.76Å; Y486-D522 WeakPolarHBondContact CE2-OD2 3.29Å; Y486-D522 PolarHBondContact OH-OD2 2.88Å; Y486-F560 AromaticContact CD1-CZ 3.86Å; Y486-F560 HydrophobicContact CD1-CZ 3.86Å; Y486-F560 HydrophobicContact CD2-CE1 4.37Å; Y486-F560 AromaticContact CD2-CZ 3.81Å; Y486-F560 HydrophobicContact CD2-CZ 3.81Å; Y486-F560 HydrophobicContact CE1-CE2 4.46Å; Y486-F560 HydrophobicContact CE1-CZ 4.05Å; Y486-F560 AromaticContact CE2-CZ 3.98Å; Y486-F560 HydrophobicContact CE2-CZ 3.98Å; Y486-F560 HydrophobicContact CG-CE1 4.26Å; Y486-F560 AromaticContact CG-CZ 3.77Å; Y486-F560 HydrophobicContact CG-CZ 3.77Å; Y486-N567 HydrophobicContact CD2-CB 3.97Å; Y486-N567 HydrophobicContact CE2-CB 3.91Å; Y486-N567 WeakPolarHBondContact CE2-ND2 3.29Å; Y486-N567 WeakPolarHBondContact O-CB 3.5Å; Y486-N567 VanDerWaalsContact O-CG 3.24Å; Y486-K568 WeakPolarHBondContact CD1-O 3.16Å; Y486-K568 HydrophobicContact CE1-CB 3.89Å; Y486-K568 WeakPolarHBondContact CE1-O 3.42Å; Y486-K568 PolarHBondContact N-O 3.15Å
487	R	71.3	Confident	78.7	Confident	95 Å²	95	38.6 Å²	38.6	36%	0.358	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-80.2	147.1	178.6	-58.1	-53.6	-163.7	152.3	9.4	111.3	K490 S562	R487-K490 HydrophobicContact CB-CD 4.49Å; R487-K490 HydrophobicContact CB-CG 3.93Å; R487-K490 WeakPolarHBondContact O-CG 3.39Å; R487-S562 PolarHBondContact O-OG 2.92Å
488	P	80	Confident	79.1	Confident	52 Å²	52	38.8 Å²	38.8	34%	0.338	20%	0.201	S	C	.	.	S	Bend	trans	-71.5	161.9	172.5	30.9	-33.7	0	0	0	111.2	K490 D563 N567	P488-K490 PolarHBondContact O-N 2.96Å; P488-D563 CarbonylContact C-O 3.57Å; P488-D563 WeakPolarHBondContact CA-O 2.96Å; P488-D563 WeakPolarHBondContact CB-O 3.5Å; P488-N567 WeakPolarHBondContact CD-OD1 3.41Å
489	S	80.9	Confident	79.5	Confident	93 Å²	93	39.1 Å²	39.1	65%	0.65	21%	0.208	S	C	*	.	S	Bend	trans	54.2	42.5	179.4	-55.7	0	0	0	0	114	S562 D563	S489-S562 VanDerWaalsContact CA-O 3.26Å; S489-S562 WeakPolarHBondContact CA-O 3.38Å; S489-S562 PolarHBondContact N-O 3.44Å; S489-S562 PolarHBondContact N-OG 2.9Å; S489-D563 PolarHBondContact N-O 3.28Å
490	K	82.8	Confident	79.8	Confident	39 Å²	39	47 Å²	47	17%	0.17	25%	0.245	C	C	.	.			trans	-107.3	139.8	176.7	-67	-65.6	-170.9	167	0	111.3	D370 R487 P488 V561 S562	D370-K490 WeakPolarHBondContact OD2-CE 3.49Å; D370-K490 IonicContact OD2-NZ 3.64Å; D370-K490 PolarHBondContact OD2-NZ 3.25Å; R487-K490 HydrophobicContact CB-CD 4.49Å; R487-K490 HydrophobicContact CB-CG 3.93Å; R487-K490 WeakPolarHBondContact O-CG 3.39Å; P488-K490 PolarHBondContact O-N 2.96Å; K490-V561 CarbonylContact O-C 3.36Å; K490-V561 VanDerWaalsContact O-CA 3.3Å; K490-V561 WeakPolarHBondContact O-CA 3.44Å; K490-S562 WeakPolarHBondContact CB-OG 3.48Å; K490-S562 PolarHBondContact N-O 3.16Å; K490-S562 PolarHBondContact N-OG 3.38Å; K490-S562 PolarHBondContact O-N 3.19Å
491	E	89.1	Confident	80	Confident	118 Å²	118	50.6 Å²	50.6	55%	0.551	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.2	165.6	-179	174.3	162.8	0	0	108.9	C466 V493 K559 F560 V561	C466-E491 PolarHBondContact SG-O 3.36Å; E491-V493 HydrophobicContact CG-CG2 4.28Å; E491-K559 WeakPolarHBondContact OE1-CE 3.3Å; E491-K559 IonicContact OE1-NZ 3.74Å; E491-K559 PolarHBondContact OE1-NZ 2.98Å; E491-K559 IonicContact OE2-NZ 3.99Å; E491-F560 WeakPolarHBondContact CA-O 2.87Å; E491-V561 HydrophobicContact CG-CG2 4.34Å
492	C	88.4	Confident	81	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.7	-172.7	-58.8	0	0	0	0	109.8	C466 P480 W494 K559 F560	C466-C492 HydrophobicContact CB-CB 3.45Å; C466-C492 VanDerWaalsContact CB-CB 3.45Å; C466-C492 WeakPolarHBondContact CB-SG 3.3Å; C466-C492 WeakPolarHBondContact SG-CA 3.4Å; C466-C492 WeakPolarHBondContact SG-CB 3.43Å; C466-C492 CovalentContact SG-SG 2.02Å; C466-C492 PolarHBondContact SG-SG 3.16Å; P480-C492 WeakPolarHBondContact CG-SG 3.26Å; C492-W494 HydrophobicContact CB-CE3 4.39Å; C492-W494 HydrophobicContact CB-CH2 3.42Å; C492-W494 VanDerWaalsContact CB-CH2 3.42Å; C492-W494 HydrophobicContact CB-CZ2 3.99Å; C492-W494 HydrophobicContact CB-CZ3 3.65Å; C492-W494 WeakPolarHBondContact O-CZ3 3.04Å; C492-K559 CarbonylContact O-C 3.44Å; C492-K559 VanDerWaalsContact O-CA 3.26Å; C492-K559 WeakPolarHBondContact O-CA 3.44Å; C492-F560 HydrophobicContact CB-CB 4.15Å; C492-F560 HydrophobicContact CB-CD1 4.41Å; C492-F560 PolarHBondContact N-O 2.82Å; C492-F560 PolarHBondContact O-N 3.4Å
493	V	91.5	Very high	82.4	Confident	46 Å²	46	53.7 Å²	53.7	28%	0.279	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.1	-175.4	-178.1	0	0	0	0	111.1	G467 G468 E491 W557 M558 K559	G467-V493 CarbonylContact C-O 3.39Å; G467-V493 WeakPolarHBondContact CA-O 3.48Å; G468-V493 PolarHBondContact N-O 3.46Å; E491-V493 HydrophobicContact CG-CG2 4.28Å; V493-W557 HydrophobicContact CG1-CZ2 3.81Å; V493-W557 VanDerWaalsContact CG1-NE1 3.32Å; V493-M558 CarbonylContact C-O 3.49Å; V493-M558 WeakPolarHBondContact CA-O 3.26Å; V493-K559 HydrophobicContact CG2-CB 4.2Å; V493-K559 HydrophobicContact CG2-CD 4.1Å; V493-K559 HydrophobicContact CG2-CG 3.99Å
494	W	92.1	Very high	84.2	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.1	176.2	-59.8	-93.1	0	0	0	110.6	C466 G468 I477 Q478 C492 M558 F560 F571	C466-W494 HydrophobicContact CB-CZ2 4.35Å; G468-W494 WeakPolarHBondContact O-CA 3.07Å; I477-W494 HydrophobicContact CD1-CB 4.37Å; I477-W494 HydrophobicContact CD1-CG 4.21Å; I477-W494 HydrophobicContact CG2-CD2 3.83Å; I477-W494 HydrophobicContact CG2-CE3 4.45Å; I477-W494 HydrophobicContact CG2-CG 4.19Å; I477-W494 HydrophobicContact CG2-CH2 4.29Å; I477-W494 HydrophobicContact CG2-CZ2 3.66Å; Q478-W494 WeakPolarHBondContact O-CZ2 3.22Å; C492-W494 HydrophobicContact CB-CE3 4.39Å; C492-W494 HydrophobicContact CB-CH2 3.42Å; C492-W494 VanDerWaalsContact CB-CH2 3.42Å; C492-W494 HydrophobicContact CB-CZ2 3.99Å; C492-W494 HydrophobicContact CB-CZ3 3.65Å; C492-W494 WeakPolarHBondContact O-CZ3 3.04Å; W494-M558 HydrophobicContact CD2-CE 3.98Å; W494-M558 HydrophobicContact CE3-CB 4.46Å; W494-M558 HydrophobicContact CE3-CE 3.68Å; W494-M558 HydrophobicContact CE3-CG 4.24Å; W494-M558 HydrophobicContact CG-CE 4.37Å; W494-M558 HydrophobicContact CZ3-CE 4.16Å; W494-M558 PolarHBondContact N-O 3.41Å; W494-M558 PolarHBondContact O-N 3.02Å; W494-F560 HydrophobicContact CH2-CB 4.03Å; W494-F560 HydrophobicContact CZ3-CB 3.74Å; W494-F571 AromaticContact CH2-CZ 3.78Å; W494-F571 HydrophobicContact CH2-CZ 3.78Å; W494-F571 AromaticContact CZ3-CZ 3.95Å; W494-F571 HydrophobicContact CZ3-CZ 3.95Å
495	R	92.4	Very high	86	Confident	79 Å²	79	49.9 Å²	49.9	30%	0.298	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105	166.8	-163.7	-178.9	82.3	-130.2	-0.7	109.3	G468 E469 I470 P530	G468-R495 PolarHBondContact O-N 2.94Å; E469-R495 VanDerWaalsContact CD-NH1 3.27Å; E469-R495 IonicContact OE1-CZ 2.67Å; E469-R495 VanDerWaalsContact OE1-CZ 3.23Å; E469-R495 IonicContact OE1-NH1 3.96Å; E469-R495 PolarHBondContact OE1-NH1 2.85Å; E469-R495 IonicContact OE1-NH2 3.44Å; E469-R495 PolarHBondContact OE1-NH2 2.91Å; E469-R495 IonicContact OE2-CZ 3.57Å; E469-R495 IonicContact OE2-NH1 3.8Å; E469-R495 IonicContact OE2-NH2 2.68Å; E469-R495 PolarHBondContact OE2-NH2 3.02Å; I470-R495 PolarHBondContact N-O 3.38Å; R495-P530 WeakPolarHBondContact CD-O 3.42Å; R495-P530 HydrophobicContact CG-CB 4.39Å
496	I	93.7	Very high	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.2	-179.3	-47.6	-178.4	0	0	0	108.8	I477 V504 T555 L556 F575	I477-I496 HydrophobicContact CD1-CD1 3.52Å; I477-I496 HydrophobicContact CD1-CG1 4.05Å; I496-V504 HydrophobicContact CG2-CG1 4.01Å; I496-T555 WeakPolarHBondContact O-CA 3.06Å; I496-L556 HydrophobicContact CB-CB 4.5Å; I496-L556 HydrophobicContact CD1-CD2 3.78Å; I496-L556 HydrophobicContact CG1-CD2 4.45Å; I496-L556 PolarHBondContact N-O 3.08Å; I496-L556 PolarHBondContact O-N 3.04Å; I496-L556 VanDerWaalsContact O-N 3.13Å; I496-F575 HydrophobicContact CD1-CB 3.96Å; I496-F575 HydrophobicContact CD1-CD1 4.35Å; I496-F575 HydrophobicContact CD1-CG 4.04Å; I496-F575 HydrophobicContact CG2-CD2 3.58Å; I496-F575 HydrophobicContact CG2-CE2 3.95Å; I496-F575 HydrophobicContact CG2-CG 4.09Å
497	T	94	Very high	87.8	Confident	28 Å²	28	46.7 Å²	46.7	17%	0.172	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	113.2	177.2	-57.1	0	0	0	0	108.6	I470 T471 K472 H554 T555	I470-T497 PolarHBondContact O-N 2.81Å; T471-T497 WeakPolarHBondContact CA-O 3.12Å; K472-T497 PolarHBondContact N-O 2.81Å; K472-T497 VanDerWaalsContact N-O 3.16Å; T497-H554 WeakPolarHBondContact CA-O 3.41Å; T497-T555 HydrophobicContact CG2-CG2 4.11Å
498	V	92.9	Very high	88.5	Confident	8 Å²	8	42.5 Å²	42.5	5%	0.048	24%	0.243	C	C	.	.			trans	-92.9	176.9	173.3	-61.7	0	0	0	0	109.8	V504 H554 K577	V498-V504 HydrophobicContact CG1-CG2 4.11Å; V498-V504 HydrophobicContact CG2-CG2 4.02Å; V498-H554 HydrophobicContact CG2-CB 3.92Å; V498-H554 PolarHBondContact N-O 3.16Å; V498-K577 HydrophobicContact CB-CB 4.09Å; V498-K577 HydrophobicContact CG1-CB 4.17Å; V498-K577 HydrophobicContact CG2-CB 4.39Å
499	S	90.7	Very high	88.4	Confident	50 Å²	50	42.6 Å²	42.6	35%	0.35	24%	0.239	S	C	.	.			trans	-49.5	141.6	171.9	-66.8	0	0	0	0	113.2	D473 Y502	D473-S499 VanDerWaalsContact OD1-CB 3.31Å; D473-S499 WeakPolarHBondContact OD1-CB 3.41Å; D473-S499 PolarHBondContact OD1-N 2.92Å; D473-S499 PolarHBondContact OD1-OG 3Å; D473-S499 PolarHBondContact OD2-OG 2.96Å; S499-Y502 WeakPolarHBondContact O-CD2 3.37Å; S499-Y502 PolarHBondContact O-N 2.99Å
500	E	86.3	Confident	88	Confident	166 Å²	166	39 Å²	39	78%	0.776	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	139.3	175.2	-66.2	-173.9	167.7	0	0	111.3	Y502	E500-Y502 WeakPolarHBondContact O-CD2 3.4Å
501	G	82.1	Confident	88.2	Confident	77 Å²	77	37.6 Å²	37.6	79%	0.794	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	-5.9	-178.9	0	0	0	0	0	115.5
502	Y	86.8	Confident	87.9	Confident	65 Å²	65	36.1 Å²	36.1	26%	0.255	20%	0.202	S	C	.	.			trans	-106.6	169.1	174.9	-60.7	-99.1	0	0	0	111.1	S499 E500 H554 K577 E579	S499-Y502 WeakPolarHBondContact O-CD2 3.37Å; S499-Y502 PolarHBondContact O-N 2.99Å; E500-Y502 WeakPolarHBondContact O-CD2 3.4Å; Y502-H554 WeakPolarHBondContact O-CA 3.1Å; Y502-H554 VanDerWaalsContact O-CB 3.22Å; Y502-H554 WeakPolarHBondContact O-CB 3.11Å; Y502-H554 PolarHBondContact O-N 3.49Å; Y502-K577 HydrophobicContact CD1-CB 4.32Å; Y502-K577 HydrophobicContact CD1-CD 3.92Å; Y502-K577 HydrophobicContact CD1-CG 4.47Å; Y502-K577 HydrophobicContact CE1-CD 4.07Å; Y502-K577 HydrophobicContact CG-CB 4.33Å; Y502-K577 HydrophobicContact CG-CD 4.23Å; Y502-E579 HydrophobicContact CD1-CB 3.92Å; Y502-E579 HydrophobicContact CD1-CG 4.01Å; Y502-E579 HydrophobicContact CE1-CB 4.02Å; Y502-E579 HydrophobicContact CE1-CG 3.81Å
503	N	90.9	Very high	88	Confident	35 Å²	35	36.1 Å²	36.1	19%	0.187	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	168.2	172.3	-64.7	44	0	0	0	109.7	R550 S551 K577 E578	N503-R550 HydrophobicContact CB-CG 4.5Å; N503-S551 PolarHBondContact ND2-O 2.83Å; N503-K577 CarbonylContact O-C 3.56Å; N503-K577 WeakPolarHBondContact O-CA 3.46Å; N503-E578 HydrophobicContact CB-CB 3.98Å; N503-E578 HydrophobicContact CB-CG 4.26Å; N503-E578 PolarHBondContact N-O 2.72Å; N503-E578 PolarHBondContact O-N 3.38Å
504	V	92.6	Very high	88	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.9	171.7	-171	0	0	0	0	108.4	I496 V498 S551 L556 F575	I496-V504 HydrophobicContact CG2-CG1 4.01Å; V498-V504 HydrophobicContact CG1-CG2 4.11Å; V498-V504 HydrophobicContact CG2-CG2 4.02Å; V504-S551 WeakPolarHBondContact CA-OG 3.34Å; V504-S551 WeakPolarHBondContact CB-OG 3.2Å; V504-S551 PolarHBondContact N-OG 3.14Å; V504-S551 PolarHBondContact O-N 3.36Å; V504-S551 PolarHBondContact O-OG 2.82Å; V504-L556 HydrophobicContact CB-CB 3.91Å; V504-L556 HydrophobicContact CG1-CB 4.01Å; V504-L556 HydrophobicContact CG2-CB 3.97Å; V504-F575 HydrophobicContact CG1-CB 4.45Å
505	G	90.8	Very high	87.7	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.2	162.3	0	0	0	0	0	110.2	V549 F575 F576	G505-V549 CarbonylContact C-O 3.55Å; G505-V549 WeakPolarHBondContact CA-O 3.2Å; G505-F575 CarbonylContact O-C 3.59Å; G505-F575 VanDerWaalsContact O-CA 3.24Å; G505-F575 WeakPolarHBondContact O-CA 3.35Å; G505-F576 PolarHBondContact N-O 3.37Å; G505-F576 PolarHBondContact O-N 3.2Å
506	L	90.3	Very high	87.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	119.9	178.3	178.6	75.5	0	0	0	109.1	F508 V526 D548 V549 L556 M558 A573 N574 F575	L506-F508 HydrophobicContact CD2-CE2 4.31Å; L506-F508 HydrophobicContact CD2-CZ 4.06Å; L506-V526 HydrophobicContact CD2-CG1 4.18Å; L506-V526 HydrophobicContact CD2-CG2 4.36Å; L506-D548 CarbonylContact O-C 3.44Å; L506-D548 WeakPolarHBondContact O-CA 3.41Å; L506-V549 HydrophobicContact CB-CB 4.23Å; L506-V549 HydrophobicContact CD2-CB 4.49Å; L506-V549 PolarHBondContact N-O 2.94Å; L506-V549 PolarHBondContact O-N 2.91Å; L506-L556 HydrophobicContact CD2-CD2 4.26Å; L506-M558 HydrophobicContact CD2-SD 4.05Å; L506-A573 HydrophobicContact CD1-CB 3.84Å; L506-A573 HydrophobicContact CG-CB 4.49Å; L506-N574 CarbonylContact C-O 3.58Å; L506-N574 WeakPolarHBondContact CA-O 3.26Å; L506-F575 HydrophobicContact CD1-CB 4.17Å
507	S	85	Confident	87	Confident	29 Å²	29	49.4 Å²	49.4	20%	0.203	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.9	-178.8	176.3	0	0	0	0	112.1	D548 A573 N574	S507-D548 WeakPolarHBondContact CA-OD1 3.48Å; S507-D548 VanDerWaalsContact CB-OD1 3.24Å; S507-D548 WeakPolarHBondContact CB-OD1 3.41Å; S507-D548 PolarHBondContact OG-OD1 3.11Å; S507-D548 PolarHBondContact OG-OD2 2.91Å; S507-A573 CarbonylContact O-C 3.5Å; S507-A573 VanDerWaalsContact O-CA 3.3Å; S507-A573 WeakPolarHBondContact O-CA 3.5Å; S507-N574 PolarHBondContact N-O 3.28Å; S507-N574 PolarHBondContact O-N 3.09Å
508	F	84.8	Confident	86.7	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.9	-178.6	-66.3	-83.6	0	0	0	111.8	L506 F511 L524 K545 P546 D548 F571 A573	L506-F508 HydrophobicContact CD2-CE2 4.31Å; L506-F508 HydrophobicContact CD2-CZ 4.06Å; F508-F511 AromaticContact CD1-CD2 3.93Å; F508-F511 HydrophobicContact CD1-CD2 3.93Å; F508-F511 HydrophobicContact CE1-CD2 4.06Å; F508-F511 HydrophobicContact CE1-CE2 4.31Å; F508-L524 HydrophobicContact CE1-CD2 3.44Å; F508-L524 VanDerWaalsContact CE1-CD2 3.44Å; F508-L524 HydrophobicContact CZ-CD2 3.62Å; F508-K545 HydrophobicContact CB-CD 4.02Å; F508-K545 HydrophobicContact CB-CG 3.77Å; F508-K545 WeakPolarHBondContact O-CD 3.25Å; F508-K545 WeakPolarHBondContact O-CE 3.26Å; F508-K545 PolarHBondContact O-NZ 3.16Å; F508-P546 HydrophobicContact CD2-CB 3.79Å; F508-P546 HydrophobicContact CD2-CG 4.14Å; F508-P546 HydrophobicContact CE2-CB 3.8Å; F508-P546 HydrophobicContact CE2-CG 4.13Å; F508-P546 HydrophobicContact CG-CG 4.49Å; F508-P546 HydrophobicContact CZ-CG 4.48Å; F508-D548 PolarHBondContact N-OD1 2.91Å; F508-F571 HydrophobicContact CE1-CD2 4.25Å; F508-A573 HydrophobicContact CD1-CB 3.76Å; F508-A573 HydrophobicContact CE1-CB 3.86Å; F508-A573 HydrophobicContact CG-CB 4.43Å
509	Q	77.8	Confident	86.6	Confident	54 Å²	54	52.1 Å²	52.1	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-33.1	173.8	-64	-167.7	-13.8	0	0	112.7	Q476 A572 N574	Q476-Q509 VanDerWaalsContact NE2-CD 3.3Å; Q509-A572 HydrophobicContact CB-CB 4.37Å; Q509-A572 PolarHBondContact N-O 2.65Å; Q509-N574 VanDerWaalsContact NE2-CG 3.31Å; Q509-N574 PolarHBondContact NE2-ND2 3.02Å; Q509-N574 PolarHBondContact NE2-OD1 3.11Å
510	A	74	Confident	86.5	Confident	19 Å²	19	52.2 Å²	52.2	16%	0.157	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.2	175.6	0	0	0	0	0	108.8	Y482 F571 A572	Y482-A510 HydrophobicContact CE2-CB 3.94Å; Y482-A510 WeakPolarHBondContact OH-CB 3.3Å; A510-F571 VanDerWaalsContact O-CA 3.32Å; A510-F571 WeakPolarHBondContact O-CA 3.38Å; A510-A572 PolarHBondContact N-O 2.88Å; A510-A572 PolarHBondContact O-N 3.08Å; A510-A572 VanDerWaalsContact O-N 3.08Å
511	F	87	Confident	86.7	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	106.8	-177.2	-167.9	-88.8	0	0	0	110.8	F508 I513 L524 F540 G542 P546 G570 F571	F508-F511 AromaticContact CD1-CD2 3.93Å; F508-F511 HydrophobicContact CD1-CD2 3.93Å; F508-F511 HydrophobicContact CE1-CD2 4.06Å; F508-F511 HydrophobicContact CE1-CE2 4.31Å; F511-I513 HydrophobicContact CD2-CD1 4.49Å; F511-I513 HydrophobicContact CE1-CB 4.36Å; F511-I513 HydrophobicContact CE1-CD1 4.17Å; F511-I513 HydrophobicContact CE1-CG1 4.23Å; F511-I513 HydrophobicContact CE2-CD1 3.65Å; F511-I513 HydrophobicContact CE2-CG1 4.32Å; F511-I513 HydrophobicContact CZ-CB 4.44Å; F511-I513 HydrophobicContact CZ-CD1 3.45Å; F511-I513 VanDerWaalsContact CZ-CD1 3.45Å; F511-I513 HydrophobicContact CZ-CG1 4Å; F511-L524 HydrophobicContact CE2-CB 4.08Å; F511-L524 HydrophobicContact CE2-CD2 3.93Å; F511-L524 HydrophobicContact CZ-CB 4.37Å; F511-F540 HydrophobicContact CE1-CB 4.18Å; F511-F540 HydrophobicContact CE2-CB 4.12Å; F511-F540 HydrophobicContact CZ-CB 3.47Å; F511-F540 VanDerWaalsContact CZ-CB 3.47Å; F511-G542 WeakPolarHBondContact CD1-O 3.27Å; F511-P546 HydrophobicContact CD1-CG 4.22Å; F511-P546 HydrophobicContact CD2-CG 3.9Å; F511-P546 HydrophobicContact CE1-CG 4.21Å; F511-P546 HydrophobicContact CE2-CG 3.89Å; F511-P546 VanDerWaalsContact CG-CD 3.44Å; F511-P546 HydrophobicContact CG-CG 4.07Å; F511-P546 HydrophobicContact CZ-CG 4.05Å; F511-G570 CarbonylContact C-O 3.56Å; F511-F571 HydrophobicContact CD2-CB 3.69Å; F511-F571 HydrophobicContact CD2-CG 4.48Å; F511-F571 HydrophobicContact CE2-CB 4.28Å; F511-F571 HydrophobicContact CG-CB 4.46Å
512	E	82.1	Confident	87.3	Confident	88 Å²	88	45.8 Å²	45.8	41%	0.411	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	94.1	177.7	-62.6	-175.9	-138.4	0	0	108.5	Y543 K568 A569 G570	E512-Y543 HydrophobicContact CB-CD1 4.15Å; E512-Y543 HydrophobicContact CG-CD1 4.09Å; E512-K568 HydrophobicContact CB-CB 4.36Å; E512-K568 WeakPolarHBondContact O-CB 3.46Å; E512-A569 HydrophobicContact CB-CB 4.4Å; E512-G570 PolarHBondContact N-O 2.98Å; E512-G570 WeakPolarHBondContact O-CA 3.42Å; E512-G570 PolarHBondContact O-N 2.86Å
513	I	89.7	Confident	87.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.			trans	-115.6	158.5	175.6	-62.3	-176.8	0	0	0	107.6	Y486 F511 R515 D522 L524 C541 G542 F560 F571	Y486-I513 HydrophobicContact CE1-CG1 4.47Å; F511-I513 HydrophobicContact CD2-CD1 4.49Å; F511-I513 HydrophobicContact CE1-CB 4.36Å; F511-I513 HydrophobicContact CE1-CD1 4.17Å; F511-I513 HydrophobicContact CE1-CG1 4.23Å; F511-I513 HydrophobicContact CE2-CD1 3.65Å; F511-I513 HydrophobicContact CE2-CG1 4.32Å; F511-I513 HydrophobicContact CZ-CB 4.44Å; F511-I513 HydrophobicContact CZ-CD1 3.45Å; F511-I513 VanDerWaalsContact CZ-CD1 3.45Å; F511-I513 HydrophobicContact CZ-CG1 4Å; I513-R515 PolarHBondContact O-N 3.43Å; I513-D522 HydrophobicContact CG2-CB 3.46Å; I513-D522 VanDerWaalsContact CG2-CB 3.46Å; I513-L524 HydrophobicContact CD1-CB 3.93Å; I513-C541 HydrophobicContact CG2-CB 4.2Å; I513-G542 PolarHBondContact N-O 2.91Å; I513-G542 CarbonylContact O-C 3.59Å; I513-G542 WeakPolarHBondContact O-CA 3.47Å; I513-G542 PolarHBondContact O-N 3Å; I513-G542 VanDerWaalsContact O-N 3.11Å; I513-F560 HydrophobicContact CD1-CD2 4.02Å; I513-F560 HydrophobicContact CD1-CE2 3.86Å; I513-F560 HydrophobicContact CG1-CE2 4.29Å; I513-F560 HydrophobicContact CG2-CE2 4.44Å; I513-F571 HydrophobicContact CD1-CD1 4.11Å
514	E	91.4	Very high	88	Confident	26 Å²	26	42.6 Å²	42.6	12%	0.121	22%	0.217	C	C	.	.			trans	-50.5	138.9	173.3	-162.4	-166.3	-168.4	0	0	111.2	Y486 Y521 D522 C541 G542 V566	Y486-E514 PolarHBondContact OH-N 2.76Å; E514-Y521 WeakPolarHBondContact OE2-CB 3.34Å; E514-Y521 VanDerWaalsContact OE2-CD2 3.27Å; E514-Y521 WeakPolarHBondContact OE2-CD2 3.32Å; E514-D522 HydrophobicContact CB-CB 3.9Å; E514-C541 WeakPolarHBondContact O-CB 3.09Å; E514-G542 PolarHBondContact O-N 2.78Å; E514-V566 HydrophobicContact CG-CB 3.98Å; E514-V566 HydrophobicContact CG-CG1 3.85Å; E514-V566 WeakPolarHBondContact OE1-CB 3.16Å; E514-V566 WeakPolarHBondContact OE1-CG2 3.36Å
515	R	86.8	Confident	88.2	Confident	164 Å²	164	43.3 Å²	43.3	62%	0.619	22%	0.22	S	C	*	.			trans	-94.2	120.8	-177.4	-172.4	-178.9	173.5	-168	-3	110.9	I513 Y543	I513-R515 PolarHBondContact O-N 3.43Å; R515-Y543 HydrophobicContact CB-CE2 4.33Å
516	H	89.9	Confident	88.5	Confident	55 Å²	55	43.3 Å²	43.3	26%	0.255	22%	0.22	S	C	.	.			trans	-138.5	141.2	168.6	-175.1	-92.4	0	0	0	109.9	S518 C519 A520 Y521 C541	H516-S518 PolarHBondContact CE1-OG 3.42Å; H516-S518 PolarHBondContact ND1-N 3.19Å; H516-S518 PolarHBondContact ND1-OG 3.46Å; H516-S518 VanDerWaalsContact ND1-OG 3.1Å; H516-S518 PolarHBondContact O-N 2.76Å; H516-C519 PolarHBondContact O-N 3.08Å; H516-A520 WeakPolarHBondContact ND1-CB 3.18Å; H516-A520 PolarHBondContact ND1-N 2.86Å; H516-Y521 HydrophobicContact CB-CD2 4.06Å; H516-Y521 HydrophobicContact CB-CE2 4.4Å; H516-Y521 AromaticContact CD2-CD2 3.88Å; H516-Y521 AromaticContact CD2-CE2 3.39Å; H516-Y521 WeakPolarHBondContact CD2-CE2 3.22Å; H516-Y521 AromaticContact CD2-CZ 3.72Å; H516-C541 PolarHBondContact O-SG 2.98Å
517	D	81.9	Confident	88.8	Confident	159 Å²	159	45.5 Å²	45.5	85%	0.85	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.6	-172.7	-64.8	-29.7	0	0	0	114.6
518	S	86.4	Confident	89.3	Confident	78 Å²	78	45.2 Å²	45.2	55%	0.545	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	14.2	172.5	65.1	0	0	0	0	114.2	H516 A520	H516-S518 PolarHBondContact CE1-OG 3.42Å; H516-S518 PolarHBondContact ND1-N 3.19Å; H516-S518 PolarHBondContact ND1-OG 3.46Å; H516-S518 VanDerWaalsContact ND1-OG 3.1Å; H516-S518 PolarHBondContact O-N 2.76Å; S518-A520 VanDerWaalsContact C-N 3.29Å; S518-A520 PolarHBondContact O-N 2.7Å
519	C	90.8	Very high	89.7	Confident	16 Å²	16	45.1 Å²	45.1	11%	0.108	23%	0.226	C	C	.	.			trans	49.8	45.2	-177.2	-57.6	0	0	0	0	113.4	H516 R539 C541	H516-C519 PolarHBondContact O-N 3.08Å; C519-R539 HydrophobicContact CB-CG 4.08Å; C519-R539 VanDerWaalsContact O-CZ 3.25Å; C519-R539 PolarHBondContact O-NE 3.47Å; C519-R539 PolarHBondContact O-NH2 2.93Å; C519-C541 WeakPolarHBondContact CA-SG 3.29Å; C519-C541 HydrophobicContact CB-CB 3.55Å; C519-C541 WeakPolarHBondContact CB-SG 3.41Å; C519-C541 WeakPolarHBondContact SG-CB 3.26Å; C519-C541 PolarHBondContact SG-N 2.93Å; C519-C541 VanDerWaalsContact SG-N 3.4Å; C519-C541 CovalentContact SG-SG 2.03Å; C519-C541 PolarHBondContact SG-SG 2.87Å
520	A	89	Confident	90.4	Very high	51 Å²	51	45.2 Å²	45.2	42%	0.421	23%	0.231	S	C	.	.			trans	-82.5	-29.3	-169.2	0	0	0	0	0	113.9	H516 S518	H516-A520 WeakPolarHBondContact ND1-CB 3.18Å; H516-A520 PolarHBondContact ND1-N 2.86Å; S518-A520 VanDerWaalsContact C-N 3.29Å; S518-A520 PolarHBondContact O-N 2.7Å
521	Y	90.5	Very high	91.2	Very high	108 Å²	108	49 Å²	49	42%	0.424	25%	0.248	S	C	.	.	S	Bend	trans	-84.3	-106.7	175.5	-49.3	-39.5	0	0	0	109.1	E514 H516 Y523	E514-Y521 WeakPolarHBondContact OE2-CB 3.34Å; E514-Y521 VanDerWaalsContact OE2-CD2 3.27Å; E514-Y521 WeakPolarHBondContact OE2-CD2 3.32Å; H516-Y521 HydrophobicContact CB-CD2 4.06Å; H516-Y521 HydrophobicContact CB-CE2 4.4Å; H516-Y521 AromaticContact CD2-CD2 3.88Å; H516-Y521 AromaticContact CD2-CE2 3.39Å; H516-Y521 WeakPolarHBondContact CD2-CE2 3.22Å; H516-Y521 AromaticContact CD2-CZ 3.72Å; Y521-Y523 WeakPolarHBondContact O-CD1 3.13Å
522	D	95.4	Very high	91.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	-77.3	142.3	174.9	-58.1	-14.6	0	0	0	112.4	Y486 I513 E514 C541 V561 S562 D563	Y486-D522 WeakPolarHBondContact CE2-OD2 3.29Å; Y486-D522 PolarHBondContact OH-OD2 2.88Å; I513-D522 HydrophobicContact CG2-CB 3.46Å; I513-D522 VanDerWaalsContact CG2-CB 3.46Å; E514-D522 HydrophobicContact CB-CB 3.9Å; D522-C541 WeakPolarHBondContact O-CB 3.32Å; D522-V561 WeakPolarHBondContact CA-O 3.08Å; D522-S562 WeakPolarHBondContact OD1-CA 3.4Å; D522-D563 PolarHBondContact OD1-N 3.1Å
523	Y	96.4	Very high	91.9	Very high	32 Å²	32	55.2 Å²	55.2	13%	0.125	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	156.2	177.5	63.9	-81.7	0	0	0	114.5	Y521 E525 R539 F540 F560 V561	Y521-Y523 WeakPolarHBondContact O-CD1 3.13Å; Y523-E525 HydrophobicContact CD2-CB 3.96Å; Y523-E525 HydrophobicContact CE2-CB 3.93Å; Y523-R539 HydrophobicContact CD2-CG 3.76Å; Y523-R539 HydrophobicContact CG-CG 4.1Å; Y523-F540 WeakPolarHBondContact CA-O 3.23Å; Y523-F560 WeakPolarHBondContact O-CA 3.23Å; Y523-F560 VanDerWaalsContact O-CD2 3.29Å; Y523-F560 WeakPolarHBondContact O-CD2 3.26Å; Y523-V561 HydrophobicContact CD1-CB 4.05Å; Y523-V561 HydrophobicContact CE1-CB 3.6Å; Y523-V561 HydrophobicContact CE1-CG1 4.02Å; Y523-V561 HydrophobicContact CE1-CG2 3.93Å; Y523-V561 HydrophobicContact CE2-CB 4.49Å; Y523-V561 HydrophobicContact CE2-CG2 4.16Å; Y523-V561 PolarHBondContact N-O 2.03Å; Y523-V561 PolarHBondContact O-N 2.83Å
524	L	96.4	Very high	92.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.8	161.9	-175.4	66.8	0	0	0	110	F508 F511 I513 V526 R539 F540 M558 F560 F571	F508-L524 HydrophobicContact CE1-CD2 3.44Å; F508-L524 VanDerWaalsContact CE1-CD2 3.44Å; F508-L524 HydrophobicContact CZ-CD2 3.62Å; F511-L524 HydrophobicContact CE2-CB 4.08Å; F511-L524 HydrophobicContact CE2-CD2 3.93Å; F511-L524 HydrophobicContact CZ-CB 4.37Å; I513-L524 HydrophobicContact CD1-CB 3.93Å; L524-V526 HydrophobicContact CG-CG2 4.37Å; L524-R539 CarbonylContact O-C 3.57Å; L524-R539 WeakPolarHBondContact O-CA 3.45Å; L524-F540 PolarHBondContact N-O 2.68Å; L524-F540 PolarHBondContact O-N 2.81Å; L524-M558 HydrophobicContact CD1-CG 3.61Å; L524-M558 HydrophobicContact CD1-SD 3.94Å; L524-M558 HydrophobicContact CD2-SD 4.14Å; L524-M558 HydrophobicContact CG-CG 4.29Å; L524-M558 HydrophobicContact CG-SD 4.39Å; L524-F560 HydrophobicContact CD1-CB 3.89Å; L524-F571 HydrophobicContact CD1-CE1 3.76Å; L524-F571 HydrophobicContact CD1-CE2 4.21Å; L524-F571 HydrophobicContact CD1-CZ 3.57Å; L524-F571 HydrophobicContact CD2-CD1 4.34Å; L524-F571 HydrophobicContact CD2-CD2 4.13Å; L524-F571 HydrophobicContact CD2-CE1 4.28Å; L524-F571 HydrophobicContact CD2-CE2 4.06Å; L524-F571 HydrophobicContact CD2-CG 4.28Å; L524-F571 HydrophobicContact CD2-CZ 4.14Å; L524-F571 HydrophobicContact CG-CE1 4.48Å; L524-F571 HydrophobicContact CG-CZ 4.47Å
525	E	96.1	Very high	92.3	Very high	15 Å²	15	59 Å²	59	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.8	177.2	-165.8	175.5	108.6	0	0	110.3	Y523 R527 L536 R539 M558 K559	Y523-E525 HydrophobicContact CD2-CB 3.96Å; Y523-E525 HydrophobicContact CE2-CB 3.93Å; E525-R527 IonicContact OE1-CZ 2.9Å; E525-R527 IonicContact OE1-NE 3Å; E525-R527 PolarHBondContact OE1-NE 2.76Å; E525-R527 IonicContact OE1-NH2 2.79Å; E525-R527 PolarHBondContact OE1-NH2 3.44Å; E525-R527 IonicContact OE2-NH2 2.74Å; E525-L536 HydrophobicContact CG-CD1 3.49Å; E525-L536 VanDerWaalsContact CG-CD1 3.49Å; E525-R539 IonicContact OE2-NH1 3.81Å; E525-M558 CarbonylContact O-C 3.59Å; E525-M558 VanDerWaalsContact O-CA 3.32Å; E525-M558 WeakPolarHBondContact O-CA 3.3Å; E525-K559 HydrophobicContact CB-CB 4.45Å; E525-K559 PolarHBondContact N-O 3.5Å; E525-K559 PolarHBondContact O-N 3.21Å
526	V	97.1	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.2	-178.3	-169.2	0	0	0	0	110.2	L506 L524 I537 G538 F540 V549 L556 M558	L506-V526 HydrophobicContact CD2-CG1 4.18Å; L506-V526 HydrophobicContact CD2-CG2 4.36Å; L524-V526 HydrophobicContact CG-CG2 4.37Å; V526-I537 HydrophobicContact CG1-CD1 4.27Å; V526-I537 WeakPolarHBondContact O-CB 3.32Å; V526-I537 PolarHBondContact O-N 2.02Å; V526-G538 PolarHBondContact N-O 3.39Å; V526-G538 PolarHBondContact O-N 3.32Å; V526-F540 HydrophobicContact CB-CE2 4.3Å; V526-F540 HydrophobicContact CG2-CD2 4.21Å; V526-F540 HydrophobicContact CG2-CE2 3.85Å; V526-V549 HydrophobicContact CG1-CG1 4.29Å; V526-L556 HydrophobicContact CG1-CD1 3.87Å; V526-L556 HydrophobicContact CG1-CD2 4.01Å; V526-L556 HydrophobicContact CG1-CG 4.11Å; V526-M558 HydrophobicContact CG2-CG 4.17Å; V526-M558 HydrophobicContact CG2-SD 4.34Å
527	R	96.8	Very high	92.9	Very high	46 Å²	46	56 Å²	56	17%	0.174	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.8	-175	-60.6	-174.2	175.2	-99.2	-0.8	112.7	E525 G529 E532 S534 P535 L536 W557	E525-R527 IonicContact OE1-CZ 2.9Å; E525-R527 IonicContact OE1-NE 3Å; E525-R527 PolarHBondContact OE1-NE 2.76Å; E525-R527 IonicContact OE1-NH2 2.79Å; E525-R527 PolarHBondContact OE1-NH2 3.44Å; E525-R527 IonicContact OE2-NH2 2.74Å; R527-G529 PolarHBondContact O-N 3.33Å; R527-E532 VanDerWaalsContact CD-O 3.25Å; R527-E532 WeakPolarHBondContact CD-O 3.3Å; R527-E532 PolarHBondContact NE-O 2.86Å; R527-E532 VanDerWaalsContact NE-O 3.09Å; R527-E532 PolarHBondContact NH1-O 3.41Å; R527-S534 PolarHBondContact NH1-O 3.22Å; R527-P535 CarbonylContact C-O 3.53Å; R527-P535 VanDerWaalsContact CA-O 3.23Å; R527-P535 WeakPolarHBondContact CA-O 3.11Å; R527-P535 WeakPolarHBondContact CB-O 3.46Å; R527-L536 HydrophobicContact CG-CD1 4.24Å; R527-W557 HydrophobicContact CB-CB 4.39Å; R527-W557 HydrophobicContact CB-CE3 3.91Å; R527-W557 HydrophobicContact CG-CE3 3.69Å; R527-W557 HydrophobicContact CG-CZ3 3.92Å; R527-W557 PolarHBondContact N-O 2.73Å; R527-W557 PolarHBondContact O-N 2.86Å
528	D	95.2	Very high	93.4	Very high	24 Å²	24	49 Å²	49	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	106.3	-177.6	-171	13.7	0	0	0	111.5	S534 P535 I537 S551 T552	D528-S534 WeakPolarHBondContact O-CB 3.24Å; D528-S534 PolarHBondContact O-OG 3.07Å; D528-P535 HydrophobicContact CB-CB 4.49Å; D528-P535 PolarHBondContact N-O 3.4Å; D528-I537 HydrophobicContact CB-CD1 3.97Å; D528-I537 HydrophobicContact CB-CG1 4.01Å; D528-S551 WeakPolarHBondContact OD1-CA 3.19Å; D528-S551 VanDerWaalsContact OD1-CB 3.25Å; D528-S551 WeakPolarHBondContact OD1-CB 3.37Å; D528-T552 VanDerWaalsContact CG-N 3.32Å; D528-T552 PolarHBondContact OD1-N 3Å; D528-T552 PolarHBondContact OD1-OG1 3.43Å; D528-T552 VanDerWaalsContact OD2-CB 3.26Å; D528-T552 WeakPolarHBondContact OD2-CB 3.32Å; D528-T552 WeakPolarHBondContact OD2-CG2 3.48Å; D528-T552 PolarHBondContact OD2-N 2.7Å; D528-T552 VanDerWaalsContact OD2-N 3.15Å; D528-T552 PolarHBondContact OD2-OG1 3.39Å
529	G	92.8	Very high	93.8	Very high	4 Å²	4	49.5 Å²	49.5	4%	0.041	27%	0.265	C	S	.	.	S	Bend	trans	113.4	-164.8	-174.9	0	0	0	0	0	114	R527 S534 T555 L556 W557	R527-G529 PolarHBondContact O-N 3.33Å; G529-S534 WeakPolarHBondContact CA-OG 3.38Å; G529-T555 WeakPolarHBondContact CA-O 3.34Å; G529-T555 WeakPolarHBondContact CA-OG1 3.45Å; G529-T555 PolarHBondContact N-O 2.82Å; G529-T555 VanDerWaalsContact N-O 3.17Å; G529-L556 CarbonylContact O-C 3.55Å; G529-L556 VanDerWaalsContact O-C 3.23Å; G529-L556 WeakPolarHBondContact O-CA 3.15Å; G529-W557 VanDerWaalsContact O-CB 3.29Å; G529-W557 WeakPolarHBondContact O-CB 3.47Å; G529-W557 PolarHBondContact O-N 3.43Å
530	P	92.1	Very high	94.1	Very high	55 Å²	55	50.9 Å²	50.9	36%	0.357	27%	0.27	S	S	.	.	S	Bend	trans	-98.6	0.3	-164.2	33.2	-30.5	0	0	0	116.4	R495 T555	R495-P530 WeakPolarHBondContact CD-O 3.42Å; R495-P530 HydrophobicContact CG-CB 4.39Å; P530-T555 HydrophobicContact CB-CG2 4.46Å; P530-T555 WeakPolarHBondContact CD-OG1 3.5Å
531	L	92.2	Very high	94.3	Very high	100 Å²	100	49.4 Å²	49.4	52%	0.524	26%	0.256	S	S	.	.	S	Bend	trans	-129.3	157.2	-168.6	-61.7	176.1	0	0	0	113.4	T533 S534	L531-T533 PolarHBondContact O-N 3.09Å; L531-S534 WeakPolarHBondContact O-CB 3.42Å; L531-S534 PolarHBondContact O-N 2.89Å
532	E	90.9	Very high	94.2	Very high	102 Å²	102	44.3 Å²	44.3	48%	0.477	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.5	169.6	-172.8	162.3	-130	0	0	112.7	R527 W557 K559	R527-E532 VanDerWaalsContact CD-O 3.25Å; R527-E532 WeakPolarHBondContact CD-O 3.3Å; R527-E532 PolarHBondContact NE-O 2.86Å; R527-E532 VanDerWaalsContact NE-O 3.09Å; R527-E532 PolarHBondContact NH1-O 3.41Å; E532-W557 HydrophobicContact CB-CH2 3.83Å; E532-W557 HydrophobicContact CB-CZ2 3.45Å; E532-W557 VanDerWaalsContact CB-CZ2 3.45Å; E532-W557 HydrophobicContact CG-CH2 3.57Å; E532-W557 HydrophobicContact CG-CZ2 3.65Å; E532-K559 IonicContact OE1-NZ 3.51Å; E532-K559 PolarHBondContact OE1-NZ 2.64Å
533	T	92.1	Very high	93.4	Very high	124 Å²	124	49.8 Å²	49.8	76%	0.761	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	0.9	174	53.7	0	0	0	0	114.3	L531	L531-T533 PolarHBondContact O-N 3.09Å
534	S	94.9	Very high	92.6	Very high	15 Å²	15	54.3 Å²	54.3	11%	0.105	28%	0.284	C	S	.	.	S	Bend	trans	-62.4	156.7	173.9	-94.3	0	0	0	0	112.2	R527 D528 G529 L531 L536	R527-S534 PolarHBondContact NH1-O 3.22Å; D528-S534 WeakPolarHBondContact O-CB 3.24Å; D528-S534 PolarHBondContact O-OG 3.07Å; G529-S534 WeakPolarHBondContact CA-OG 3.38Å; L531-S534 WeakPolarHBondContact O-CB 3.42Å; L531-S534 PolarHBondContact O-N 2.89Å; S534-L536 PolarHBondContact O-N 2.86Å
535	P	95.7	Very high	91.9	Very high	89 Å²	89	59 Å²	59	58%	0.578	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-48	131.4	170.3	-27.9	35.3	0	0	0	112.2	R527 D528	R527-P535 CarbonylContact C-O 3.53Å; R527-P535 VanDerWaalsContact CA-O 3.23Å; R527-P535 WeakPolarHBondContact CA-O 3.11Å; R527-P535 WeakPolarHBondContact CB-O 3.46Å; D528-P535 HydrophobicContact CB-CB 4.49Å; D528-P535 PolarHBondContact N-O 3.4Å
536	L	94.7	Very high	91.5	Very high	91 Å²	91	58.8 Å²	58.8	48%	0.476	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.7	176.7	-178.2	67.1	0	0	0	109.5	E525 R527 S534 G538	E525-L536 HydrophobicContact CG-CD1 3.49Å; E525-L536 VanDerWaalsContact CG-CD1 3.49Å; R527-L536 HydrophobicContact CG-CD1 4.24Å; S534-L536 PolarHBondContact O-N 2.86Å; L536-G538 WeakPolarHBondContact CD1-O 3.3Å
537	I	94.4	Very high	91	Very high	65 Å²	65	67.2 Å²	67.2	33%	0.333	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-46.2	170	-55.5	-178.2	0	0	0	109	V526 D528 V549 L556	V526-I537 HydrophobicContact CG1-CD1 4.27Å; V526-I537 WeakPolarHBondContact O-CB 3.32Å; V526-I537 PolarHBondContact O-N 2.02Å; D528-I537 HydrophobicContact CB-CD1 3.97Å; D528-I537 HydrophobicContact CB-CG1 4.01Å; I537-V549 HydrophobicContact CD1-CG1 3.62Å; I537-V549 HydrophobicContact CG2-CG1 3.95Å; I537-V549 HydrophobicContact CG2-CG2 4.13Å; I537-L556 HydrophobicContact CD1-CD1 4.02Å
538	G	92.1	Very high	90.4	Very high	12 Å²	12	68.6 Å²	68.6	12%	0.124	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	164.9	176	0	0	0	0	0	113.6	V526 L536	V526-G538 PolarHBondContact N-O 3.39Å; V526-G538 PolarHBondContact O-N 3.32Å; L536-G538 WeakPolarHBondContact CD1-O 3.3Å
539	R	95	Very high	90.2	Very high	89 Å²	89	68.1 Å²	68.1	34%	0.336	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.4	170.6	178.4	173.2	173.2	148.8	-6.8	107.1	C519 Y523 L524 E525	C519-R539 HydrophobicContact CB-CG 4.08Å; C519-R539 VanDerWaalsContact O-CZ 3.25Å; C519-R539 PolarHBondContact O-NE 3.47Å; C519-R539 PolarHBondContact O-NH2 2.93Å; Y523-R539 HydrophobicContact CD2-CG 3.76Å; Y523-R539 HydrophobicContact CG-CG 4.1Å; L524-R539 CarbonylContact O-C 3.57Å; L524-R539 WeakPolarHBondContact O-CA 3.45Å; E525-R539 IonicContact OE2-NH1 3.81Å
540	F	95.4	Very high	90	Very high	46 Å²	46	72.8 Å²	72.8	20%	0.202	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.2	-164.4	-50.9	-77.6	0	0	0	110.4	F511 Y523 L524 V526 P546	F511-F540 HydrophobicContact CE1-CB 4.18Å; F511-F540 HydrophobicContact CE2-CB 4.12Å; F511-F540 HydrophobicContact CZ-CB 3.47Å; F511-F540 VanDerWaalsContact CZ-CB 3.47Å; Y523-F540 WeakPolarHBondContact CA-O 3.23Å; L524-F540 PolarHBondContact N-O 2.68Å; L524-F540 PolarHBondContact O-N 2.81Å; V526-F540 HydrophobicContact CB-CE2 4.3Å; V526-F540 HydrophobicContact CG2-CD2 4.21Å; V526-F540 HydrophobicContact CG2-CE2 3.85Å; F540-P546 HydrophobicContact CB-CG 3.89Å; F540-P546 HydrophobicContact CD1-CB 3.76Å; F540-P546 HydrophobicContact CD1-CG 3.81Å; F540-P546 HydrophobicContact CD2-CG 4.46Å; F540-P546 HydrophobicContact CE1-CB 3.91Å; F540-P546 HydrophobicContact CE1-CG 4.45Å; F540-P546 HydrophobicContact CG-CB 4.13Å; F540-P546 HydrophobicContact CG-CG 3.81Å; F540-P546 HydrophobicContact CZ-CB 4.39Å
541	C	93.9	Very high	90.1	Very high	20 Å²	20	70.3 Å²	70.3	14%	0.135	35%	0.352	C	S	.	.			trans	-160.2	173.3	178	68	0	0	0	0	109.7	I513 E514 H516 C519 D522	I513-C541 HydrophobicContact CG2-CB 4.2Å; E514-C541 WeakPolarHBondContact O-CB 3.09Å; H516-C541 PolarHBondContact O-SG 2.98Å; C519-C541 WeakPolarHBondContact CA-SG 3.29Å; C519-C541 HydrophobicContact CB-CB 3.55Å; C519-C541 WeakPolarHBondContact CB-SG 3.41Å; C519-C541 WeakPolarHBondContact SG-CB 3.26Å; C519-C541 PolarHBondContact SG-N 2.93Å; C519-C541 VanDerWaalsContact SG-N 3.4Å; C519-C541 CovalentContact SG-SG 2.03Å; C519-C541 PolarHBondContact SG-SG 2.87Å; D522-C541 WeakPolarHBondContact O-CB 3.32Å
542	G	88.2	Confident	90	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.01	36%	0.36	C	S	.	.	S	Bend	trans	78.4	-158.3	-173.5	0	0	0	0	0	114.2	F511 I513 E514	F511-G542 WeakPolarHBondContact CD1-O 3.27Å; I513-G542 PolarHBondContact N-O 2.91Å; I513-G542 CarbonylContact O-C 3.59Å; I513-G542 WeakPolarHBondContact O-CA 3.47Å; I513-G542 PolarHBondContact O-N 3Å; I513-G542 VanDerWaalsContact O-N 3.11Å; E514-G542 PolarHBondContact O-N 2.78Å
543	Y	79.5	Confident	89.9	Confident	115 Å²	115	67.5 Å²	67.5	45%	0.451	35%	0.348	S	S	.	.	S	Bend	trans	-107.1	-8.6	-169.4	-51.6	-81.5	0	0	0	113.8	E512 R515 K545 K568	E512-Y543 HydrophobicContact CB-CD1 4.15Å; E512-Y543 HydrophobicContact CG-CD1 4.09Å; R515-Y543 HydrophobicContact CB-CE2 4.33Å; Y543-K545 PolarHBondContact O-N 3.42Å; Y543-K568 HydrophobicContact CE1-CD 4.12Å; Y543-K568 VanDerWaalsContact OH-CE 3.28Å; Y543-K568 WeakPolarHBondContact OH-CE 3.35Å; Y543-K568 PolarHBondContact OH-NZ 2.86Å
544	D	80.1	Confident	90	Very high	127 Å²	127	64.5 Å²	64.5	68%	0.679	33%	0.325	S	S	*	.	S	Bend	trans	-78.1	116.9	-179.9	-62.4	-64.5	0	0	0	109.3	P546	D544-P546 VanDerWaalsContact O-CD 3.32Å; D544-P546 WeakPolarHBondContact O-CD 3.49Å
545	K	80.6	Confident	90	Very high	100 Å²	100	64.4 Å²	64.4	44%	0.435	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-59.9	122.1	-179.3	-164.8	-150.5	106.1	150	0	109.8	F508 Y543 D548	F508-K545 HydrophobicContact CB-CD 4.02Å; F508-K545 HydrophobicContact CB-CG 3.77Å; F508-K545 WeakPolarHBondContact O-CD 3.25Å; F508-K545 WeakPolarHBondContact O-CE 3.26Å; F508-K545 PolarHBondContact O-NZ 3.16Å; Y543-K545 PolarHBondContact O-N 3.42Å; K545-D548 IonicContact NZ-OD1 3.65Å; K545-D548 PolarHBondContact NZ-OD1 3.47Å; K545-D548 IonicContact NZ-OD2 2.8Å
546	P	88.4	Confident	90	Very high	10 Å²	10	60.1 Å²	60.1	7%	0.065	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-60.1	151.8	174.8	-23.8	34.1	0	0	0	112.1	F508 F511 F540 D544	F508-P546 HydrophobicContact CD2-CB 3.79Å; F508-P546 HydrophobicContact CD2-CG 4.14Å; F508-P546 HydrophobicContact CE2-CB 3.8Å; F508-P546 HydrophobicContact CE2-CG 4.13Å; F508-P546 HydrophobicContact CG-CG 4.49Å; F508-P546 HydrophobicContact CZ-CG 4.48Å; F511-P546 HydrophobicContact CD1-CG 4.22Å; F511-P546 HydrophobicContact CD2-CG 3.9Å; F511-P546 HydrophobicContact CE1-CG 4.21Å; F511-P546 HydrophobicContact CE2-CG 3.89Å; F511-P546 VanDerWaalsContact CG-CD 3.44Å; F511-P546 HydrophobicContact CG-CG 4.07Å; F511-P546 HydrophobicContact CZ-CG 4.05Å; F540-P546 HydrophobicContact CB-CG 3.89Å; F540-P546 HydrophobicContact CD1-CB 3.76Å; F540-P546 HydrophobicContact CD1-CG 3.81Å; F540-P546 HydrophobicContact CD2-CG 4.46Å; F540-P546 HydrophobicContact CE1-CB 3.91Å; F540-P546 HydrophobicContact CE1-CG 4.45Å; F540-P546 HydrophobicContact CG-CB 4.13Å; F540-P546 HydrophobicContact CG-CG 3.81Å; F540-P546 HydrophobicContact CZ-CB 4.39Å; D544-P546 VanDerWaalsContact O-CD 3.32Å; D544-P546 WeakPolarHBondContact O-CD 3.49Å
547	E	85.8	Confident	90.1	Very high	176 Å²	176	56.5 Å²	56.5	82%	0.822	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-60.7	155.5	169	-62.7	-167.8	150.3	0	0	111.1
548	D	84.5	Confident	90.1	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-75.8	130.5	-178.3	-55.4	-46.9	0	0	0	110.3	L506 S507 F508 K545 L598	L506-D548 CarbonylContact O-C 3.44Å; L506-D548 WeakPolarHBondContact O-CA 3.41Å; S507-D548 WeakPolarHBondContact CA-OD1 3.48Å; S507-D548 VanDerWaalsContact CB-OD1 3.24Å; S507-D548 WeakPolarHBondContact CB-OD1 3.41Å; S507-D548 PolarHBondContact OG-OD1 3.11Å; S507-D548 PolarHBondContact OG-OD2 2.91Å; F508-D548 PolarHBondContact N-OD1 2.91Å; K545-D548 IonicContact NZ-OD1 3.65Å; K545-D548 PolarHBondContact NZ-OD1 3.47Å; K545-D548 IonicContact NZ-OD2 2.8Å; D548-L598 HydrophobicContact CB-CD2 3.63Å
549	V	90.8	Very high	90.2	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.8	-166.5	164.9	0	0	0	0	111.9	G505 L506 V526 I537 L556	G505-V549 CarbonylContact C-O 3.55Å; G505-V549 WeakPolarHBondContact CA-O 3.2Å; L506-V549 HydrophobicContact CB-CB 4.23Å; L506-V549 HydrophobicContact CD2-CB 4.49Å; L506-V549 PolarHBondContact N-O 2.94Å; L506-V549 PolarHBondContact O-N 2.91Å; V526-V549 HydrophobicContact CG1-CG1 4.29Å; I537-V549 HydrophobicContact CD1-CG1 3.62Å; I537-V549 HydrophobicContact CG2-CG1 3.95Å; I537-V549 HydrophobicContact CG2-CG2 4.13Å; V549-L556 HydrophobicContact CG1-CD1 4.1Å
550	R	89.6	Confident	90.2	Very high	103 Å²	103	49.5 Å²	49.5	39%	0.389	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.7	170.1	-175	172.7	173.5	176.2	0.3	110	N503 E578 D580 L598	N503-R550 HydrophobicContact CB-CG 4.5Å; R550-E578 HydrophobicContact CG-CG 4.14Å; R550-E578 IonicContact CZ-OE1 3.2Å; R550-E578 IonicContact NE-OE1 3.67Å; R550-E578 IonicContact NH1-OE1 3.64Å; R550-D580 IonicContact NH1-OD2 3.89Å; R550-D580 IonicContact NH2-OD2 3.24Å; R550-L598 HydrophobicContact CB-CD1 3.74Å; R550-L598 HydrophobicContact CG-CD1 4.2Å
551	S	92.4	Very high	90.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	24%	0.24	C	C	.	.			trans	-74.8	163	168.6	64.9	0	0	0	0	111.5	N503 V504 D528 S553	N503-S551 PolarHBondContact ND2-O 2.83Å; V504-S551 WeakPolarHBondContact CA-OG 3.34Å; V504-S551 WeakPolarHBondContact CB-OG 3.2Å; V504-S551 PolarHBondContact N-OG 3.14Å; V504-S551 PolarHBondContact O-N 3.36Å; V504-S551 PolarHBondContact O-OG 2.82Å; D528-S551 WeakPolarHBondContact OD1-CA 3.19Å; D528-S551 VanDerWaalsContact OD1-CB 3.25Å; D528-S551 WeakPolarHBondContact OD1-CB 3.37Å; S551-S553 PolarHBondContact OG-O 3.26Å
552	T	90.1	Very high	90.1	Very high	110 Å²	110	47.9 Å²	47.9	68%	0.675	24%	0.236	S	C	*	.	S	Bend	trans	-88.1	-11.4	168.7	64.5	0	0	0	0	113.2	D528	D528-T552 VanDerWaalsContact CG-N 3.32Å; D528-T552 PolarHBondContact OD1-N 3Å; D528-T552 PolarHBondContact OD1-OG1 3.43Å; D528-T552 VanDerWaalsContact OD2-CB 3.26Å; D528-T552 WeakPolarHBondContact OD2-CB 3.32Å; D528-T552 WeakPolarHBondContact OD2-CG2 3.48Å; D528-T552 PolarHBondContact OD2-N 2.7Å; D528-T552 VanDerWaalsContact OD2-N 3.15Å; D528-T552 PolarHBondContact OD2-OG1 3.39Å
553	S	90.5	Very high	90.2	Very high	33 Å²	33	50.2 Å²	50.2	23%	0.231	25%	0.248	C	C	.	.	S	Bend	trans	-126.5	168	-178.1	81.9	0	0	0	0	113.3	S551 T555	S551-S553 PolarHBondContact OG-O 3.26Å; S553-T555 PolarHBondContact O-N 3.45Å; S553-T555 PolarHBondContact OG-N 3.07Å; S553-T555 VanDerWaalsContact OG-N 3.13Å; S553-T555 PolarHBondContact OG-O 2.98Å; S553-T555 PolarHBondContact OG-OG1 3.02Å
554	H	93	Very high	90.4	Very high	61 Å²	61	47.3 Å²	47.3	28%	0.282	25%	0.253	S	S	.	.	S	Bend	trans	-65.1	5.8	171	75.2	-77.1	0	0	0	114.6	T497 V498 Y502	T497-H554 WeakPolarHBondContact CA-O 3.41Å; V498-H554 HydrophobicContact CG2-CB 3.92Å; V498-H554 PolarHBondContact N-O 3.16Å; Y502-H554 WeakPolarHBondContact O-CA 3.1Å; Y502-H554 VanDerWaalsContact O-CB 3.22Å; Y502-H554 WeakPolarHBondContact O-CB 3.11Å; Y502-H554 PolarHBondContact O-N 3.49Å
555	T	94.6	Very high	90.5	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.6	178.3	59	0	0	0	0	112.1	I496 T497 G529 P530 S553	I496-T555 WeakPolarHBondContact O-CA 3.06Å; T497-T555 HydrophobicContact CG2-CG2 4.11Å; G529-T555 WeakPolarHBondContact CA-O 3.34Å; G529-T555 WeakPolarHBondContact CA-OG1 3.45Å; G529-T555 PolarHBondContact N-O 2.82Å; G529-T555 VanDerWaalsContact N-O 3.17Å; P530-T555 HydrophobicContact CB-CG2 4.46Å; P530-T555 WeakPolarHBondContact CD-OG1 3.5Å; S553-T555 PolarHBondContact O-N 3.45Å; S553-T555 PolarHBondContact OG-N 3.07Å; S553-T555 VanDerWaalsContact OG-N 3.13Å; S553-T555 PolarHBondContact OG-O 2.98Å; S553-T555 PolarHBondContact OG-OG1 3.02Å
556	L	95.8	Very high	90.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.4	175.3	180	124.7	0	0	0	109	I496 V504 L506 V526 G529 I537 V549	I496-L556 HydrophobicContact CB-CB 4.5Å; I496-L556 HydrophobicContact CD1-CD2 3.78Å; I496-L556 HydrophobicContact CG1-CD2 4.45Å; I496-L556 PolarHBondContact N-O 3.08Å; I496-L556 PolarHBondContact O-N 3.04Å; I496-L556 VanDerWaalsContact O-N 3.13Å; V504-L556 HydrophobicContact CB-CB 3.91Å; V504-L556 HydrophobicContact CG1-CB 4.01Å; V504-L556 HydrophobicContact CG2-CB 3.97Å; L506-L556 HydrophobicContact CD2-CD2 4.26Å; V526-L556 HydrophobicContact CG1-CD1 3.87Å; V526-L556 HydrophobicContact CG1-CD2 4.01Å; V526-L556 HydrophobicContact CG1-CG 4.11Å; G529-L556 CarbonylContact O-C 3.55Å; G529-L556 VanDerWaalsContact O-C 3.23Å; G529-L556 WeakPolarHBondContact O-CA 3.15Å; I537-L556 HydrophobicContact CD1-CD1 4.02Å; V549-L556 HydrophobicContact CG1-CD1 4.1Å
557	W	96.5	Very high	89.8	Confident	15 Å²	15	45.6 Å²	45.6	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.6	-179.2	-179.5	102.2	0	0	0	109.1	V493 R527 G529 E532 K559	V493-W557 HydrophobicContact CG1-CZ2 3.81Å; V493-W557 VanDerWaalsContact CG1-NE1 3.32Å; R527-W557 HydrophobicContact CB-CB 4.39Å; R527-W557 HydrophobicContact CB-CE3 3.91Å; R527-W557 HydrophobicContact CG-CE3 3.69Å; R527-W557 HydrophobicContact CG-CZ3 3.92Å; R527-W557 PolarHBondContact N-O 2.73Å; R527-W557 PolarHBondContact O-N 2.86Å; G529-W557 VanDerWaalsContact O-CB 3.29Å; G529-W557 WeakPolarHBondContact O-CB 3.47Å; G529-W557 PolarHBondContact O-N 3.43Å; E532-W557 HydrophobicContact CB-CH2 3.83Å; E532-W557 HydrophobicContact CB-CZ2 3.45Å; E532-W557 VanDerWaalsContact CB-CZ2 3.45Å; E532-W557 HydrophobicContact CG-CH2 3.57Å; E532-W557 HydrophobicContact CG-CZ2 3.65Å; W557-K559 HydrophobicContact CE3-CB 4.36Å; W557-K559 HydrophobicContact CH2-CB 3.4Å; W557-K559 VanDerWaalsContact CH2-CB 3.4Å; W557-K559 HydrophobicContact CH2-CD 3.48Å; W557-K559 VanDerWaalsContact CH2-CD 3.48Å; W557-K559 HydrophobicContact CH2-CG 4.1Å; W557-K559 HydrophobicContact CZ2-CB 4.02Å; W557-K559 HydrophobicContact CZ2-CD 4.03Å; W557-K559 HydrophobicContact CZ3-CB 3.57Å; W557-K559 HydrophobicContact CZ3-CD 4.37Å
558	M	95	Very high	89.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.9	-174.2	-176.9	170.4	74.4	0	0	110.4	I477 V493 W494 L506 L524 E525 V526 F571	I477-M558 HydrophobicContact CB-CE 4.12Å; I477-M558 HydrophobicContact CD1-CE 3.77Å; I477-M558 HydrophobicContact CG2-CE 3.57Å; V493-M558 CarbonylContact C-O 3.49Å; V493-M558 WeakPolarHBondContact CA-O 3.26Å; W494-M558 HydrophobicContact CD2-CE 3.98Å; W494-M558 HydrophobicContact CE3-CB 4.46Å; W494-M558 HydrophobicContact CE3-CE 3.68Å; W494-M558 HydrophobicContact CE3-CG 4.24Å; W494-M558 HydrophobicContact CG-CE 4.37Å; W494-M558 HydrophobicContact CZ3-CE 4.16Å; W494-M558 PolarHBondContact N-O 3.41Å; W494-M558 PolarHBondContact O-N 3.02Å; L506-M558 HydrophobicContact CD2-SD 4.05Å; L524-M558 HydrophobicContact CD1-CG 3.61Å; L524-M558 HydrophobicContact CD1-SD 3.94Å; L524-M558 HydrophobicContact CD2-SD 4.14Å; L524-M558 HydrophobicContact CG-CG 4.29Å; L524-M558 HydrophobicContact CG-SD 4.39Å; E525-M558 CarbonylContact O-C 3.59Å; E525-M558 VanDerWaalsContact O-CA 3.32Å; E525-M558 WeakPolarHBondContact O-CA 3.3Å; V526-M558 HydrophobicContact CG2-CG 4.17Å; V526-M558 HydrophobicContact CG2-SD 4.34Å; M558-F571 HydrophobicContact CE-CE2 4.17Å; M558-F571 HydrophobicContact CE-CZ 4.47Å
559	K	95.3	Very high	89.1	Confident	19 Å²	19	36.9 Å²	36.9	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	118.9	-177.5	172	169	175.9	153.7	0	110.8	E491 C492 V493 E525 E532 W557 V561	E491-K559 WeakPolarHBondContact OE1-CE 3.3Å; E491-K559 IonicContact OE1-NZ 3.74Å; E491-K559 PolarHBondContact OE1-NZ 2.98Å; E491-K559 IonicContact OE2-NZ 3.99Å; C492-K559 CarbonylContact O-C 3.44Å; C492-K559 VanDerWaalsContact O-CA 3.26Å; C492-K559 WeakPolarHBondContact O-CA 3.44Å; V493-K559 HydrophobicContact CG2-CB 4.2Å; V493-K559 HydrophobicContact CG2-CD 4.1Å; V493-K559 HydrophobicContact CG2-CG 3.99Å; E525-K559 HydrophobicContact CB-CB 4.45Å; E525-K559 PolarHBondContact N-O 3.5Å; E525-K559 PolarHBondContact O-N 3.21Å; E532-K559 IonicContact OE1-NZ 3.51Å; E532-K559 PolarHBondContact OE1-NZ 2.64Å; W557-K559 HydrophobicContact CE3-CB 4.36Å; W557-K559 HydrophobicContact CH2-CB 3.4Å; W557-K559 VanDerWaalsContact CH2-CB 3.4Å; W557-K559 HydrophobicContact CH2-CD 3.48Å; W557-K559 VanDerWaalsContact CH2-CD 3.48Å; W557-K559 HydrophobicContact CH2-CG 4.1Å; W557-K559 HydrophobicContact CZ2-CB 4.02Å; W557-K559 HydrophobicContact CZ2-CD 4.03Å; W557-K559 HydrophobicContact CZ3-CB 3.57Å; W557-K559 HydrophobicContact CZ3-CD 4.37Å; K559-V561 HydrophobicContact CD-CG2 4.4Å; K559-V561 HydrophobicContact CG-CG2 3.97Å
560	F	94.9	Very high	88.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.3	167.3	171.7	-109.9	0	0	0	109.5	Y486 E491 C492 W494 I513 Y523 L524 F571	Y486-F560 AromaticContact CD1-CZ 3.86Å; Y486-F560 HydrophobicContact CD1-CZ 3.86Å; Y486-F560 HydrophobicContact CD2-CE1 4.37Å; Y486-F560 AromaticContact CD2-CZ 3.81Å; Y486-F560 HydrophobicContact CD2-CZ 3.81Å; Y486-F560 HydrophobicContact CE1-CE2 4.46Å; Y486-F560 HydrophobicContact CE1-CZ 4.05Å; Y486-F560 AromaticContact CE2-CZ 3.98Å; Y486-F560 HydrophobicContact CE2-CZ 3.98Å; Y486-F560 HydrophobicContact CG-CE1 4.26Å; Y486-F560 AromaticContact CG-CZ 3.77Å; Y486-F560 HydrophobicContact CG-CZ 3.77Å; E491-F560 WeakPolarHBondContact CA-O 2.87Å; C492-F560 HydrophobicContact CB-CB 4.15Å; C492-F560 HydrophobicContact CB-CD1 4.41Å; C492-F560 PolarHBondContact N-O 2.82Å; C492-F560 PolarHBondContact O-N 3.4Å; W494-F560 HydrophobicContact CH2-CB 4.03Å; W494-F560 HydrophobicContact CZ3-CB 3.74Å; I513-F560 HydrophobicContact CD1-CD2 4.02Å; I513-F560 HydrophobicContact CD1-CE2 3.86Å; I513-F560 HydrophobicContact CG1-CE2 4.29Å; I513-F560 HydrophobicContact CG2-CE2 4.44Å; Y523-F560 WeakPolarHBondContact O-CA 3.23Å; Y523-F560 VanDerWaalsContact O-CD2 3.29Å; Y523-F560 WeakPolarHBondContact O-CD2 3.26Å; L524-F560 HydrophobicContact CD1-CB 3.89Å; F560-F571 HydrophobicContact CB-CE1 3.89Å; F560-F571 HydrophobicContact CB-CZ 4.27Å; F560-F571 HydrophobicContact CD2-CD1 4.39Å; F560-F571 AromaticContact CD2-CE1 3.84Å; F560-F571 HydrophobicContact CD2-CE1 3.84Å; F560-F571 AromaticContact CG-CE1 3.85Å; F560-F571 HydrophobicContact CG-CE1 3.85Å
561	V	94.7	Very high	88.7	Confident	26 Å²	26	31.3 Å²	31.3	16%	0.158	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.4	174.1	-178.6	0	0	0	0	108.9	K490 E491 D522 Y523 K559	K490-V561 CarbonylContact O-C 3.36Å; K490-V561 VanDerWaalsContact O-CA 3.3Å; K490-V561 WeakPolarHBondContact O-CA 3.44Å; E491-V561 HydrophobicContact CG-CG2 4.34Å; D522-V561 WeakPolarHBondContact CA-O 3.08Å; Y523-V561 HydrophobicContact CD1-CB 4.05Å; Y523-V561 HydrophobicContact CE1-CB 3.6Å; Y523-V561 HydrophobicContact CE1-CG1 4.02Å; Y523-V561 HydrophobicContact CE1-CG2 3.93Å; Y523-V561 HydrophobicContact CE2-CB 4.49Å; Y523-V561 HydrophobicContact CE2-CG2 4.16Å; Y523-V561 PolarHBondContact N-O 2.03Å; Y523-V561 PolarHBondContact O-N 2.83Å; K559-V561 HydrophobicContact CD-CG2 4.4Å; K559-V561 HydrophobicContact CG-CG2 3.97Å
562	S	92.4	Very high	88.2	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.035	19%	0.189	C	C	.	.			trans	-120.8	147.4	164.3	62.3	0	0	0	0	112.4	R487 S489 K490 D522	R487-S562 PolarHBondContact O-OG 2.92Å; S489-S562 VanDerWaalsContact CA-O 3.26Å; S489-S562 WeakPolarHBondContact CA-O 3.38Å; S489-S562 PolarHBondContact N-O 3.44Å; S489-S562 PolarHBondContact N-OG 2.9Å; K490-S562 WeakPolarHBondContact CB-OG 3.48Å; K490-S562 PolarHBondContact N-O 3.16Å; K490-S562 PolarHBondContact N-OG 3.38Å; K490-S562 PolarHBondContact O-N 3.19Å; D522-S562 WeakPolarHBondContact OD1-CA 3.4Å
563	D	90.2	Very high	88	Confident	51 Å²	51	26 Å²	26	27%	0.273	16%	0.157	S	C	.	.			trans	-91.6	-175.5	-178	126.1	-43.3	0	0	0	111.1	P488 S489 D522 T565	P488-D563 CarbonylContact C-O 3.57Å; P488-D563 WeakPolarHBondContact CA-O 2.96Å; P488-D563 WeakPolarHBondContact CB-O 3.5Å; S489-D563 PolarHBondContact N-O 3.28Å; D522-D563 PolarHBondContact OD1-N 3.1Å; D563-T565 PolarHBondContact O-N 3.42Å; D563-T565 WeakPolarHBondContact OD1-CA 2.98Å; D563-T565 WeakPolarHBondContact OD1-CB 3.38Å; D563-T565 PolarHBondContact OD1-N 2.78Å; D563-T565 PolarHBondContact OD1-OG1 2.03Å
564	G	83.6	Confident	87.6	Confident	53 Å²	53	27 Å²	27	55%	0.546	16%	0.16	S	C	.	.	S	Bend	trans	-70.5	-1.6	-177.8	0	0	0	0	0	116.1
565	T	81.5	Confident	87.5	Confident	82 Å²	82	24.4 Å²	24.4	50%	0.503	15%	0.147	S	C	.	.	S	Bend	trans	-139.1	-172.2	-161.6	15	0	0	0	0	113	D563 N567	D563-T565 PolarHBondContact O-N 3.42Å; D563-T565 WeakPolarHBondContact OD1-CA 2.98Å; D563-T565 WeakPolarHBondContact OD1-CB 3.38Å; D563-T565 PolarHBondContact OD1-N 2.78Å; D563-T565 PolarHBondContact OD1-OG1 2.03Å; T565-N567 PolarHBondContact O-N 2.7Å; T565-N567 PolarHBondContact O-ND2 2.91Å
566	V	76.4	Confident	87.1	Confident	74 Å²	74	25.8 Å²	25.8	45%	0.448	15%	0.152	S	C	.	.			trans	13	82.4	174	-166.4	0	0	0	0	117.3	E514	E514-V566 HydrophobicContact CG-CB 3.98Å; E514-V566 HydrophobicContact CG-CG1 3.85Å; E514-V566 WeakPolarHBondContact OE1-CB 3.16Å; E514-V566 WeakPolarHBondContact OE1-CG2 3.36Å
567	N	78.6	Confident	86.7	Confident	45 Å²	45	29.5 Å²	29.5	24%	0.241	17%	0.168	C	C	.	.			trans	-86.9	163.4	176.4	-47.9	122.1	0	0	0	113.4	D485 Y486 P488 T565	D485-N567 HydrophobicContact CB-CB 4.3Å; Y486-N567 HydrophobicContact CD2-CB 3.97Å; Y486-N567 HydrophobicContact CE2-CB 3.91Å; Y486-N567 WeakPolarHBondContact CE2-ND2 3.29Å; Y486-N567 WeakPolarHBondContact O-CB 3.5Å; Y486-N567 VanDerWaalsContact O-CG 3.24Å; P488-N567 WeakPolarHBondContact CD-OD1 3.41Å; T565-N567 PolarHBondContact O-N 2.7Å; T565-N567 PolarHBondContact O-ND2 2.91Å
568	K	81.7	Confident	86.1	Confident	56 Å²	56	29 Å²	29	24%	0.243	17%	0.166	C	C	.	.			trans	-144.8	171.3	-178.5	-60.8	-63.5	160.1	-174.2	0	110.6	D485 Y486 E512 Y543 G570	D485-K568 CarbonylContact C-O 3.59Å; D485-K568 VanDerWaalsContact CA-O 3.23Å; D485-K568 WeakPolarHBondContact CA-O 3.05Å; D485-K568 WeakPolarHBondContact OD1-CA 3.49Å; Y486-K568 WeakPolarHBondContact CD1-O 3.16Å; Y486-K568 HydrophobicContact CE1-CB 3.89Å; Y486-K568 WeakPolarHBondContact CE1-O 3.42Å; Y486-K568 PolarHBondContact N-O 3.15Å; E512-K568 HydrophobicContact CB-CB 4.36Å; E512-K568 WeakPolarHBondContact O-CB 3.46Å; Y543-K568 HydrophobicContact CE1-CD 4.12Å; Y543-K568 VanDerWaalsContact OH-CE 3.28Å; Y543-K568 WeakPolarHBondContact OH-CE 3.35Å; Y543-K568 PolarHBondContact OH-NZ 2.86Å; K568-G570 PolarHBondContact O-N 3.26Å; K568-G570 VanDerWaalsContact O-N 3.07Å
569	A	73.5	Confident	85.4	Confident	13 Å²	13	32.2 Å²	32.2	11%	0.107	18%	0.182	C	C	.	.			trans	-56.4	-26.8	-179.2	0	0	0	0	0	113.8	Y482 P483 D485 E512	Y482-A569 VanDerWaalsContact CD2-O 3.29Å; Y482-A569 WeakPolarHBondContact CD2-O 3.28Å; P483-A569 WeakPolarHBondContact O-CB 3.23Å; D485-A569 PolarHBondContact OD1-N 2.83Å; D485-A569 VanDerWaalsContact OD1-N 3.09Å; E512-A569 HydrophobicContact CB-CB 4.4Å
570	G	85	Confident	84.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.7	-145.4	177	0	0	0	0	0	113	S479 F511 E512 K568	S479-G570 VanDerWaalsContact OG-CA 3.32Å; S479-G570 WeakPolarHBondContact OG-CA 3.47Å; F511-G570 CarbonylContact C-O 3.56Å; E512-G570 PolarHBondContact N-O 2.98Å; E512-G570 WeakPolarHBondContact O-CA 3.42Å; E512-G570 PolarHBondContact O-N 2.86Å; K568-G570 PolarHBondContact O-N 3.26Å; K568-G570 VanDerWaalsContact O-N 3.07Å
571	F	87.4	Confident	83.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.8	-173.6	70.6	-86.8	0	0	0	113	I477 Q478 S479 W494 F508 A510 F511 I513 L524 M558 F560 A573	I477-F571 HydrophobicContact CG2-CE2 4.33Å; Q478-F571 CarbonylContact C-O 3.39Å; Q478-F571 VanDerWaalsContact CA-O 3.28Å; Q478-F571 WeakPolarHBondContact CA-O 3.39Å; S479-F571 PolarHBondContact N-O 2.86Å; S479-F571 PolarHBondContact OG-N 2.76Å; S479-F571 PolarHBondContact OG-O 3.25Å; W494-F571 AromaticContact CH2-CZ 3.78Å; W494-F571 HydrophobicContact CH2-CZ 3.78Å; W494-F571 AromaticContact CZ3-CZ 3.95Å; W494-F571 HydrophobicContact CZ3-CZ 3.95Å; F508-F571 HydrophobicContact CE1-CD2 4.25Å; A510-F571 VanDerWaalsContact O-CA 3.32Å; A510-F571 WeakPolarHBondContact O-CA 3.38Å; F511-F571 HydrophobicContact CD2-CB 3.69Å; F511-F571 HydrophobicContact CD2-CG 4.48Å; F511-F571 HydrophobicContact CE2-CB 4.28Å; F511-F571 HydrophobicContact CG-CB 4.46Å; I513-F571 HydrophobicContact CD1-CD1 4.11Å; L524-F571 HydrophobicContact CD1-CE1 3.76Å; L524-F571 HydrophobicContact CD1-CE2 4.21Å; L524-F571 HydrophobicContact CD1-CZ 3.57Å; L524-F571 HydrophobicContact CD2-CD1 4.34Å; L524-F571 HydrophobicContact CD2-CD2 4.13Å; L524-F571 HydrophobicContact CD2-CE1 4.28Å; L524-F571 HydrophobicContact CD2-CE2 4.06Å; L524-F571 HydrophobicContact CD2-CG 4.28Å; L524-F571 HydrophobicContact CD2-CZ 4.14Å; L524-F571 HydrophobicContact CG-CE1 4.48Å; L524-F571 HydrophobicContact CG-CZ 4.47Å; M558-F571 HydrophobicContact CE-CE2 4.17Å; M558-F571 HydrophobicContact CE-CZ 4.47Å; F560-F571 HydrophobicContact CB-CE1 3.89Å; F560-F571 HydrophobicContact CB-CZ 4.27Å; F560-F571 HydrophobicContact CD2-CD1 4.39Å; F560-F571 AromaticContact CD2-CE1 3.84Å; F560-F571 HydrophobicContact CD2-CE1 3.84Å; F560-F571 AromaticContact CG-CE1 3.85Å; F560-F571 HydrophobicContact CG-CE1 3.85Å; F571-A573 HydrophobicContact CD2-CB 4.41Å
572	A	81.9	Confident	83.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128	164.1	0	0	0	0	0	109	Q478 Y482 Q509 A510	Q478-A572 HydrophobicContact CG-CB 4.05Å; Y482-A572 HydrophobicContact CD1-CB 4.02Å; Y482-A572 HydrophobicContact CD2-CB 4.45Å; Y482-A572 HydrophobicContact CE1-CB 3.59Å; Y482-A572 HydrophobicContact CE2-CB 4.06Å; Y482-A572 HydrophobicContact CG-CB 4.45Å; Q509-A572 HydrophobicContact CB-CB 4.37Å; Q509-A572 PolarHBondContact N-O 2.65Å; A510-A572 PolarHBondContact N-O 2.88Å; A510-A572 PolarHBondContact O-N 3.08Å; A510-A572 VanDerWaalsContact O-N 3.08Å
573	A	86.6	Confident	82.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.4	-179.3	0	0	0	0	0	110.9	Q476 I477 L506 S507 F508 F571	Q476-A573 CarbonylContact C-O 3.54Å; Q476-A573 WeakPolarHBondContact CA-O 3.49Å; I477-A573 PolarHBondContact N-O 3.01Å; I477-A573 PolarHBondContact O-N 3.43Å; I477-A573 VanDerWaalsContact O-O 3.11Å; L506-A573 HydrophobicContact CD1-CB 3.84Å; L506-A573 HydrophobicContact CG-CB 4.49Å; S507-A573 CarbonylContact O-C 3.5Å; S507-A573 VanDerWaalsContact O-CA 3.3Å; S507-A573 WeakPolarHBondContact O-CA 3.5Å; F508-A573 HydrophobicContact CD1-CB 3.76Å; F508-A573 HydrophobicContact CE1-CB 3.86Å; F508-A573 HydrophobicContact CG-CB 4.43Å; F571-A573 HydrophobicContact CD2-CB 4.41Å
574	N	82.1	Confident	81.8	Confident	55 Å²	55	39.9 Å²	39.9	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.8	168.5	-76.4	3	0	0	0	109.3	G475 Q476 L506 S507 Q509	G475-N574 WeakPolarHBondContact O-CA 3.46Å; Q476-N574 PolarHBondContact NE2-OD1 2.89Å; L506-N574 CarbonylContact C-O 3.58Å; L506-N574 WeakPolarHBondContact CA-O 3.26Å; S507-N574 PolarHBondContact N-O 3.28Å; S507-N574 PolarHBondContact O-N 3.09Å; Q509-N574 VanDerWaalsContact NE2-CG 3.31Å; Q509-N574 PolarHBondContact NE2-ND2 3.02Å; Q509-N574 PolarHBondContact NE2-OD1 3.11Å
575	F	89.8	Confident	81.6	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.2	164.8	73.8	-87.6	0	0	0	110.1	I470 K472 S474 G475 I477 I496 V504 G505 L506	I470-F575 HydrophobicContact CG2-CE1 4.12Å; I470-F575 HydrophobicContact CG2-CE2 4.03Å; I470-F575 HydrophobicContact CG2-CZ 3.46Å; I470-F575 VanDerWaalsContact CG2-CZ 3.46Å; K472-F575 HydrophobicContact CB-CE2 4.19Å; K472-F575 HydrophobicContact CB-CZ 4.21Å; S474-F575 VanDerWaalsContact C-CZ 3.43Å; S474-F575 CarbonylContact C-O 3.56Å; S474-F575 VanDerWaalsContact CA-O 3.27Å; S474-F575 WeakPolarHBondContact CA-O 3.49Å; S474-F575 WeakPolarHBondContact O-CZ 3.49Å; G475-F575 VanDerWaalsContact C-CE1 3.46Å; G475-F575 VanDerWaalsContact CA-CE1 3.43Å; G475-F575 PolarHBondContact N-O 3.13Å; G475-F575 PolarHBondContact O-N 3.25Å; G475-F575 VanDerWaalsContact O-O 3.12Å; I477-F575 HydrophobicContact CD1-CD1 3.81Å; I477-F575 HydrophobicContact CD1-CE1 4.22Å; I477-F575 HydrophobicContact CG1-CD1 3.89Å; I477-F575 HydrophobicContact CG1-CE1 4.06Å; I496-F575 HydrophobicContact CD1-CB 3.96Å; I496-F575 HydrophobicContact CD1-CD1 4.35Å; I496-F575 HydrophobicContact CD1-CG 4.04Å; I496-F575 HydrophobicContact CG2-CD2 3.58Å; I496-F575 HydrophobicContact CG2-CE2 3.95Å; I496-F575 HydrophobicContact CG2-CG 4.09Å; V504-F575 HydrophobicContact CG1-CB 4.45Å; G505-F575 CarbonylContact O-C 3.59Å; G505-F575 VanDerWaalsContact O-CA 3.24Å; G505-F575 WeakPolarHBondContact O-CA 3.35Å; L506-F575 HydrophobicContact CD1-CB 4.17Å
576	F	85.9	Confident	81.6	Confident	41 Å²	41	45 Å²	45	18%	0.18	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.2	178.4	48.3	-96.8	0	0	0	110.8	D473 G505 E578 L598 G599	D473-F576 CarbonylContact O-C 3.55Å; D473-F576 WeakPolarHBondContact O-CA 3.22Å; G505-F576 PolarHBondContact N-O 3.37Å; G505-F576 PolarHBondContact O-N 3.2Å; F576-E578 PolarHBondContact O-N 3.06Å; F576-L598 HydrophobicContact CE2-CD2 4.35Å; F576-L598 HydrophobicContact CE2-CG 3.89Å; F576-L598 HydrophobicContact CZ-CB 4.34Å; F576-L598 HydrophobicContact CZ-CD2 3.78Å; F576-L598 HydrophobicContact CZ-CG 3.71Å; F576-G599 VanDerWaalsContact CE2-N 3.3Å
577	K	87.1	Confident	81.8	Confident	78 Å²	78	44 Å²	44	34%	0.339	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.5	166.1	62.6	172.9	172.7	-166.8	0	109.4	D473 V498 Y502 N503	D473-K577 HydrophobicContact CB-CD 4.02Å; D473-K577 HydrophobicContact CB-CG 4.2Å; D473-K577 PolarHBondContact O-N 3.23Å; D473-K577 WeakPolarHBondContact OD2-CD 3.02Å; D473-K577 VanDerWaalsContact OD2-CE 3.26Å; D473-K577 WeakPolarHBondContact OD2-CE 3.21Å; D473-K577 IonicContact OD2-NZ 3.81Å; D473-K577 PolarHBondContact OD2-NZ 3.07Å; V498-K577 HydrophobicContact CB-CB 4.09Å; V498-K577 HydrophobicContact CG1-CB 4.17Å; V498-K577 HydrophobicContact CG2-CB 4.39Å; Y502-K577 HydrophobicContact CD1-CB 4.32Å; Y502-K577 HydrophobicContact CD1-CD 3.92Å; Y502-K577 HydrophobicContact CD1-CG 4.47Å; Y502-K577 HydrophobicContact CE1-CD 4.07Å; Y502-K577 HydrophobicContact CG-CB 4.33Å; Y502-K577 HydrophobicContact CG-CD 4.23Å; N503-K577 CarbonylContact O-C 3.56Å; N503-K577 WeakPolarHBondContact O-CA 3.46Å
578	E	84.9	Confident	81.6	Confident	4 Å²	4	42 Å²	42	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.1	168.9	173.4	77.1	165.3	0	0	107.3	N503 R550 F576 L598 G599	N503-E578 HydrophobicContact CB-CB 3.98Å; N503-E578 HydrophobicContact CB-CG 4.26Å; N503-E578 PolarHBondContact N-O 2.72Å; N503-E578 PolarHBondContact O-N 3.38Å; R550-E578 HydrophobicContact CG-CG 4.14Å; R550-E578 IonicContact CZ-OE1 3.2Å; R550-E578 IonicContact NE-OE1 3.67Å; R550-E578 IonicContact NH1-OE1 3.64Å; F576-E578 PolarHBondContact O-N 3.06Å; E578-L598 HydrophobicContact CG-CD1 4.43Å; E578-L598 WeakPolarHBondContact OE2-CA 3.21Å; E578-G599 PolarHBondContact OE2-N 2.86Å
579	E	80.6	Confident	81.4	Confident	69 Å²	69	40.9 Å²	40.9	32%	0.322	24%	0.237	S	C	.	.			trans	-105.2	160.7	165.7	-160.4	173.5	-172.8	0	0	108.5	Y502 E581 K584 N596	Y502-E579 HydrophobicContact CD1-CB 3.92Å; Y502-E579 HydrophobicContact CD1-CG 4.01Å; Y502-E579 HydrophobicContact CE1-CB 4.02Å; Y502-E579 HydrophobicContact CE1-CG 3.81Å; E579-E581 HydrophobicContact CB-CG 4.47Å; E579-K584 WeakPolarHBondContact OE1-CE 3.41Å; E579-K584 IonicContact OE1-NZ 3.66Å; E579-K584 PolarHBondContact OE1-NZ 2.9Å; E579-K584 WeakPolarHBondContact OE2-CE 3.48Å; E579-K584 IonicContact OE2-NZ 3.83Å; E579-K584 PolarHBondContact OE2-NZ 3.34Å; E579-N596 PolarHBondContact O-ND2 3.13Å
580	D	77.4	Confident	81.9	Confident	58 Å²	58	40.6 Å²	40.6	31%	0.31	24%	0.235	S	C	.	.			trans	-104	89.3	163.7	-160.1	-59	0	0	0	107.7	R550 C582 A583 N596	R550-D580 IonicContact NH1-OD2 3.89Å; R550-D580 IonicContact NH2-OD2 3.24Å; D580-C582 PolarHBondContact O-N 2.9Å; D580-C582 WeakPolarHBondContact OD1-CB 3.16Å; D580-C582 PolarHBondContact OD1-N 3.2Å; D580-A583 HydrophobicContact CB-CB 3.89Å; D580-A583 WeakPolarHBondContact O-CB 3.4Å; D580-A583 PolarHBondContact O-N 3.28Å; D580-A583 VanDerWaalsContact O-N 3.14Å; D580-A583 PolarHBondContact OD1-N 2.7Å; D580-N596 WeakPolarHBondContact CA-OD1 3.01Å; D580-N596 PolarHBondContact OD1-OD1 2.74Å
581	E	80.9	Confident	81.7	Confident	30 Å²	30	46.2 Å²	46.2	14%	0.14	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-67.4	-21.1	-178.8	-61.6	109.2	130.3	0	0	112.4	E579 K584 G588 N596 F601	E579-E581 HydrophobicContact CB-CG 4.47Å; E581-K584 HydrophobicContact CB-CD 4.2Å; E581-K584 HydrophobicContact CG-CD 4.46Å; E581-K584 VanDerWaalsContact CG-NZ 3.3Å; E581-K584 WeakPolarHBondContact O-CB 3.31Å; E581-K584 WeakPolarHBondContact O-CG 3.08Å; E581-K584 PolarHBondContact O-N 3.14Å; E581-G588 WeakPolarHBondContact O-CA 3.38Å; E581-G588 PolarHBondContact O-N 3.49Å; E581-G588 VanDerWaalsContact O-N 3.08Å; E581-N596 PolarHBondContact N-OD1 2.95Å; E581-N596 PolarHBondContact OE2-OD1 3.02Å; E581-F601 HydrophobicContact CB-CB 4.18Å; E581-F601 HydrophobicContact CB-CD1 3.41Å; E581-F601 VanDerWaalsContact CB-CD1 3.41Å; E581-F601 HydrophobicContact CB-CE1 3.9Å; E581-F601 HydrophobicContact CB-CG 3.81Å; E581-F601 VanDerWaalsContact CD-CD1 3.47Å; E581-F601 HydrophobicContact CG-CD1 3.7Å; E581-F601 HydrophobicContact CG-CE1 4.1Å
582	C	78.9	Confident	81.5	Confident	27 Å²	27	48.1 Å²	48.1	18%	0.182	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-72.8	-27.7	172.5	-57.1	0	0	0	0	113.1	D580 K584 C594 V595 N596	D580-C582 PolarHBondContact O-N 2.9Å; D580-C582 WeakPolarHBondContact OD1-CB 3.16Å; D580-C582 PolarHBondContact OD1-N 3.2Å; C582-K584 PolarHBondContact O-N 3.38Å; C582-C594 WeakPolarHBondContact CA-SG 3.44Å; C582-C594 HydrophobicContact CB-CB 3.6Å; C582-C594 WeakPolarHBondContact CB-SG 3.33Å; C582-C594 WeakPolarHBondContact SG-CB 3.07Å; C582-C594 CovalentContact SG-SG 2.03Å; C582-C594 PolarHBondContact SG-SG 3.45Å; C582-V595 PolarHBondContact SG-N 3.02Å; C582-N596 PolarHBondContact N-OD1 2.81Å; C582-N596 PolarHBondContact SG-N 3.15Å
583	A	78.8	Confident	81.5	Confident	80 Å²	80	54.2 Å²	54.2	66%	0.661	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72.9	-4.1	172.4	0	0	0	0	0	114.1	D580	D580-A583 HydrophobicContact CB-CB 3.89Å; D580-A583 WeakPolarHBondContact O-CB 3.4Å; D580-A583 PolarHBondContact O-N 3.28Å; D580-A583 VanDerWaalsContact O-N 3.14Å; D580-A583 PolarHBondContact OD1-N 2.7Å
584	K	76.1	Confident	81.2	Confident	66 Å²	66	55 Å²	55	29%	0.287	30%	0.298	S	S	.	.	S	Bend	trans	-73	152.9	176.9	-65.2	174.1	177.9	167.5	0	111.7	E579 E581 C582 D586 N587	E579-K584 WeakPolarHBondContact OE1-CE 3.41Å; E579-K584 IonicContact OE1-NZ 3.66Å; E579-K584 PolarHBondContact OE1-NZ 2.9Å; E579-K584 WeakPolarHBondContact OE2-CE 3.48Å; E579-K584 IonicContact OE2-NZ 3.83Å; E579-K584 PolarHBondContact OE2-NZ 3.34Å; E581-K584 HydrophobicContact CB-CD 4.2Å; E581-K584 HydrophobicContact CG-CD 4.46Å; E581-K584 VanDerWaalsContact CG-NZ 3.3Å; E581-K584 WeakPolarHBondContact O-CB 3.31Å; E581-K584 WeakPolarHBondContact O-CG 3.08Å; E581-K584 PolarHBondContact O-N 3.14Å; C582-K584 PolarHBondContact O-N 3.38Å; K584-D586 WeakPolarHBondContact CB-OD1 3.46Å; K584-D586 PolarHBondContact O-N 3.34Å; K584-N587 PolarHBondContact O-N 3.47Å
585	P	77.9	Confident	81.1	Confident	148 Å²	148	54.1 Å²	54.1	96%	0.961	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.7	-178.3	-23.7	34.7	0	0	0	115.4
586	D	81	Confident	80.3	Confident	96 Å²	96	55.5 Å²	55.5	51%	0.513	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	7.7	178.1	66.9	-32.8	0	0	0	113.7	K584 G588 G589	K584-D586 WeakPolarHBondContact CB-OD1 3.46Å; K584-D586 PolarHBondContact O-N 3.34Å; D586-G588 VanDerWaalsContact C-N 3.3Å; D586-G588 PolarHBondContact O-N 3.46Å; D586-G589 VanDerWaalsContact O-CA 3.28Å; D586-G589 WeakPolarHBondContact O-CA 3.26Å; D586-G589 PolarHBondContact O-N 2.96Å
587	N	80.8	Confident	79.7	Confident	52 Å²	52	56 Å²	56	28%	0.278	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	57.6	40.4	177.5	-175.2	52.6	0	0	0	112	K584 G589 C590 Q592 C594	K584-N587 PolarHBondContact O-N 3.47Å; N587-G589 PolarHBondContact O-N 3.02Å; N587-G589 VanDerWaalsContact O-N 3.12Å; N587-C590 PolarHBondContact ND2-O 2.65Å; N587-C590 VanDerWaalsContact O-CB 3.26Å; N587-C590 WeakPolarHBondContact O-CB 3.42Å; N587-C590 PolarHBondContact O-N 2.65Å; N587-C590 PolarHBondContact O-SG 3.43Å; N587-C590 VanDerWaalsContact O-SG 3.42Å; N587-Q592 PolarHBondContact ND2-O 2.77Å; N587-C594 WeakPolarHBondContact O-CB 3.28Å; N587-C594 WeakPolarHBondContact OD1-CB 3.09Å
588	G	74.5	Confident	78.8	Confident	4 Å²	4	55 Å²	55	4%	0.041	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	66.3	5.2	-171.1	0	0	0	0	0	114.7	E581 D586 C590 F601 K616	E581-G588 WeakPolarHBondContact O-CA 3.38Å; E581-G588 PolarHBondContact O-N 3.49Å; E581-G588 VanDerWaalsContact O-N 3.08Å; D586-G588 VanDerWaalsContact C-N 3.3Å; D586-G588 PolarHBondContact O-N 3.46Å; G588-C590 VanDerWaalsContact C-N 3.34Å; G588-F601 WeakPolarHBondContact O-CE2 3.42Å; G588-F601 WeakPolarHBondContact O-CZ 3.49Å; G588-K616 PolarHBondContact O-NZ 2.9Å
589	G	78	Confident	77.7	Confident	31 Å²	31	56.9 Å²	56.9	32%	0.32	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	75.4	18.6	-165	0	0	0	0	0	113.7	D586 N587	D586-G589 VanDerWaalsContact O-CA 3.28Å; D586-G589 WeakPolarHBondContact O-CA 3.26Å; D586-G589 PolarHBondContact O-N 2.96Å; N587-G589 PolarHBondContact O-N 3.02Å; N587-G589 VanDerWaalsContact O-N 3.12Å
590	C	84.1	Confident	77.2	Confident	8 Å²	8	56.4 Å²	56.4	5%	0.054	33%	0.331	C	S	.	.			trans	-79.1	131.9	171.7	-57.9	0	0	0	0	110.5	N587 G588 Q592 C594 C603	N587-C590 PolarHBondContact ND2-O 2.65Å; N587-C590 VanDerWaalsContact O-CB 3.26Å; N587-C590 WeakPolarHBondContact O-CB 3.42Å; N587-C590 PolarHBondContact O-N 2.65Å; N587-C590 PolarHBondContact O-SG 3.43Å; N587-C590 VanDerWaalsContact O-SG 3.42Å; G588-C590 VanDerWaalsContact C-N 3.34Å; C590-Q592 VanDerWaalsContact C-N 3.33Å; C590-Q592 PolarHBondContact O-N 3.41Å; C590-C594 HydrophobicContact CB-CB 4.18Å; C590-C603 WeakPolarHBondContact CA-SG 3.36Å; C590-C603 HydrophobicContact CB-CB 3.62Å; C590-C603 WeakPolarHBondContact CB-SG 3.42Å; C590-C603 WeakPolarHBondContact SG-CA 3.49Å; C590-C603 WeakPolarHBondContact SG-CB 3.38Å; C590-C603 CovalentContact SG-SG 2.03Å; C590-C603 PolarHBondContact SG-SG 2.88Å
591	E	81.4	Confident	77.2	Confident	117 Å²	117	55.9 Å²	55.9	55%	0.547	33%	0.326	S	S	.	.	S	Bend	trans	-64.3	-38.3	-179.9	-175.7	180	176.4	0	0	112.5	K616 S617 C618	E591-K616 PolarHBondContact N-O 2.87Å; E591-S617 WeakPolarHBondContact OE2-CA 3.46Å; E591-C618 PolarHBondContact OE2-N 3.23Å
592	Q	83.5	Confident	77.2	Confident	41 Å²	41	60.5 Å²	60.5	19%	0.192	35%	0.346	C	S	.	.	S	Bend	trans	-116.4	-93	-177.3	-64.3	177.1	-3.4	0	0	110.8	N587 C590 C605 C618	N587-Q592 PolarHBondContact ND2-O 2.77Å; C590-Q592 VanDerWaalsContact C-N 3.33Å; C590-Q592 PolarHBondContact O-N 3.41Å; Q592-C605 VanDerWaalsContact OE1-CA 3.31Å; Q592-C618 HydrophobicContact CG-CB 4Å; Q592-C618 PolarHBondContact OE1-SG 3.27Å
593	R	80.2	Confident	77.2	Confident	127 Å²	127	59.8 Å²	59.8	48%	0.479	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.7	-169.9	-158.2	175.4	69.9	84.4	5.4	112.3	C603 A604	R593-C603 CarbonylContact O-C 3.43Å; R593-A604 WeakPolarHBondContact CA-O 3.48Å; R593-A604 VanDerWaalsContact CB-O 3.29Å; R593-A604 WeakPolarHBondContact CB-O 3.43Å; R593-A604 PolarHBondContact N-O 3.39Å; R593-A604 PolarHBondContact O-N 3.09Å; R593-A604 VanDerWaalsContact O-O 3.11Å
594	C	80.2	Confident	77.2	Confident	16 Å²	16	57.1 Å²	57.1	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	145.3	168.6	-171.1	0	0	0	0	111	C582 N587 C590 F601	C582-C594 WeakPolarHBondContact CA-SG 3.44Å; C582-C594 HydrophobicContact CB-CB 3.6Å; C582-C594 WeakPolarHBondContact CB-SG 3.33Å; C582-C594 WeakPolarHBondContact SG-CB 3.07Å; C582-C594 CovalentContact SG-SG 2.03Å; C582-C594 PolarHBondContact SG-SG 3.45Å; N587-C594 WeakPolarHBondContact O-CB 3.28Å; N587-C594 WeakPolarHBondContact OD1-CB 3.09Å; C590-C594 HydrophobicContact CB-CB 4.18Å; C594-F601 VanDerWaalsContact SG-CD2 3.59Å
595	V	80.8	Confident	77.5	Confident	37 Å²	37	55.2 Å²	55.2	22%	0.224	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	111.9	173.8	-176.2	0	0	0	0	109.1	C582 F601 K602 A604	C582-V595 PolarHBondContact SG-N 3.02Å; V595-F601 WeakPolarHBondContact O-CA 3.24Å; V595-K602 HydrophobicContact CB-CG 4.02Å; V595-K602 PolarHBondContact N-O 3.16Å; V595-K602 PolarHBondContact O-N 3.22Å; V595-A604 HydrophobicContact CG2-CB 4.32Å
596	N	73.8	Confident	77.3	Confident	35 Å²	35	52 Å²	52	19%	0.187	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	149.4	175.6	-133	77	0	0	0	110.6	E579 D580 E581 C582	E579-N596 PolarHBondContact O-ND2 3.13Å; D580-N596 WeakPolarHBondContact CA-OD1 3.01Å; D580-N596 PolarHBondContact OD1-OD1 2.74Å; E581-N596 PolarHBondContact N-OD1 2.95Å; E581-N596 PolarHBondContact OE2-OD1 3.02Å; C582-N596 PolarHBondContact N-OD1 2.81Å; C582-N596 PolarHBondContact SG-N 3.15Å
597	T	72.3	Confident	76.6	Confident	53 Å²	53	53.8 Å²	53.8	33%	0.325	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.9	177.8	50.5	0	0	0	0	108.3	G599 S600 K602	T597-G599 PolarHBondContact O-N 3.26Å; T597-S600 CarbonylContact C-O 3.56Å; T597-S600 WeakPolarHBondContact CA-O 3.34Å; T597-S600 PolarHBondContact N-O 2.99Å; T597-S600 PolarHBondContact O-N 3.1Å; T597-S600 VanDerWaalsContact O-N 3.16Å; T597-S600 VanDerWaalsContact OG1-C 3.24Å; T597-S600 PolarHBondContact OG1-O 3.09Å; T597-K602 HydrophobicContact CG2-CD 4.46Å
598	L	68	Low	75.4	Confident	57 Å²	57	53.3 Å²	53.3	30%	0.298	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	113	-177.3	-151.9	80.5	0	0	0	110.4	D548 R550 F576 E578	D548-L598 HydrophobicContact CB-CD2 3.63Å; R550-L598 HydrophobicContact CB-CD1 3.74Å; R550-L598 HydrophobicContact CG-CD1 4.2Å; F576-L598 HydrophobicContact CE2-CD2 4.35Å; F576-L598 HydrophobicContact CE2-CG 3.89Å; F576-L598 HydrophobicContact CZ-CB 4.34Å; F576-L598 HydrophobicContact CZ-CD2 3.78Å; F576-L598 HydrophobicContact CZ-CG 3.71Å; E578-L598 HydrophobicContact CG-CD1 4.43Å; E578-L598 WeakPolarHBondContact OE2-CA 3.21Å
599	G	62.6	Low	75.1	Confident	42 Å²	42	58.7 Å²	58.7	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	7.3	-179.6	0	0	0	0	0	115.9	F576 E578 T597	F576-G599 VanDerWaalsContact CE2-N 3.3Å; E578-G599 PolarHBondContact OE2-N 2.86Å; T597-G599 PolarHBondContact O-N 3.26Å
600	S	69.8	Low	74.6	Confident	59 Å²	59	63.1 Å²	63.1	41%	0.413	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-178.6	176.7	-150.2	0	0	0	0	112.7	T597	T597-S600 CarbonylContact C-O 3.56Å; T597-S600 WeakPolarHBondContact CA-O 3.34Å; T597-S600 PolarHBondContact N-O 2.99Å; T597-S600 PolarHBondContact O-N 3.1Å; T597-S600 VanDerWaalsContact O-N 3.16Å; T597-S600 VanDerWaalsContact OG1-C 3.24Å; T597-S600 PolarHBondContact OG1-O 3.09Å
601	F	78	Confident	74.3	Confident	48 Å²	48	66 Å²	66	21%	0.211	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.6	168.1	70.7	-74	0	0	0	110.6	E581 G588 C594 V595	E581-F601 HydrophobicContact CB-CB 4.18Å; E581-F601 HydrophobicContact CB-CD1 3.41Å; E581-F601 VanDerWaalsContact CB-CD1 3.41Å; E581-F601 HydrophobicContact CB-CE1 3.9Å; E581-F601 HydrophobicContact CB-CG 3.81Å; E581-F601 VanDerWaalsContact CD-CD1 3.47Å; E581-F601 HydrophobicContact CG-CD1 3.7Å; E581-F601 HydrophobicContact CG-CE1 4.1Å; G588-F601 WeakPolarHBondContact O-CE2 3.42Å; G588-F601 WeakPolarHBondContact O-CZ 3.49Å; C594-F601 VanDerWaalsContact SG-CD2 3.59Å; V595-F601 WeakPolarHBondContact O-CA 3.24Å
602	K	79.6	Confident	74	Confident	126 Å²	126	60.9 Å²	60.9	55%	0.548	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.7	170.8	63.8	-170.9	175	-170.2	0	110.7	V595 T597	V595-K602 HydrophobicContact CB-CG 4.02Å; V595-K602 PolarHBondContact N-O 3.16Å; V595-K602 PolarHBondContact O-N 3.22Å; T597-K602 HydrophobicContact CG2-CD 4.46Å
603	C	80	Confident	73.6	Confident	12 Å²	12	64 Å²	64	8%	0.081	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	147.5	169.4	-52.6	0	0	0	0	110	C590 R593 L611 K615	C590-C603 WeakPolarHBondContact CA-SG 3.36Å; C590-C603 HydrophobicContact CB-CB 3.62Å; C590-C603 WeakPolarHBondContact CB-SG 3.42Å; C590-C603 WeakPolarHBondContact SG-CA 3.49Å; C590-C603 WeakPolarHBondContact SG-CB 3.38Å; C590-C603 CovalentContact SG-SG 2.03Å; C590-C603 PolarHBondContact SG-SG 2.88Å; R593-C603 CarbonylContact O-C 3.43Å; C603-L611 HydrophobicContact CB-CD1 3.84Å; C603-K615 WeakPolarHBondContact CB-O 3.48Å; C603-K615 PolarHBondContact SG-O 2.85Å
604	A	79.3	Confident	73.4	Confident	24 Å²	24	61.3 Å²	61.3	20%	0.198	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.2	172.9	0	0	0	0	0	108.2	R593 V595	R593-A604 WeakPolarHBondContact CA-O 3.48Å; R593-A604 VanDerWaalsContact CB-O 3.29Å; R593-A604 WeakPolarHBondContact CB-O 3.43Å; R593-A604 PolarHBondContact N-O 3.39Å; R593-A604 PolarHBondContact O-N 3.09Å; R593-A604 VanDerWaalsContact O-O 3.11Å; V595-A604 HydrophobicContact CG2-CB 4.32Å
605	C	82.6	Confident	73.2	Confident	27 Å²	27	67.9 Å²	67.9	18%	0.182	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-97.2	158	178.9	-56.4	0	0	0	0	111.4	Q592 Y609 L611 C618	Q592-C605 VanDerWaalsContact OE1-CA 3.31Å; C605-Y609 WeakPolarHBondContact CB-O 3.25Å; C605-L611 VanDerWaalsContact SG-CA 3.51Å; C605-C618 WeakPolarHBondContact CA-SG 3.21Å; C605-C618 HydrophobicContact CB-CB 3.81Å; C605-C618 WeakPolarHBondContact CB-SG 3.44Å; C605-C618 WeakPolarHBondContact SG-CA 3.41Å; C605-C618 WeakPolarHBondContact SG-CB 3.39Å; C605-C618 CovalentContact SG-SG 2.04Å; C605-C618 PolarHBondContact SG-SG 2.9Å
606	D	73.8	Confident	73.1	Confident	79 Å²	79	70 Å²	70	42%	0.422	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-76.4	153.4	172.7	-66.8	-37.4	0	0	0	110.4	G608 Y609	D606-G608 PolarHBondContact O-N 3.42Å; D606-Y609 PolarHBondContact O-N 3.2Å; D606-Y609 VanDerWaalsContact O-N 3.1Å
607	P	64.8	Low	73.5	Confident	135 Å²	135	70.4 Å²	70.4	88%	0.877	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	125.5	-174.4	-28	36	0	0	0	113.8
608	G	57.1	Low	73.9	Confident	41 Å²	41	68.2 Å²	68.2	42%	0.423	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.5	-7.9	-174.6	0	0	0	0	0	114.3	D606 N621	D606-G608 PolarHBondContact O-N 3.42Å; G608-N621 PolarHBondContact O-N 3.33Å
609	Y	67.3	Low	74.3	Confident	118 Å²	118	71.5 Å²	71.5	46%	0.463	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.9	173.4	-65.6	-99.9	0	0	0	110.6	C605 D606 C618 E619	C605-Y609 WeakPolarHBondContact CB-O 3.25Å; D606-Y609 PolarHBondContact O-N 3.2Å; D606-Y609 VanDerWaalsContact O-N 3.1Å; Y609-C618 HydrophobicContact CD1-CB 4.32Å; Y609-C618 WeakPolarHBondContact CD1-O 3.41Å; Y609-C618 HydrophobicContact CG-CB 4.48Å; Y609-E619 CarbonylContact C-O 3.57Å; Y609-E619 VanDerWaalsContact CA-O 3.25Å; Y609-E619 WeakPolarHBondContact CA-O 3.27Å
610	E	68	Low	73.9	Confident	123 Å²	123	71.6 Å²	71.6	58%	0.575	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	150.7	168.9	-83.5	177.5	-151.9	0	0	110.9	A612 C618 E619 N621	E610-A612 PolarHBondContact O-N 2.9Å; E610-C618 CarbonylContact O-C 3.51Å; E610-C618 WeakPolarHBondContact O-CA 3.44Å; E610-E619 PolarHBondContact N-O 3.11Å; E610-E619 PolarHBondContact O-N 2.91Å; E610-N621 WeakPolarHBondContact CB-OD1 3.41Å; E610-N621 WeakPolarHBondContact CG-OD1 3.49Å; E610-N621 PolarHBondContact OE1-ND2 3.17Å
611	L	78.1	Confident	72.9	Confident	70 Å²	70	70.8 Å²	70.8	37%	0.366	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.9	179.1	-169.1	74.1	0	0	0	109.2	C603 C605 K615	C603-L611 HydrophobicContact CB-CD1 3.84Å; C605-L611 VanDerWaalsContact SG-CA 3.51Å; L611-K615 HydrophobicContact CD2-CB 4.1Å; L611-K615 HydrophobicContact CD2-CG 4.4Å
612	A	74.1	Confident	71.4	Confident	8 Å²	8	75.5 Å²	75.5	7%	0.066	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-64.1	164.9	-177.3	0	0	0	0	0	111.9	E610 D614 K615 S617 E619	E610-A612 PolarHBondContact O-N 2.9Å; A612-D614 PolarHBondContact O-N 2.89Å; A612-D614 VanDerWaalsContact O-N 3.07Å; A612-K615 WeakPolarHBondContact O-CA 3.09Å; A612-K615 PolarHBondContact O-N 2.97Å; A612-S617 WeakPolarHBondContact CB-O 3.3Å; A612-S617 PolarHBondContact N-O 2.77Å; A612-E619 HydrophobicContact CB-CG 4.07Å
613	P	74.6	Confident	69.6	Low	106 Å²	106	78.7 Å²	78.7	69%	0.688	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.9	-178.9	-27.9	36.5	0	0	0	114.7	K615	P613-K615 PolarHBondContact O-N 2.84Å
614	D	77.1	Confident	67.4	Low	72 Å²	72	83.2 Å²	83.2	39%	0.385	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.6	175.2	76.2	-8.5	0	0	0	114.2	A612 K616 S617	A612-D614 PolarHBondContact O-N 2.89Å; A612-D614 VanDerWaalsContact O-N 3.07Å; D614-K616 PolarHBondContact O-N 3.26Å; D614-K616 PolarHBondContact OD1-N 3.32Å; D614-S617 PolarHBondContact OD1-N 2.92Å; D614-S617 VanDerWaalsContact OD2-CB 3.32Å; D614-S617 WeakPolarHBondContact OD2-CB 3.48Å; D614-S617 PolarHBondContact OD2-N 3.44Å; D614-S617 PolarHBondContact OD2-OG 2.84Å
615	K	75.8	Confident	65.4	Low	153 Å²	153	88.9 Å²	88.9	67%	0.665	48%	0.48	S	S	*	.	S	Bend	trans	58.9	25.1	-177.4	-60.4	167.2	-170.4	166.2	0	114.2	C603 L611 A612 P613	C603-K615 WeakPolarHBondContact CB-O 3.48Å; C603-K615 PolarHBondContact SG-O 2.85Å; L611-K615 HydrophobicContact CD2-CB 4.1Å; L611-K615 HydrophobicContact CD2-CG 4.4Å; A612-K615 WeakPolarHBondContact O-CA 3.09Å; A612-K615 PolarHBondContact O-N 2.97Å; P613-K615 PolarHBondContact O-N 2.84Å
616	K	77.9	Confident	62.9	Low	81 Å²	81	95.4 Å²	95.4	35%	0.352	51%	0.508	S	S	.	.	S	Bend	trans	-136.5	-41.3	-178.1	-71.1	-166	171.4	-137.7	0	114.1	G588 E591 D614	G588-K616 PolarHBondContact O-NZ 2.9Å; E591-K616 PolarHBondContact N-O 2.87Å; D614-K616 PolarHBondContact O-N 3.26Å; D614-K616 PolarHBondContact OD1-N 3.32Å
617	S	82.8	Confident	60.7	Low	44 Å²	44	97.2 Å²	97.2	31%	0.308	52%	0.522	S	S	.	.	S	Bend	trans	-84.5	160.2	177	-53	0	0	0	0	111	E591 A612 D614	E591-S617 WeakPolarHBondContact OE2-CA 3.46Å; A612-S617 WeakPolarHBondContact CB-O 3.3Å; A612-S617 PolarHBondContact N-O 2.77Å; D614-S617 PolarHBondContact OD1-N 2.92Å; D614-S617 VanDerWaalsContact OD2-CB 3.32Å; D614-S617 WeakPolarHBondContact OD2-CB 3.48Å; D614-S617 PolarHBondContact OD2-N 3.44Å; D614-S617 PolarHBondContact OD2-OG 2.84Å
618	C	81.1	Confident	58.7	Low	8 Å²	8	95.6 Å²	95.6	5%	0.054	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	106	-175	-72.8	0	0	0	0	110.5	E591 Q592 C605 Y609 E610	E591-C618 PolarHBondContact OE2-N 3.23Å; Q592-C618 HydrophobicContact CG-CB 4Å; Q592-C618 PolarHBondContact OE1-SG 3.27Å; C605-C618 WeakPolarHBondContact CA-SG 3.21Å; C605-C618 HydrophobicContact CB-CB 3.81Å; C605-C618 WeakPolarHBondContact CB-SG 3.44Å; C605-C618 WeakPolarHBondContact SG-CA 3.41Å; C605-C618 WeakPolarHBondContact SG-CB 3.39Å; C605-C618 CovalentContact SG-SG 2.04Å; C605-C618 PolarHBondContact SG-SG 2.9Å; Y609-C618 HydrophobicContact CD1-CB 4.32Å; Y609-C618 WeakPolarHBondContact CD1-O 3.41Å; Y609-C618 HydrophobicContact CG-CB 4.48Å; E610-C618 CarbonylContact O-C 3.51Å; E610-C618 WeakPolarHBondContact O-CA 3.44Å
619	E	75.6	Confident	57.3	Low	125 Å²	125	98.3 Å²	98.3	58%	0.584	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	135.3	-179.3	-75.9	-175.1	-142.6	0	0	111.1	Y609 E610 A612	Y609-E619 CarbonylContact C-O 3.57Å; Y609-E619 VanDerWaalsContact CA-O 3.25Å; Y609-E619 WeakPolarHBondContact CA-O 3.27Å; E610-E619 PolarHBondContact N-O 3.11Å; E610-E619 PolarHBondContact O-N 2.91Å; A612-E619 HydrophobicContact CB-CG 4.07Å
620	G	53.8	Low	55.5	Low	44 Å²	44	100.3 Å²	100.3	45%	0.454	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.5	-175.4	0	0	0	0	0	112.7	N622	G620-N622 PolarHBondContact O-N 3.07Å
621	N	49.4	Very low	53.5	Low	43 Å²	43	102 Å²	102	23%	0.23	56%	0.562	C	S	.	*			trans	-68.1	102.1	-178.2	-82.1	25.5	0	0	0	111.9	G608 E610 E623 N624	G608-N621 PolarHBondContact O-N 3.33Å; E610-N621 WeakPolarHBondContact CB-OD1 3.41Å; E610-N621 WeakPolarHBondContact CG-OD1 3.49Å; E610-N621 PolarHBondContact OE1-ND2 3.17Å; N621-E623 PolarHBondContact O-N 3.3Å; N621-E623 VanDerWaalsContact O-N 3.08Å; N621-N624 HydrophobicContact CB-CB 4.2Å; N621-N624 PolarHBondContact O-N 2.93Å
622	N	46.5	Very low	51	Low	147 Å²	147	103.7 Å²	103.7	79%	0.786	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-11.5	173.8	-88.6	-55.9	0	0	0	114.2	G620	G620-N622 PolarHBondContact O-N 3.07Å
623	E	42.7	Very low	48.6	Very low	193 Å²	193	109.3 Å²	109.3	90%	0.902	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-15.4	172.8	-57.5	-141.5	132.8	0	0	113.6	N621	N621-E623 PolarHBondContact O-N 3.3Å; N621-E623 VanDerWaalsContact O-N 3.08Å
624	N	33.8	Very low	46.2	Very low	106 Å²	106	111.4 Å²	111.4	57%	0.567	62%	0.622	S	S	*	*			trans	-111.1	51	-178.3	-91.2	-30	0	0	0	113.6	N621 Q626	N621-N624 HydrophobicContact CB-CB 4.2Å; N621-N624 PolarHBondContact O-N 2.93Å; N624-Q626 PolarHBondContact O-N 2.95Å
625	I	37.3	Very low	43.7	Very low	144 Å²	144	115.2 Å²	115.2	74%	0.738	64%	0.641	S	S	*	*			trans	-75.3	75.8	166.4	-52.1	-178.6	0	0	0	109.9
626	Q	30.1	Very low	41.5	Very low	163 Å²	163	113.9 Å²	113.9	76%	0.762	65%	0.645	S	S	*	*			trans	-118.1	92.8	166.2	-70	-156.9	15.2	0	0	111.9	N624	N624-Q626 PolarHBondContact O-N 2.95Å
627	T	26.3	Very low	39	Very low	117 Å²	117	115.4 Å²	115.4	72%	0.718	67%	0.666	S	S	*	*			trans	41	85.4	148	51	0	0	0	0	118.1	S629	T627-S629 PolarHBondContact O-N 2.96Å
628	A	24.4	Very low	36.5	Very low	102 Å²	102	116.7 Å²	116.7	84%	0.843	69%	0.687	S	S	*	*			trans	-59.7	102.7	157.5	0	0	0	0	0	110.4	I630	A628-I630 PolarHBondContact O-N 3.17Å
629	S	26.2	Very low	33.9	Very low	97 Å²	97	125.8 Å²	125.8	68%	0.678	73%	0.725	S	S	*	*			trans	-83.8	100.1	179.6	-69.9	0	0	0	0	111	T627 N631	T627-S629 PolarHBondContact O-N 2.96Å; S629-N631 PolarHBondContact O-N 2.94Å
630	I	29.3	Very low	31.5	Very low	161 Å²	161	125.6 Å²	125.6	83%	0.826	73%	0.733	S	S	*	*			trans	-70.3	93.3	173.3	-55.8	175.4	0	0	0	109.2	A628	A628-I630 PolarHBondContact O-N 3.17Å
631	N	26.5	Very low	30.3	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	75%	0.75	S	S	*	*			trans	-126.1	77	177	-96.6	-18.9	0	0	0	112	S629	S629-N631 PolarHBondContact O-N 2.94Å
632	S	25.9	Very low	29.1	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	78%	0.781	S	S	*	*			trans	-143.1	44.7	170.1	57.4	0	0	0	0	113.7
633	C	23.3	Very low	28.1	Very low	126 Å²	126	139.3 Å²	139.3	85%	0.851	77%	0.774	S	S	*	*			trans	-97.6	82	163.9	-86.9	0	0	0	0	110.7	I635	C633-I635 PolarHBondContact O-N 2.96Å
634	I	25	Very low	27.3	Very low	150 Å²	150	136.2 Å²	136.2	77%	0.769	76%	0.763	S	S	*	*			trans	-69.6	110.8	172.8	-59.7	175.2	0	0	0	109.2	T636	I634-T636 HydrophobicContact CG2-CG2 3.89Å
635	I	23.6	Very low	27.1	Very low	153 Å²	153	142 Å²	142	79%	0.785	78%	0.779	S	S	*	*			trans	-106	104.7	165.3	-60.7	-179.6	0	0	0	108.1	C633 S637	C633-I635 PolarHBondContact O-N 2.96Å; I635-S637 PolarHBondContact O-N 2.77Å
636	T	29.4	Very low	26.5	Very low	125 Å²	125	142.6 Å²	142.6	77%	0.767	78%	0.782	S	S	*	*			trans	-82	101.3	177.4	45.1	0	0	0	0	112.1	I634	I634-T636 HydrophobicContact CG2-CG2 3.89Å
637	S	26.5	Very low	26.3	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	78%	0.784	S	S	*	*			trans	-165.2	130.5	143.6	35.9	0	0	0	0	110.6	I635	I635-S637 PolarHBondContact O-N 2.77Å
638	G	29.8	Very low	26.2	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	79%	0.792	S	S	*	*			trans	-84.5	150	-168.1	0	0	0	0	0	114.9
639	K	27.3	Very low	26.3	Very low	198 Å²	198	147.3 Å²	147.3	86%	0.861	79%	0.79	S	S	*	*				172.5	132.1	124.7	-93.7	168.1	-176.7	-175.4	0	112.6
640	T	25.4	Very low	26.3	Very low	122 Å²	122	152 Å²	152	75%	0.748	80%	0.798	S	S	*	*			trans	59.7	116.7	151.5	51	0	0	0	0	121.6
641	F	26.8	Very low	26.2	Very low	186 Å²	186	150.4 Å²	150.4	82%	0.816	80%	0.795	S	S	*	*			trans	42.9	116.1	140.9	-74.4	-91.6	0	0	0	120.4
642	F	24.9	Very low	26.3	Very low	201 Å²	201	150.3 Å²	150.3	88%	0.882	79%	0.794	S	S	*	*				-165.6	-170	95.7	-116.9	-83.4	0	0	0	111
643	Q	26.2	Very low	26.5	Very low	134 Å²	134	154.8 Å²	154.8	63%	0.626	80%	0.8	S	S	*	*			trans	-124.1	153.6	-152	-178.1	170.6	-1.8	0	0	114.1	Y645	Q643-Y645 WeakPolarHBondContact O-CE2 3.43Å
644	D	25.3	Very low	27	Very low	128 Å²	128	154.8 Å²	154.8	68%	0.684	80%	0.796	S	S	*	*			trans	23.1	124.9	162.9	-49.8	-30.4	0	0	0	121.4
645	Y	29.4	Very low	27.2	Very low	227 Å²	227	152.7 Å²	152.7	89%	0.89	79%	0.791	S	S	*	*			trans	-140.9	133.6	161.1	-70.1	-83.5	0	0	0	112.1	Q643	Q643-Y645 WeakPolarHBondContact O-CE2 3.43Å
646	I	25.8	Very low	27.5	Very low	158 Å²	158	152.5 Å²	152.5	81%	0.81	80%	0.797	S	S	*	*			trans	-108.8	134.9	-179	-63.2	169.6	0	0	0	110.2	M648	I646-M648 HydrophobicContact CG2-CG 4.48Å
647	C	25.3	Very low	27.5	Very low	119 Å²	119	155 Å²	155	80%	0.804	79%	0.794	S	S	*	*			trans	-118.8	113	170.5	-77.7	0	0	0	0	110.4
648	M	24.2	Very low	27.7	Very low	181 Å²	181	156.7 Å²	156.7	89%	0.892	79%	0.793	S	S	*	*			trans	-85.5	129.2	173.2	-68.8	-153.1	-63.4	0	0	111.8	I646	I646-M648 HydrophobicContact CG2-CG 4.48Å
649	F	26.2	Very low	27.6	Very low	181 Å²	181	158.4 Å²	158.4	79%	0.794	79%	0.789	S	S	*	*			trans	-84.9	140.6	165.6	-89.9	-94.5	0	0	0	111.1
650	K	25.8	Very low	27.6	Very low	194 Å²	194	154.3 Å²	154.3	84%	0.843	78%	0.784	S	S	*	*			trans	-133.8	105.5	166.7	-169.8	170.8	-173	171.6	0	109.3
651	V	27.6	Very low	27.7	Very low	128 Å²	128	157.8 Å²	157.8	78%	0.776	79%	0.789	S	S	*	*			trans	-81.1	125.4	-177.4	-178.4	0	0	0	0	110.1
652	L	27.9	Very low	27.7	Very low	156 Å²	156	154.2 Å²	154.2	82%	0.817	79%	0.785	S	S	*	*			trans	-116.7	150.3	159.1	-87.2	167.1	0	0	0	108.6
653	K	31.2	Very low	27.8	Very low	199 Å²	199	155.4 Å²	155.4	87%	0.865	78%	0.784	S	S	*	*	S	Bend	trans	-67.9	142.8	-166.1	-67.4	-176.9	174.8	-177.7	0	112.6
654	V	32.6	Very low	27.9	Very low	127 Å²	127	154.6 Å²	154.6	77%	0.77	78%	0.784	S	S	*	*	S	Bend	trans	77.3	130.1	171.3	-168.2	0	0	0	0	115.9
655	T	29.5	Very low	28	Very low	106 Å²	106	157.7 Å²	157.7	65%	0.65	79%	0.791	S	S	*	*			trans	59.1	103.7	174.6	39.2	0	0	0	0	117.6	Y657	T655-Y657 WeakPolarHBondContact O-CD2 3.02Å; T655-Y657 PolarHBondContact O-N 2.78Å
656	T	30.4	Very low	27.9	Very low	149 Å²	149	154.2 Å²	154.2	91%	0.914	78%	0.781	S	S	*	*			trans	-67.1	123.2	173.9	-39.4	0	0	0	0	112.2
657	Y	30.2	Very low	28	Very low	178 Å²	178	158.6 Å²	158.6	70%	0.698	79%	0.789	S	S	*	*			trans	-126.7	128.4	165.4	-72.7	-90.6	0	0	0	108.9	T655	T655-Y657 WeakPolarHBondContact O-CD2 3.02Å; T655-Y657 PolarHBondContact O-N 2.78Å
658	L	29.3	Very low	28.2	Very low	147 Å²	147	155.5 Å²	155.5	77%	0.77	78%	0.778	S	S	*	*			trans	-93	121.2	173.5	-166.8	79.3	0	0	0	109.4
659	V	28.5	Very low	28.4	Very low	108 Å²	108	158.3 Å²	158.3	66%	0.655	78%	0.778	S	S	*	*			trans	-130.3	98.8	177.5	-177	0	0	0	0	109.5	F661	V659-F661 HydrophobicContact CG1-CD2 4.08Å; V659-F661 HydrophobicContact CG1-CE2 3.83Å
660	C	27.9	Very low	28.5	Very low	111 Å²	111	157.4 Å²	157.4	75%	0.75	78%	0.781	S	S	*	*			trans	-87.9	114.3	174.5	-65.9	0	0	0	0	110.6	C662	C660-C662 PolarHBondContact O-N 3.4Å
661	F	27.3	Very low	28.5	Very low	195 Å²	195	155.4 Å²	155.4	86%	0.855	78%	0.779	S	S	*	*			trans	-85	106.5	169	-87.1	-85.5	0	0	0	110.6	V659	V659-F661 HydrophobicContact CG1-CD2 4.08Å; V659-F661 HydrophobicContact CG1-CE2 3.83Å
662	C	26.9	Very low	28.5	Very low	111 Å²	111	156.3 Å²	156.3	75%	0.75	79%	0.785	S	S	*	*			trans	-89.9	107.5	175.1	-150.9	0	0	0	0	110.2	C660 L664	C660-C662 PolarHBondContact O-N 3.4Å; C662-L664 PolarHBondContact O-N 3.42Å
663	R	26.9	Very low	28.4	Very low	226 Å²	226	156.3 Å²	156.3	85%	0.853	78%	0.784	S	S	*	*			trans	-91.5	72.3	-179.1	-161.9	179.9	-168.8	-176.8	4.2	111.8	F665	R663-F665 PolarHBondContact O-N 3.11Å
664	L	28.3	Very low	28.1	Very low	118 Å²	118	152.3 Å²	152.3	62%	0.618	78%	0.78	S	S	*	*			trans	-68.3	117.1	176.3	-82.7	158.5	0	0	0	112.1	C662 F666	C662-L664 PolarHBondContact O-N 3.42Å; L664-F666 HydrophobicContact CB-CD2 3.89Å; L664-F666 HydrophobicContact CB-CE2 3.8Å; L664-F666 HydrophobicContact CD1-CE2 3.84Å; L664-F666 HydrophobicContact CD1-CZ 4.33Å; L664-F666 HydrophobicContact CG-CE2 4.27Å; L664-F666 PolarHBondContact O-N 3.03Å
665	F	27	Very low	27.7	Very low	192 Å²	192	155.7 Å²	155.7	84%	0.842	79%	0.787	S	S	*	*			trans	-81.9	102.3	159.8	-99.3	-85.3	0	0	0	109.2	R663	R663-F665 PolarHBondContact O-N 3.11Å
666	F	27.5	Very low	27.5	Very low	155 Å²	155	156.5 Å²	156.5	68%	0.68	79%	0.792	S	S	*	*			trans	-85	128.8	173.8	-88.7	-88	0	0	0	112	L664	L664-F666 HydrophobicContact CB-CD2 3.89Å; L664-F666 HydrophobicContact CB-CE2 3.8Å; L664-F666 HydrophobicContact CD1-CE2 3.84Å; L664-F666 HydrophobicContact CD1-CZ 4.33Å; L664-F666 HydrophobicContact CG-CE2 4.27Å; L664-F666 PolarHBondContact O-N 3.03Å
667	Y	26.8	Very low	27.3	Very low	250 Å²	250	152.9 Å²	152.9	98%	0.98	78%	0.784	S	S	*	*			trans	-106.2	97.3	149.6	-107	-88.5	0	0	0	108.1
668	G	29.4	Very low	27	Very low	54 Å²	54	152.8 Å²	152.8	56%	0.557	79%	0.787	S	S	*	*	S	Bend	trans	136.8	120.4	175.1	0	0	0	0	0	114.7
669	R	29.8	Very low	26.7	Very low	240 Å²	240	153.7 Å²	153.7	91%	0.906	79%	0.791	S	S	*	*			trans	-55.6	132.8	177.1	-54.2	167.8	172.1	172	-4.7	111.2
670	L	28.7	Very low	26.5	Very low	162 Å²	162	158.2 Å²	158.2	85%	0.848	80%	0.802	S	S	*	*				-178.6	163.5	79	-106.6	135.7	0	0	0	111.3
671	N	25.7	Very low	26.4	Very low	152 Å²	152	160.5 Å²	160.5	81%	0.813	81%	0.805	S	S	*	*			trans	-95.4	148.3	-173.5	-49.4	-44.2	0	0	0	114.4
672	V	26.7	Very low	26.2	Very low	147 Å²	147	162.9 Å²	162.9	89%	0.891	81%	0.809	S	S	*	*			trans	-143.9	157.1	139.6	177.9	0	0	0	0	108.6
673	I	27	Very low	26.2	Very low	155 Å²	155	163 Å²	163	80%	0.795	81%	0.81	S	S	*	*			trans	-98.6	155.1	-168.9	-67.5	158.9	0	0	0	112.2
674	C	24.1	Very low	26.1	Very low	116 Å²	116	164.1 Å²	164.1	78%	0.784	82%	0.815	S	S	*	*			trans	-94.7	150.4	172.1	-55.6	0	0	0	0	112.8
675	E	24.2	Very low	26	Very low	197 Å²	197	164.8 Å²	164.8	92%	0.921	82%	0.824	S	S	*	*			trans	-116.9	164.4	159.3	-75.7	-160.3	138.8	0	0	111.3
676	V	25.5	Very low	25.8	Very low	123 Å²	123	165 Å²	165	75%	0.745	83%	0.827	S	S	*	*			trans	-128.2	140.7	-165.8	179.7	0	0	0	0	111.2	F678	V676-F678 HydrophobicContact CG1-CD2 4.01Å; V676-F678 HydrophobicContact CG1-CE2 3.62Å; V676-F678 HydrophobicContact CG1-CZ 4.31Å
677	G	24.8	Very low	25.6	Very low	73 Å²	73	167.4 Å²	167.4	75%	0.753	83%	0.832	S	S	*	*			trans	-138.5	136.3	170.7	0	0	0	0	0	112
678	F	24.3	Very low	25.4	Very low	176 Å²	176	163.9 Å²	163.9	77%	0.772	82%	0.822	S	S	*	*			trans	-113.1	145.7	178.3	-73.6	-88.2	0	0	0	111.3	V676	V676-F678 HydrophobicContact CG1-CD2 4.01Å; V676-F678 HydrophobicContact CG1-CE2 3.62Å; V676-F678 HydrophobicContact CG1-CZ 4.31Å
679	I	24.1	Very low	25.7	Very low	166 Å²	166	166.7 Å²	166.7	85%	0.851	83%	0.83	S	S	*	*			trans	-128.1	146.4	171.9	-63.8	179.9	0	0	0	109.2
680	K	23.1	Very low	25.5	Very low	203 Å²	203	162.8 Å²	162.8	88%	0.883	83%	0.827	S	S	*	*			trans	-129.4	131	-172	-176.9	178	-174.6	172.3	0	110.2
681	I	25.8	Very low	25.2	Very low	159 Å²	159	163.4 Å²	163.4	82%	0.815	83%	0.83	S	S	*	*			trans	-120.1	155	-179.2	-58.7	-178.8	0	0	0	109.8
682	R	23.1	Very low	25.3	Very low	245 Å²	245	161.2 Å²	161.2	93%	0.925	83%	0.826	S	S	*	*			trans	-126.9	154.2	-172	-139	177	-174.1	175	0.2	110.4
683	S	27.9	Very low	25.1	Very low	113 Å²	113	160 Å²	160	79%	0.79	82%	0.819	S	S	*	*			trans	-90.2	155	-170.1	50.6	0	0	0	0	115.3
684	R	24	Very low	24.8	Very low	251 Å²	251	161.4 Å²	161.4	95%	0.947	82%	0.819	S	S	*	*			trans	-162.3	167.5	147.7	-117.8	179.1	-176.7	-171.2	-0.4	112
685	V	26.5	Very low	24.7	Very low	132 Å²	132	166.3 Å²	166.3	80%	0.8	82%	0.823	S	S	*	*			trans	-136	143.4	-168.4	174	0	0	0	0	110.5
686	Q	22.3	Very low	24.6	Very low	197 Å²	197	164.1 Å²	164.1	92%	0.921	82%	0.816	S	S	*	*			trans	-163	166	155.3	-115.3	166.4	-17.6	0	0	111.7
687	R	23.4	Very low	24.5	Very low	204 Å²	204	165.7 Å²	165.7	77%	0.77	82%	0.816	S	S	*	*			trans	-123	165.8	-171.4	-79.1	-174.2	171.5	179.2	-3.8	113.2
688	F	22.7	Very low	24.5	Very low	177 Å²	177	172.1 Å²	172.1	78%	0.776	82%	0.823	S	S	*	*			trans	74.1	159.2	158.7	-57.8	-60.1	0	0	0	118.3
689	P	35.6	Very low	24.6	Very low	113 Å²	113	169.5 Å²	169.5	73%	0.734	82%	0.817	S	S	*	*			cis	-135	174.7	-41.6	37.9	-22.5	0	0	0	113.9
690	N	25.7	Very low	24.5	Very low	157 Å²	157	170.7 Å²	170.7	84%	0.84	82%	0.821	S	S	*	*			trans	24.8	108.1	160.3	-69.7	-0.3	0	0	0	120.3
691	I	23.1	Very low	24.5	Very low	176 Å²	176	170.4 Å²	170.4	90%	0.903	82%	0.816	S	S	*	*			trans	-158.7	141	141.4	-105.4	153.7	0	0	0	108.9
692	S	26.9	Very low	24.5	Very low	105 Å²	105	172.8 Å²	172.8	73%	0.734	82%	0.821	S	S	*	*			trans	-108.1	146.7	166.8	58.4	0	0	0	0	109.5
693	V	22.4	Very low	24.5	Very low	122 Å²	122	170.2 Å²	170.2	74%	0.739	82%	0.816	S	S	*	*			trans	165	131.2	151.1	146.9	0	0	0	0	113.8
694	K	21.2	Very low	24.3	Very low	184 Å²	184	171.4 Å²	171.4	80%	0.8	82%	0.823	S	S	*	*			trans	59	129.8	154.9	-73.1	166.9	-165.6	172.2	0	122.8
695	Y	23.1	Very low	24.2	Very low	220 Å²	220	164.3 Å²	164.3	86%	0.863	81%	0.812	S	S	*	*				12.5	131.3	121.4	-85.8	-101	0	0	0	118.6
696	L	21.9	Very low	24	Very low	150 Å²	150	166.7 Å²	166.7	79%	0.785	81%	0.811	S	S	*	*				-168	142.2	116.5	-102.4	163.5	0	0	0	114
697	E	22.7	Very low	24.1	Very low	157 Å²	157	163 Å²	163	73%	0.734	80%	0.803	S	S	*	*			trans	27.2	121.1	156.1	-72.6	171.7	-171.8	0	0	123.5
698	K	25.6	Very low	24.2	Very low	208 Å²	208	157 Å²	157	90%	0.904	81%	0.805	S	S	*	*			trans	-74	131.8	141	-80.4	-179.4	175	175.4	0	109.4
699	N	25.1	Very low	24.3	Very low	120 Å²	120	159.8 Å²	159.8	64%	0.642	81%	0.81	S	S	*	*			trans	-157.5	103.2	157.7	-116.1	-34.9	0	0	0	113.8
700	M	22.4	Very low	23.7	Very low	191 Å²	191	162 Å²	162	94%	0.941	81%	0.814	S	S	*	*			trans	-155.4	101.2	148.1	-138	179.2	73.7	0	0	111.5
701	Y	24.2	Very low	23.6	Very low	198 Å²	198	160.6 Å²	160.6	78%	0.776	81%	0.812	S	S	*	*			trans	-86.6	142.4	172.8	-85.3	-95.1	0	0	0	111.6
702	K	24	Very low	23.7	Very low	209 Å²	209	159 Å²	159	91%	0.909	81%	0.805	S	S	*	*			trans	-134.1	147	139.1	-84.3	-169.2	175.5	175.1	0	109.9
703	K	24.4	Very low	23.5	Very low	190 Å²	190	160.9 Å²	160.9	83%	0.826	81%	0.811	S	S	*	*			trans	-99.6	153.2	-164.5	-65.3	175.2	174.2	176.8	0	113.2
704	C	22.8	Very low	23.5	Very low	138 Å²	138	164.4 Å²	164.4	93%	0.932	81%	0.811	S	S	*	*				-137.2	173.8	128.9	-95.7	0	0	0	0	108.9
705	S	22.6	Very low	23.5	Very low	102 Å²	102	163.5 Å²	163.5	71%	0.713	81%	0.808	S	S	*	*			trans	-147.7	-176.2	-158.6	-171.8	0	0	0	0	112.9
706	F	21.5	Very low	23.5	Very low	182 Å²	182	159.5 Å²	159.5	80%	0.798	80%	0.801	S	S	*	*			trans	82.9	137.3	175.1	-72.6	-104.2	0	0	0	116.6
707	T	24.3	Very low	23.8	Very low	121 Å²	121	156.9 Å²	156.9	74%	0.742	80%	0.796	S	S	*	*			cis	-162.6	142.9	-15.9	4.6	0	0	0	0	112.6
708	G	25.2	Very low	23.9	Very low	78 Å²	78	155.2 Å²	155.2	80%	0.804	80%	0.801	S	S	*	*			trans	73.5	161.5	158.7	0	0	0	0	0	116.6
709	R	24.8	Very low	24	Very low	234 Å²	234	154 Å²	154	88%	0.883	80%	0.798	S	S	*	*			cis	-152.1	114.7	-6.6	-177.4	-175.3	-166.3	172.7	4.7	108.1
710	L	23.8	Very low	23.9	Very low	159 Å²	159	155 Å²	155	83%	0.832	81%	0.809	S	S	*	*			trans	-77.6	149	173.9	-124.2	87.8	0	0	0	110.8
711	T	24.7	Very low	24.3	Very low	129 Å²	129	151.2 Å²	151.2	79%	0.791	80%	0.801	S	S	*	*			trans	-132.8	131.4	162.8	-55.9	0	0	0	0	108.2
712	L	24.3	Very low	24.5	Very low	143 Å²	143	148 Å²	148	75%	0.749	80%	0.803	S	S	*	*			trans	-99.9	142.7	-178	-92.5	155.8	0	0	0	111.1
713	V	23	Very low	25	Very low	144 Å²	144	147.9 Å²	147.9	87%	0.873	80%	0.802	S	S	*	*			trans	-126.7	149.3	150.6	-176.5	0	0	0	0	106.9
714	R	22.7	Very low	25.2	Very low	196 Å²	196	144 Å²	144	74%	0.74	80%	0.796	S	S	*	*			trans	-149.4	168.9	-165.2	-167.6	179.9	-173.1	176.8	3.1	109.4
715	F	21.1	Very low	25.8	Very low	164 Å²	164	146.7 Å²	146.7	72%	0.719	80%	0.795	S	S	*	*			trans	81.4	146.6	175.6	-57.2	-81.9	0	0	0	114.5
716	D	22.2	Very low	26.1	Very low	137 Å²	137	147.6 Å²	147.6	73%	0.733	80%	0.796	S	S	*	*			cis	-141.9	-179.3	-1.3	-138.4	-32.2	0	0	0	114.4
717	S	27.7	Very low	26.7	Very low	95 Å²	95	142.3 Å²	142.3	66%	0.664	78%	0.782	S	S	*	*			trans	-114.6	151.7	-177.2	60.7	0	0	0	0	111.9
718	S	24.7	Very low	27.2	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	79%	0.787	S	S	*	*			trans	-170.4	165.3	148	18.1	0	0	0	0	112.4
719	H	27.8	Very low	27.6	Very low	181 Å²	181	148 Å²	148	84%	0.838	78%	0.782	S	S	*	*			trans	-61.1	168.4	-177	-57.3	-37.3	0	0	0	114
720	T	23.8	Very low	28.4	Very low	142 Å²	142	143.9 Å²	143.9	87%	0.871	78%	0.775	S	S	*	*			cis	-153	172.8	36.8	-10.1	0	0	0	0	114.4
721	S	31.9	Very low	29.4	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	77%	0.772	S	S	*	*			trans	-82.2	126.6	-179.6	152.6	0	0	0	0	114.3
722	T	26.5	Very low	30.3	Very low	132 Å²	132	138.5 Å²	138.5	81%	0.81	75%	0.747	S	S	*	*			trans	-143.3	137.5	141.7	36.4	0	0	0	0	110
723	K	34.7	Very low	32.1	Very low	205 Å²	205	138.2 Å²	138.2	89%	0.891	74%	0.74	S	S	*	*			trans	-84.2	140.6	161.5	-79	-170.3	175.9	-172.9	0	109.3
724	P	30.3	Very low	34.5	Very low	109 Å²	109	135.1 Å²	135.1	71%	0.708	72%	0.718	S	S	*	*			trans	-115.3	172.8	133	35	-29.9	0	0	0	110.8
725	H	34.3	Very low	37.4	Very low	194 Å²	194	127.7 Å²	127.7	90%	0.898	69%	0.692	S	S	*	*			trans	-63.2	136.1	166.4	-87.2	-118.5	0	0	0	110
726	V	28.9	Very low	40.3	Very low	121 Å²	121	121 Å²	121	73%	0.733	67%	0.665	S	S	*	*			trans	-107.6	116.3	157.2	177.5	0	0	0	0	105.8
727	S	34.4	Very low	43.1	Very low	72 Å²	72	118.4 Å²	118.4	50%	0.503	66%	0.658	S	S	.	*			trans	-60.1	137.8	166.7	40.9	0	0	0	0	109.1	F729	S727-F729 WeakPolarHBondContact O-CD2 3.38Å; S727-F729 PolarHBondContact O-N 3.03Å; S727-F729 WeakPolarHBondContact OG-CE2 3.41Å
728	N	35	Very low	45.2	Very low	160 Å²	160	121.8 Å²	121.8	86%	0.856	66%	0.661	S	S	*	*			trans	-66.6	88	165.7	-82.4	0.6	0	0	0	108.3	I730	N728-I730 PolarHBondContact O-N 3.46Å; N728-I730 VanDerWaalsContact O-N 3.1Å
729	F	32.9	Very low	47.6	Very low	159 Å²	159	123.4 Å²	123.4	70%	0.697	66%	0.659	S	S	*	*			trans	-59.9	111.6	157.1	-67	-82.9	0	0	0	106.2	S727 V731	S727-F729 WeakPolarHBondContact O-CD2 3.38Å; S727-F729 PolarHBondContact O-N 3.03Å; S727-F729 WeakPolarHBondContact OG-CE2 3.41Å; F729-V731 HydrophobicContact CB-CG2 4.2Å; F729-V731 PolarHBondContact O-N 2.83Å
730	I	42.9	Very low	50.1	Low	146 Å²	146	117.6 Å²	117.6	75%	0.749	64%	0.635	S	S	*	*			trans	-66.8	91.8	160.9	-60.2	175.9	0	0	0	104.4	N728 D732	N728-I730 PolarHBondContact O-N 3.46Å; N728-I730 VanDerWaalsContact O-N 3.1Å; I730-D732 VanDerWaalsContact C-N 3.28Å; I730-D732 PolarHBondContact O-N 2.79Å
731	V	42.9	Very low	52.8	Low	124 Å²	124	111.3 Å²	111.3	75%	0.752	60%	0.598	S	S	*	*			trans	-71.9	96.8	171.3	178.8	0	0	0	0	105.2	F729 K733	F729-V731 HydrophobicContact CB-CG2 4.2Å; F729-V731 PolarHBondContact O-N 2.83Å; V731-K733 PolarHBondContact O-N 3.36Å
732	D	44.3	Very low	54.8	Low	52 Å²	52	108 Å²	108	28%	0.278	58%	0.582	S	S	.	*			trans	-52.1	128.2	172.3	-174.5	37.4	0	0	0	109.4	I730 D734 N749 G752	I730-D732 VanDerWaalsContact C-N 3.28Å; I730-D732 PolarHBondContact O-N 2.79Å; D732-D734 PolarHBondContact O-N 2.8Å; D732-N749 PolarHBondContact OD2-ND2 3.45Å; D732-G752 PolarHBondContact OD1-N 3.25Å
733	K	62.8	Low	57.5	Low	137 Å²	137	102.2 Å²	102.2	60%	0.596	55%	0.546	S	S	*	.			trans	-96.9	95.7	-174.9	174	176.3	152.7	-80	0	106.6	V731 E735	V731-K733 PolarHBondContact O-N 3.36Å; K733-E735 WeakPolarHBondContact CG-OE1 3.19Å; K733-E735 IonicContact NZ-OE1 2.78Å; K733-E735 PolarHBondContact NZ-OE1 3.26Å; K733-E735 VanDerWaalsContact O-CD 3.25Å; K733-E735 PolarHBondContact O-N 3.41Å
734	D	72.4	Confident	59.4	Low	78 Å²	78	96.7 Å²	96.7	42%	0.417	52%	0.524	S	S	.	.			trans	-52.6	99.4	175.7	-177.3	-10.3	0	0	0	110.4	D732 C736 S737 N749	D732-D734 PolarHBondContact O-N 2.8Å; D734-C736 WeakPolarHBondContact OD1-CA 3.4Å; D734-C736 WeakPolarHBondContact OD1-CB 3.4Å; D734-C736 PolarHBondContact OD1-N 2.91Å; D734-C736 VanDerWaalsContact OD1-N 3.07Å; D734-S737 WeakPolarHBondContact O-CB 3.37Å; D734-S737 PolarHBondContact O-OG 3.42Å; D734-S737 PolarHBondContact OD1-N 3.17Å; D734-N749 VanDerWaalsContact CA-OD1 3.28Å; D734-N749 WeakPolarHBondContact CA-OD1 3.39Å
735	E	84	Confident	61.7	Low	41 Å²	41	92.9 Å²	92.9	19%	0.192	50%	0.497	C	S	.	.	S	Bend	trans	-77.8	-30.3	-178.2	-97.7	105.1	-135.7	0	0	110.9	K733 S737 K738 N749 Y754	K733-E735 WeakPolarHBondContact CG-OE1 3.19Å; K733-E735 IonicContact NZ-OE1 2.78Å; K733-E735 PolarHBondContact NZ-OE1 3.26Å; K733-E735 VanDerWaalsContact O-CD 3.25Å; K733-E735 PolarHBondContact O-N 3.41Å; E735-S737 PolarHBondContact O-N 3.16Å; E735-K738 PolarHBondContact O-N 3.17Å; E735-K738 VanDerWaalsContact O-O 3.06Å; E735-N749 PolarHBondContact N-OD1 3.27Å; E735-N749 VanDerWaalsContact N-OD1 3.07Å; E735-Y754 HydrophobicContact CB-CD1 3.19Å; E735-Y754 HydrophobicContact CB-CE1 3.6Å; E735-Y754 HydrophobicContact CB-CG 3.83Å; E735-Y754 HydrophobicContact CG-CD1 3.61Å; E735-Y754 HydrophobicContact CG-CE1 3.66Å; E735-Y754 WeakPolarHBondContact OE2-CD1 3.4Å
736	C	81.7	Confident	63.9	Low	23 Å²	23	87.9 Å²	87.9	16%	0.155	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.4	174.9	-56	0	0	0	0	112.1	D734 K738 N740 C747 N749	D734-C736 WeakPolarHBondContact OD1-CA 3.4Å; D734-C736 WeakPolarHBondContact OD1-CB 3.4Å; D734-C736 PolarHBondContact OD1-N 2.91Å; D734-C736 VanDerWaalsContact OD1-N 3.07Å; C736-K738 PolarHBondContact O-N 2.82Å; C736-N740 WeakPolarHBondContact O-CA 3.47Å; C736-N740 PolarHBondContact O-N 2.76Å; C736-C747 WeakPolarHBondContact CA-SG 3.44Å; C736-C747 HydrophobicContact CB-CB 3.62Å; C736-C747 WeakPolarHBondContact CB-SG 3.41Å; C736-C747 WeakPolarHBondContact SG-CB 2.96Å; C736-C747 PolarHBondContact SG-O 2.89Å; C736-C747 CovalentContact SG-SG 2.03Å; C736-C747 PolarHBondContact SG-SG 2.82Å; C736-N749 HydrophobicContact CB-CB 4.4Å; C736-N749 PolarHBondContact SG-N 2.98Å
737	S	80.6	Confident	66.5	Low	82 Å²	82	82.9 Å²	82.9	57%	0.573	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-13.5	173.2	78.6	0	0	0	0	114.7	D734 E735	D734-S737 WeakPolarHBondContact O-CB 3.37Å; D734-S737 PolarHBondContact O-OG 3.42Å; D734-S737 PolarHBondContact OD1-N 3.17Å; E735-S737 PolarHBondContact O-N 3.16Å
738	K	71.8	Confident	68.9	Low	167 Å²	167	82.7 Å²	82.7	73%	0.726	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	118.6	173.2	-74.2	-171.7	176.3	-179.2	0	111.5	E735 C736 N740 G741	E735-K738 PolarHBondContact O-N 3.17Å; E735-K738 VanDerWaalsContact O-O 3.06Å; C736-K738 PolarHBondContact O-N 2.82Å; K738-N740 PolarHBondContact O-N 3.48Å; K738-N740 VanDerWaalsContact O-N 3.1Å; K738-G741 PolarHBondContact O-N 2.97Å
739	D	76.7	Confident	70.6	Confident	155 Å²	155	77.4 Å²	77.4	83%	0.829	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	55.1	28.8	173.2	-143.9	31.5	0	0	0	113.5	G741 G742	D739-G741 PolarHBondContact O-N 3.03Å; D739-G742 PolarHBondContact O-N 3.42Å
740	N	80.5	Confident	72.5	Confident	60 Å²	60	72.6 Å²	72.6	32%	0.321	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	53.9	33.6	-175.4	-163.5	51.1	0	0	0	112.7	C736 K738 G742 C743 C747	C736-N740 WeakPolarHBondContact O-CA 3.47Å; C736-N740 PolarHBondContact O-N 2.76Å; K738-N740 PolarHBondContact O-N 3.48Å; K738-N740 VanDerWaalsContact O-N 3.1Å; N740-G742 PolarHBondContact O-N 3.01Å; N740-G742 VanDerWaalsContact O-N 3.11Å; N740-C743 PolarHBondContact ND2-O 3.27Å; N740-C743 WeakPolarHBondContact O-CB 3.18Å; N740-C743 PolarHBondContact O-N 2.89Å; N740-C743 PolarHBondContact O-SG 2.69Å; N740-C747 VanDerWaalsContact O-CB 3.25Å; N740-C747 WeakPolarHBondContact O-CB 3.35Å; N740-C747 VanDerWaalsContact OD1-CB 3.27Å; N740-C747 WeakPolarHBondContact OD1-CB 3.2Å
741	G	79.5	Confident	73.5	Confident	9 Å²	9	72 Å²	72	9%	0.093	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	61.9	15.4	-173.3	0	0	0	0	0	114.4	K738 D739 C743 Y754 H769	K738-G741 PolarHBondContact O-N 2.97Å; D739-G741 PolarHBondContact O-N 3.03Å; G741-C743 PolarHBondContact O-N 2.99Å; G741-Y754 WeakPolarHBondContact O-CE2 3.36Å; G741-Y754 PolarHBondContact O-OH 3.09Å; G741-Y754 VanDerWaalsContact O-OH 3.09Å; G741-H769 PolarHBondContact O-CE1 3.06Å; G741-H769 PolarHBondContact O-ND1 3.02Å
742	G	74.8	Confident	74.5	Confident	43 Å²	43	68.9 Å²	68.9	44%	0.443	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	68.3	13.9	-167.8	0	0	0	0	0	113.8	D739 N740	D739-G742 PolarHBondContact O-N 3.42Å; N740-G742 PolarHBondContact O-N 3.01Å; N740-G742 VanDerWaalsContact O-N 3.11Å
743	C	81.4	Confident	75.7	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.061	39%	0.394	C	S	.	.			trans	-77.5	131.6	175.3	-54.5	0	0	0	0	110.8	N740 G741 H745 E746 C747 C756	N740-C743 PolarHBondContact ND2-O 3.27Å; N740-C743 WeakPolarHBondContact O-CB 3.18Å; N740-C743 PolarHBondContact O-N 2.89Å; N740-C743 PolarHBondContact O-SG 2.69Å; G741-C743 PolarHBondContact O-N 2.99Å; C743-H745 VanDerWaalsContact C-N 3.29Å; C743-H745 PolarHBondContact O-N 3.05Å; C743-E746 WeakPolarHBondContact CB-O 3.08Å; C743-C747 HydrophobicContact CB-CB 4.12Å; C743-C756 WeakPolarHBondContact CA-SG 3.17Å; C743-C756 HydrophobicContact CB-CB 3.5Å; C743-C756 VanDerWaalsContact CB-CB 3.5Å; C743-C756 WeakPolarHBondContact CB-SG 3.25Å; C743-C756 WeakPolarHBondContact SG-CA 3.07Å; C743-C756 WeakPolarHBondContact SG-CB 3.25Å; C743-C756 CovalentContact SG-SG 2.02Å; C743-C756 PolarHBondContact SG-SG 2.91Å
744	Q	74.4	Confident	76.7	Confident	90 Å²	90	66 Å²	66	42%	0.421	38%	0.378	S	S	.	.	S	Bend	trans	-61.8	-33.4	-178.7	-177.7	-172.8	-42.3	0	0	113.1	H769 C771	Q744-H769 PolarHBondContact N-O 2.78Å; Q744-C771 HydrophobicContact CB-CB 4.47Å; Q744-C771 PolarHBondContact NE2-O 3.44Å
745	H	80.3	Confident	77.1	Confident	29 Å²	29	65.7 Å²	65.7	13%	0.134	38%	0.379	C	S	.	.	S	Bend	trans	-120	-63.2	-172.7	-77.2	169.7	0	0	0	114.7	C743 R759 F762 C771	C743-H745 VanDerWaalsContact C-N 3.29Å; C743-H745 PolarHBondContact O-N 3.05Å; H745-R759 HydrophobicContact CB-CB 4.26Å; H745-R759 HydrophobicContact CB-CG 4.04Å; H745-R759 PolarHBondContact O-NE 3.39Å; H745-R759 PolarHBondContact O-NH2 3.28Å; H745-F762 AromaticContact CE1-CD1 3.73Å; H745-F762 AromaticContact CE1-CD2 3.49Å; H745-F762 VanDerWaalsContact CE1-CD2 3.49Å; H745-F762 WeakPolarHBondContact CE1-CD2 3.44Å; H745-F762 AromaticContact CE1-CE1 3.98Å; H745-F762 AromaticContact CE1-CE2 3.78Å; H745-F762 AromaticContact CE1-CG 3.48Å; H745-F762 VanDerWaalsContact CE1-CG 3.48Å; H745-F762 WeakPolarHBondContact CE1-CG 3.33Å; H745-C771 WeakPolarHBondContact ND1-CB 3.31Å; H745-C771 PolarHBondContact ND1-SG 3.46Å
746	E	79.3	Confident	76.8	Confident	89 Å²	89	64.1 Å²	64.1	42%	0.416	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	145.7	-176.5	-175.5	160.7	-157.3	0	0	109.7	C743 C756 Q757	C743-E746 WeakPolarHBondContact CB-O 3.08Å; E746-C756 CarbonylContact O-C 3.44Å; E746-C756 WeakPolarHBondContact O-CA 3.41Å; E746-Q757 HydrophobicContact CB-CB 4.47Å; E746-Q757 WeakPolarHBondContact CB-O 3.3Å; E746-Q757 PolarHBondContact N-O 2.25Å; E746-Q757 PolarHBondContact O-N 3.09Å; E746-Q757 VanDerWaalsContact O-O 3.08Å
747	C	83.6	Confident	76.2	Confident	16 Å²	16	67.2 Å²	67.2	11%	0.108	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.5	-178.4	-177.5	0	0	0	0	107.9	C736 N740 C743 Y754	C736-C747 WeakPolarHBondContact CA-SG 3.44Å; C736-C747 HydrophobicContact CB-CB 3.62Å; C736-C747 WeakPolarHBondContact CB-SG 3.41Å; C736-C747 WeakPolarHBondContact SG-CB 2.96Å; C736-C747 PolarHBondContact SG-O 2.89Å; C736-C747 CovalentContact SG-SG 2.03Å; C736-C747 PolarHBondContact SG-SG 2.82Å; N740-C747 VanDerWaalsContact O-CB 3.25Å; N740-C747 WeakPolarHBondContact O-CB 3.35Å; N740-C747 VanDerWaalsContact OD1-CB 3.27Å; N740-C747 WeakPolarHBondContact OD1-CB 3.2Å; C743-C747 HydrophobicContact CB-CB 4.12Å; C747-Y754 VanDerWaalsContact SG-CD2 3.5Å
748	I	84.6	Confident	75.8	Confident	68 Å²	68	64 Å²	64	35%	0.349	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.1	175.1	-63.7	-179.1	0	0	0	107.3	T750 Y754 V755 Q757	I748-T750 HydrophobicContact CG2-CG2 4.4Å; I748-Y754 CarbonylContact O-C 3.58Å; I748-Y754 VanDerWaalsContact O-CA 3.28Å; I748-Y754 WeakPolarHBondContact O-CA 3.24Å; I748-Y754 WeakPolarHBondContact O-CB 3.35Å; I748-V755 HydrophobicContact CB-CG1 3.99Å; I748-V755 HydrophobicContact CG2-CG1 4.47Å; I748-V755 PolarHBondContact N-O 3.11Å; I748-V755 PolarHBondContact O-N 3.32Å; I748-Q757 HydrophobicContact CD1-CB 4.2Å
749	N	71.8	Confident	75.1	Confident	48 Å²	48	62.4 Å²	62.4	26%	0.257	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.5	175.6	-169.4	74.8	0	0	0	109.8	D732 D734 E735 C736 S753	D732-N749 PolarHBondContact OD2-ND2 3.45Å; D734-N749 VanDerWaalsContact CA-OD1 3.28Å; D734-N749 WeakPolarHBondContact CA-OD1 3.39Å; E735-N749 PolarHBondContact N-OD1 3.27Å; E735-N749 VanDerWaalsContact N-OD1 3.07Å; C736-N749 HydrophobicContact CB-CB 4.4Å; C736-N749 PolarHBondContact SG-N 2.98Å; N749-S753 PolarHBondContact OD1-O 3.39Å
750	T	72.9	Confident	73.7	Confident	59 Å²	59	58.3 Å²	58.3	36%	0.362	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	159.1	-179.7	60	0	0	0	0	109.1	I748 G752 S753 V755	I748-T750 HydrophobicContact CG2-CG2 4.4Å; T750-G752 PolarHBondContact O-N 3.23Å; T750-S753 CarbonylContact C-O 3.59Å; T750-S753 PolarHBondContact N-O 2.82Å; T750-S753 CarbonylContact O-C 3.52Å; T750-S753 PolarHBondContact O-N 3.17Å; T750-S753 VanDerWaalsContact OG1-C 3.29Å; T750-S753 PolarHBondContact OG1-O 3.36Å; T750-V755 HydrophobicContact CG2-CG1 4.48Å
751	V	64.3	Low	72.2	Confident	133 Å²	133	56.2 Å²	56.2	81%	0.806	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	105.6	-171.9	-176.9	0	0	0	0	110.5
752	G	62	Low	71.4	Confident	58 Å²	58	58.6 Å²	58.6	60%	0.598	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	7.4	-175.7	0	0	0	0	0	115.6	D732 T750	D732-G752 PolarHBondContact OD1-N 3.25Å; T750-G752 PolarHBondContact O-N 3.23Å
753	S	69.9	Low	70.6	Confident	59 Å²	59	59.6 Å²	59.6	41%	0.413	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	-164	178.9	-151.3	0	0	0	0	113.1	N749 T750	N749-S753 PolarHBondContact OD1-O 3.39Å; T750-S753 CarbonylContact C-O 3.59Å; T750-S753 PolarHBondContact N-O 2.82Å; T750-S753 CarbonylContact O-C 3.52Å; T750-S753 PolarHBondContact O-N 3.17Å; T750-S753 VanDerWaalsContact OG1-C 3.29Å; T750-S753 PolarHBondContact OG1-O 3.36Å
754	Y	83.9	Confident	69.5	Low	69 Å²	69	62.3 Å²	62.3	27%	0.271	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.3	169.4	62.6	-75.4	0	0	0	110.2	E735 G741 C747 I748 H769	E735-Y754 HydrophobicContact CB-CD1 3.19Å; E735-Y754 HydrophobicContact CB-CE1 3.6Å; E735-Y754 HydrophobicContact CB-CG 3.83Å; E735-Y754 HydrophobicContact CG-CD1 3.61Å; E735-Y754 HydrophobicContact CG-CE1 3.66Å; E735-Y754 WeakPolarHBondContact OE2-CD1 3.4Å; G741-Y754 WeakPolarHBondContact O-CE2 3.36Å; G741-Y754 PolarHBondContact O-OH 3.09Å; G741-Y754 VanDerWaalsContact O-OH 3.09Å; C747-Y754 VanDerWaalsContact SG-CD2 3.5Å; I748-Y754 CarbonylContact O-C 3.58Å; I748-Y754 VanDerWaalsContact O-CA 3.28Å; I748-Y754 WeakPolarHBondContact O-CA 3.24Å; I748-Y754 WeakPolarHBondContact O-CB 3.35Å; Y754-H769 AromaticContact CE2-CE1 3.89Å; Y754-H769 PolarHBondContact OH-CE1 3.28Å
755	V	80.9	Confident	68.7	Low	73 Å²	73	61.6 Å²	61.6	44%	0.442	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.6	171.5	63.1	0	0	0	0	109.8	I748 T750 Q757	I748-V755 HydrophobicContact CB-CG1 3.99Å; I748-V755 HydrophobicContact CG2-CG1 4.47Å; I748-V755 PolarHBondContact N-O 3.11Å; I748-V755 PolarHBondContact O-N 3.32Å; T750-V755 HydrophobicContact CG2-CG1 4.48Å; V755-Q757 PolarHBondContact O-N 3.37Å
756	C	77.4	Confident	68.1	Low	7 Å²	7	68.3 Å²	68.3	5%	0.047	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.4	170.4	-57.9	0	0	0	0	109.2	C743 E746 L764 K768 H769	C743-C756 WeakPolarHBondContact CA-SG 3.17Å; C743-C756 HydrophobicContact CB-CB 3.5Å; C743-C756 VanDerWaalsContact CB-CB 3.5Å; C743-C756 WeakPolarHBondContact CB-SG 3.25Å; C743-C756 WeakPolarHBondContact SG-CA 3.07Å; C743-C756 WeakPolarHBondContact SG-CB 3.25Å; C743-C756 CovalentContact SG-SG 2.02Å; C743-C756 PolarHBondContact SG-SG 2.91Å; E746-C756 CarbonylContact O-C 3.44Å; E746-C756 WeakPolarHBondContact O-CA 3.41Å; C756-L764 HydrophobicContact CB-CD1 3.98Å; C756-L764 WeakPolarHBondContact O-CD1 3.48Å; C756-K768 VanDerWaalsContact CB-O 3.26Å; C756-K768 WeakPolarHBondContact CB-O 3.23Å; C756-K768 PolarHBondContact SG-O 2.95Å; C756-K768 VanDerWaalsContact SG-O 3.36Å; C756-H769 PolarHBondContact SG-ND1 2.94Å; C756-H769 VanDerWaalsContact SG-ND1 3.42Å
757	Q	70.5	Confident	67.3	Low	88 Å²	88	67.5 Å²	67.5	41%	0.411	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.9	167.2	-177.2	159.3	-9.6	0	0	108.8	E746 I748 V755	E746-Q757 HydrophobicContact CB-CB 4.47Å; E746-Q757 WeakPolarHBondContact CB-O 3.3Å; E746-Q757 PolarHBondContact N-O 2.25Å; E746-Q757 PolarHBondContact O-N 3.09Å; E746-Q757 VanDerWaalsContact O-O 3.08Å; I748-Q757 HydrophobicContact CD1-CB 4.2Å; V755-Q757 PolarHBondContact O-N 3.37Å
758	C	72.1	Confident	66.5	Low	14 Å²	14	73.6 Å²	73.6	10%	0.095	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-80.3	130.2	166.3	-66.4	0	0	0	0	109.4	H760 F762 L764 C771	C758-H760 PolarHBondContact O-N 3.2Å; C758-H760 VanDerWaalsContact O-N 3.1Å; C758-F762 HydrophobicContact CB-CB 4.05Å; C758-F762 WeakPolarHBondContact CB-O 3.25Å; C758-L764 WeakPolarHBondContact SG-CA 3.5Å; C758-L764 VanDerWaalsContact SG-CD1 3.6Å; C758-C771 WeakPolarHBondContact CA-SG 3.49Å; C758-C771 HydrophobicContact CB-CB 3.91Å; C758-C771 WeakPolarHBondContact CB-SG 3.48Å; C758-C771 WeakPolarHBondContact SG-CA 3.5Å; C758-C771 WeakPolarHBondContact SG-CB 3.48Å; C758-C771 CovalentContact SG-SG 2.04Å; C758-C771 PolarHBondContact SG-SG 2.86Å
759	R	57	Low	65.7	Low	134 Å²	134	73.6 Å²	73.6	51%	0.506	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-52.5	121.3	159	-71.2	170.9	-153.6	177.8	9.8	107.5	H745 G761 F762	H745-R759 HydrophobicContact CB-CB 4.26Å; H745-R759 HydrophobicContact CB-CG 4.04Å; H745-R759 PolarHBondContact O-NE 3.39Å; H745-R759 PolarHBondContact O-NH2 3.28Å; R759-G761 PolarHBondContact O-N 2.86Å; R759-F762 WeakPolarHBondContact O-CD2 3.49Å; R759-F762 PolarHBondContact O-N 3.45Å
760	H	46.5	Very low	65.4	Low	70 Å²	70	74.5 Å²	74.5	32%	0.324	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	22.3	99.9	132.3	-75.4	-58.8	0	0	0	114.1	C758 N791 W792 P793 D794	C758-H760 PolarHBondContact O-N 3.2Å; C758-H760 VanDerWaalsContact O-N 3.1Å; H760-N791 VanDerWaalsContact C-CA 3.45Å; H760-N791 HydrophobicContact CB-CB 3.95Å; H760-N791 VanDerWaalsContact CB-O 3.26Å; H760-N791 WeakPolarHBondContact CB-O 3.01Å; H760-N791 VanDerWaalsContact CG-O 3.3Å; H760-N791 PolarHBondContact ND1-O 2.91Å; H760-N791 WeakPolarHBondContact O-CB 3.49Å; H760-N791 PolarHBondContact O-ND2 3.44Å; H760-N791 PolarHBondContact O-OD1 2.92Å; H760-W792 PolarHBondContact CE1-O 2.52Å; H760-W792 PolarHBondContact ND1-O 3.21Å; H760-P793 VanDerWaalsContact CE1-CD 3.41Å; H760-P793 WeakPolarHBondContact CE1-CD 3.43Å; H760-D794 HydrophobicContact CB-CB 3.9Å; H760-D794 IonicContact CD2-OD2 3.56Å
761	G	50.3	Low	65.3	Low	16 Å²	16	72 Å²	72	17%	0.165	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	-16.4	-178.4	0	0	0	0	0	115.5	R759 A774 N791	R759-G761 PolarHBondContact O-N 2.86Å; G761-A774 WeakPolarHBondContact O-CB 3.32Å; G761-A774 PolarHBondContact O-N 3.01Å; G761-N791 WeakPolarHBondContact CA-OD1 3.33Å; G761-N791 PolarHBondContact N-OD1 3.26Å
762	F	61.9	Low	65.4	Low	58 Å²	58	69.2 Å²	69.2	25%	0.254	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.7	-175.5	-60.2	-108.2	0	0	0	108.9	H745 C758 R759 C771 K772 E773	H745-F762 AromaticContact CE1-CD1 3.73Å; H745-F762 AromaticContact CE1-CD2 3.49Å; H745-F762 VanDerWaalsContact CE1-CD2 3.49Å; H745-F762 WeakPolarHBondContact CE1-CD2 3.44Å; H745-F762 AromaticContact CE1-CE1 3.98Å; H745-F762 AromaticContact CE1-CE2 3.78Å; H745-F762 AromaticContact CE1-CG 3.48Å; H745-F762 VanDerWaalsContact CE1-CG 3.48Å; H745-F762 WeakPolarHBondContact CE1-CG 3.33Å; C758-F762 HydrophobicContact CB-CB 4.05Å; C758-F762 WeakPolarHBondContact CB-O 3.25Å; R759-F762 WeakPolarHBondContact O-CD2 3.49Å; R759-F762 PolarHBondContact O-N 3.45Å; F762-C771 HydrophobicContact CB-CB 3.8Å; F762-C771 HydrophobicContact CD1-CB 4.34Å; F762-C771 WeakPolarHBondContact CD1-O 3.26Å; F762-C771 HydrophobicContact CG-CB 4.34Å; F762-K772 CarbonylContact C-O 3.39Å; F762-K772 WeakPolarHBondContact CA-O 3.43Å; F762-K772 VanDerWaalsContact CB-O 3.27Å; F762-K772 WeakPolarHBondContact CB-O 3.39Å; F762-E773 HydrophobicContact CD1-CB 4.43Å; F762-E773 HydrophobicContact CD1-CG 3.95Å; F762-E773 HydrophobicContact CE1-CG 3.64Å; F762-E773 HydrophobicContact CZ-CG 4.4Å
763	V	57.9	Low	65.2	Low	65 Å²	65	71.4 Å²	71.4	39%	0.394	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.8	170.2	-62.6	0	0	0	0	109.2	H765 K772 A774	V763-H765 PolarHBondContact O-N 2.83Å; V763-K772 HydrophobicContact CG2-CD 4.12Å; V763-K772 VanDerWaalsContact CG2-CE 3.48Å; V763-K772 HydrophobicContact CG2-CG 3.58Å; V763-K772 PolarHBondContact N-O 3.1Å; V763-K772 PolarHBondContact O-N 3.04Å; V763-K772 VanDerWaalsContact O-O 3.11Å; V763-A774 HydrophobicContact CG1-CB 4.04Å
764	L	58.7	Low	64.7	Low	66 Å²	66	70.1 Å²	70.1	35%	0.346	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	125.1	179.9	-164.5	67.6	0	0	0	109.5	C756 C758 K768	C756-L764 HydrophobicContact CB-CD1 3.98Å; C756-L764 WeakPolarHBondContact O-CD1 3.48Å; C758-L764 WeakPolarHBondContact SG-CA 3.5Å; C758-L764 VanDerWaalsContact SG-CD1 3.6Å; L764-K768 HydrophobicContact CD2-CB 4.08Å; L764-K768 HydrophobicContact CD2-CG 4.3Å
765	H	58	Low	63.6	Low	74 Å²	74	73.5 Å²	73.5	34%	0.343	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-67.3	160.1	177.4	-173.5	-120.7	0	0	0	109.8	V763 N767 K768 D770	V763-H765 PolarHBondContact O-N 2.83Å; H765-N767 VanDerWaalsContact ND1-CG 3.29Å; H765-N767 PolarHBondContact ND1-ND2 2.95Å; H765-N767 PolarHBondContact ND1-OD1 2.9Å; H765-N767 PolarHBondContact O-N 3.26Å; H765-K768 PolarHBondContact O-N 3.49Å; H765-D770 HydrophobicContact CB-CB 3.87Å; H765-D770 WeakPolarHBondContact CB-O 3.49Å; H765-D770 PolarHBondContact N-O 2.99Å
766	E	66.9	Low	63.3	Low	171 Å²	171	71.1 Å²	71.1	80%	0.799	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.6	-171.5	-65.3	176.9	-176.9	0	0	113.3	K768	E766-K768 PolarHBondContact O-N 3.3Å
767	N	63.3	Low	63.6	Low	71 Å²	71	78.2 Å²	78.2	38%	0.38	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.4	172.8	68	11.8	0	0	0	114.7	H765 H769 D770	H765-N767 VanDerWaalsContact ND1-CG 3.29Å; H765-N767 PolarHBondContact ND1-ND2 2.95Å; H765-N767 PolarHBondContact ND1-OD1 2.9Å; H765-N767 PolarHBondContact O-N 3.26Å; N767-H769 PolarHBondContact O-CD2 3.47Å; N767-H769 PolarHBondContact O-N 2.91Å; N767-H769 VanDerWaalsContact O-N 3.15Å; N767-H769 PolarHBondContact OD1-N 2.84Å; N767-D770 PolarHBondContact ND2-OD2 2.74Å; N767-D770 PolarHBondContact OD1-N 2.94Å
768	K	66.4	Low	64.2	Low	144 Å²	144	77.4 Å²	77.4	63%	0.626	38%	0.376	S	S	*	.	S	Bend	trans	61.8	13.5	177.4	-55.8	-174.9	-179.6	-176.3	0	116.6	C756 L764 H765 E766	C756-K768 VanDerWaalsContact CB-O 3.26Å; C756-K768 WeakPolarHBondContact CB-O 3.23Å; C756-K768 PolarHBondContact SG-O 2.95Å; C756-K768 VanDerWaalsContact SG-O 3.36Å; L764-K768 HydrophobicContact CD2-CB 4.08Å; L764-K768 HydrophobicContact CD2-CG 4.3Å; H765-K768 PolarHBondContact O-N 3.49Å; E766-K768 PolarHBondContact O-N 3.3Å
769	H	68.3	Low	65	Low	69 Å²	69	83.9 Å²	83.9	32%	0.319	40%	0.403	S	S	.	.	S	Bend	trans	-122.3	-42.3	176.6	-75.8	-81.7	0	0	0	112.2	G741 Q744 Y754 C756 N767	G741-H769 PolarHBondContact O-CE1 3.06Å; G741-H769 PolarHBondContact O-ND1 3.02Å; Q744-H769 PolarHBondContact N-O 2.78Å; Y754-H769 AromaticContact CE2-CE1 3.89Å; Y754-H769 PolarHBondContact OH-CE1 3.28Å; C756-H769 PolarHBondContact SG-ND1 2.94Å; C756-H769 VanDerWaalsContact SG-ND1 3.42Å; N767-H769 PolarHBondContact O-CD2 3.47Å; N767-H769 PolarHBondContact O-N 2.91Å; N767-H769 VanDerWaalsContact O-N 3.15Å; N767-H769 PolarHBondContact OD1-N 2.84Å
770	D	63.7	Low	66.5	Low	67 Å²	67	78.6 Å²	78.6	36%	0.358	38%	0.384	S	S	.	.	S	Bend	trans	-83.5	162.9	177.5	-63.6	-35.3	0	0	0	111.7	H765 N767	H765-D770 HydrophobicContact CB-CB 3.87Å; H765-D770 WeakPolarHBondContact CB-O 3.49Å; H765-D770 PolarHBondContact N-O 2.99Å; N767-D770 PolarHBondContact ND2-OD2 2.74Å; N767-D770 PolarHBondContact OD1-N 2.94Å
771	C	70.6	Confident	68.4	Low	7 Å²	7	81.7 Å²	81.7	5%	0.047	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	104.3	-178.2	-71.4	0	0	0	0	108.8	Q744 H745 C758 F762	Q744-C771 HydrophobicContact CB-CB 4.47Å; Q744-C771 PolarHBondContact NE2-O 3.44Å; H745-C771 WeakPolarHBondContact ND1-CB 3.31Å; H745-C771 PolarHBondContact ND1-SG 3.46Å; C758-C771 WeakPolarHBondContact CA-SG 3.49Å; C758-C771 HydrophobicContact CB-CB 3.91Å; C758-C771 WeakPolarHBondContact CB-SG 3.48Å; C758-C771 WeakPolarHBondContact SG-CA 3.5Å; C758-C771 WeakPolarHBondContact SG-CB 3.48Å; C758-C771 CovalentContact SG-SG 2.04Å; C758-C771 PolarHBondContact SG-SG 2.86Å; F762-C771 HydrophobicContact CB-CB 3.8Å; F762-C771 HydrophobicContact CD1-CB 4.34Å; F762-C771 WeakPolarHBondContact CD1-O 3.26Å; F762-C771 HydrophobicContact CG-CB 4.34Å
772	K	66.9	Low	70.1	Confident	74 Å²	74	83.6 Å²	83.6	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	146.6	171.4	69.7	166	-176.2	166.8	0	109	F762 V763 A774 E775	F762-K772 CarbonylContact C-O 3.39Å; F762-K772 WeakPolarHBondContact CA-O 3.43Å; F762-K772 VanDerWaalsContact CB-O 3.27Å; F762-K772 WeakPolarHBondContact CB-O 3.39Å; V763-K772 HydrophobicContact CG2-CD 4.12Å; V763-K772 VanDerWaalsContact CG2-CE 3.48Å; V763-K772 HydrophobicContact CG2-CG 3.58Å; V763-K772 PolarHBondContact N-O 3.1Å; V763-K772 PolarHBondContact O-N 3.04Å; V763-K772 VanDerWaalsContact O-O 3.11Å; K772-A774 PolarHBondContact O-N 3.35Å; K772-E775 IonicContact NZ-OE1 2.77Å; K772-E775 PolarHBondContact NZ-OE1 2.89Å
773	E	58.2	Low	71.3	Confident	103 Å²	103	82.6 Å²	82.6	48%	0.481	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	141.5	173	-60.3	-164.9	121.5	0	0	109.7	F762 E775 K800	F762-E773 HydrophobicContact CD1-CB 4.43Å; F762-E773 HydrophobicContact CD1-CG 3.95Å; F762-E773 HydrophobicContact CE1-CG 3.64Å; F762-E773 HydrophobicContact CZ-CG 4.4Å; E773-E775 PolarHBondContact O-N 2.69Å; E773-K800 WeakPolarHBondContact OE1-CE 3.32Å; E773-K800 IonicContact OE1-NZ 3.89Å; E773-K800 PolarHBondContact OE1-NZ 3.38Å; E773-K800 IonicContact OE2-NZ 2.76Å; E773-K800 PolarHBondContact OE2-NZ 3.45Å
774	A	59.7	Low	72.9	Confident	33 Å²	33	82.9 Å²	82.9	27%	0.273	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-63.1	132.8	176.7	0	0	0	0	0	109.9	G761 V763 K772 C776	G761-A774 WeakPolarHBondContact O-CB 3.32Å; G761-A774 PolarHBondContact O-N 3.01Å; V763-A774 HydrophobicContact CG1-CB 4.04Å; K772-A774 PolarHBondContact O-N 3.35Å; A774-C776 PolarHBondContact O-N 2.82Å
775	E	61.1	Low	74.3	Confident	140 Å²	140	81.2 Å²	81.2	65%	0.654	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-64.2	117.6	167.8	-77.4	161.3	-137.7	0	0	107.8	K772 E773 E777 H778	K772-E775 IonicContact NZ-OE1 2.77Å; K772-E775 PolarHBondContact NZ-OE1 2.89Å; E773-E775 PolarHBondContact O-N 2.69Å; E775-E777 VanDerWaalsContact C-N 3.33Å; E775-E777 PolarHBondContact O-N 2.72Å; E775-H778 PolarHBondContact O-CE1 2.81Å; E775-H778 VanDerWaalsContact O-CE1 3.22Å
776	C	74.9	Confident	75.7	Confident	23 Å²	23	82.9 Å²	82.9	16%	0.155	43%	0.427	C	S	.	.			trans	-94.7	16.9	-166.5	-118.3	0	0	0	0	113.5	A774 P790 C802 T803	A774-C776 PolarHBondContact O-N 2.82Å; C776-P790 VanDerWaalsContact SG-CG 3.56Å; C776-C802 HydrophobicContact CB-CB 3.65Å; C776-C802 WeakPolarHBondContact CB-SG 3.35Å; C776-C802 CarbonylContact O-C 3.6Å; C776-C802 VanDerWaalsContact O-CA 3.25Å; C776-C802 WeakPolarHBondContact O-CA 3.31Å; C776-C802 WeakPolarHBondContact SG-CB 3.47Å; C776-C802 CovalentContact SG-SG 2.03Å; C776-C802 PolarHBondContact SG-SG 2.94Å; C776-T803 PolarHBondContact O-N 3.49Å
777	E	82.8	Confident	76.9	Confident	156 Å²	156	75.1 Å²	75.1	73%	0.729	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.4	172	-65.7	-174.2	-164.2	0	0	109.4	E775	E775-E777 VanDerWaalsContact C-N 3.33Å; E775-E777 PolarHBondContact O-N 2.72Å
778	H	83.3	Confident	78.2	Confident	70 Å²	70	74 Å²	74	32%	0.324	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.3	-175.6	-54.2	-59.3	0	0	0	111.1	E775 T803 W804 D805	E775-H778 PolarHBondContact O-CE1 2.81Å; E775-H778 VanDerWaalsContact O-CE1 3.22Å; H778-T803 PolarHBondContact N-O 3.02Å; H778-W804 HydrophobicContact CB-CG 4.15Å; H778-W804 AromaticContact CD2-CD1 3.61Å; H778-W804 AromaticContact CD2-CE2 3.59Å; H778-W804 AromaticContact CD2-NE1 3.21Å; H778-W804 PolarHBondContact CD2-NE1 2.97Å; H778-W804 AromaticContact CG-CD1 3.87Å; H778-W804 AromaticContact CG-NE1 3.84Å; H778-W804 WeakPolarHBondContact O-CA 3.32Å; H778-D805 PolarHBondContact O-N 2.6Å
779	K	87.9	Confident	79.3	Confident	151 Å²	151	67.1 Å²	67.1	66%	0.657	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.7	175.7	-60.7	-166.1	176.2	-175.2	0	109.4	D805	K779-D805 WeakPolarHBondContact CA-O 3.4Å; K779-D805 HydrophobicContact CG-CB 4.33Å
780	I	88.4	Confident	80.1	Confident	23 Å²	23	64.7 Å²	64.7	12%	0.118	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.1	-169.9	-63.9	-177.4	0	0	0	108.8	L787 D805 I806 T807 H885	I780-L787 HydrophobicContact CD1-CD2 4.47Å; I780-D805 PolarHBondContact N-O 2.8Å; I780-I806 HydrophobicContact CB-CB 4.45Å; I780-I806 HydrophobicContact CB-CG1 4.21Å; I780-I806 HydrophobicContact CB-CG2 4.23Å; I780-I806 HydrophobicContact CD1-CG1 4.28Å; I780-I806 HydrophobicContact CG2-CG2 4Å; I780-T807 PolarHBondContact O-N 3.28Å; I780-H885 VanDerWaalsContact CG2-CE1 3.41Å; I780-H885 WeakPolarHBondContact CG2-CE1 3.33Å; I780-H885 WeakPolarHBondContact CG2-NE2 3.44Å
781	H	87.6	Confident	80.7	Confident	134 Å²	134	62.5 Å²	62.5	62%	0.62	34%	0.338	S	S	*	.			trans	-123.6	3.5	176.4	-56	-35.5	0	0	0	112.2
782	S	86	Confident	81.3	Confident	56 Å²	56	65.2 Å²	65.2	39%	0.392	35%	0.347	S	S	.	.	S	Bend	trans	-76.7	140.8	174	65.9	0	0	0	0	110.3	S784 H885	S782-S784 WeakPolarHBondContact CB-O 3.23Å; S782-S784 PolarHBondContact O-N 2.75Å; S782-S784 PolarHBondContact OG-O 2.84Å; S782-H885 PolarHBondContact O-NE2 3.44Å; S782-H885 VanDerWaalsContact O-NE2 3.13Å; S782-H885 PolarHBondContact OG-CE1 2.96Å; S782-H885 PolarHBondContact OG-NE2 2.68Å; S782-H885 VanDerWaalsContact OG-NE2 3.15Å
783	P	86.1	Confident	82	Confident	37 Å²	37	64.9 Å²	64.9	24%	0.24	35%	0.352	C	S	.	.	S	Bend	trans	-66.3	-20.1	-177.5	28.2	-36.3	0	0	0	112.8	S886 T887 Q907	P783-S886 CarbonylContact O-C 3.42Å; P783-T887 WeakPolarHBondContact CA-OG1 3.33Å; P783-T887 WeakPolarHBondContact O-CB 3.5Å; P783-T887 PolarHBondContact O-N 3.26Å; P783-T887 PolarHBondContact O-OG1 2.87Å; P783-Q907 HydrophobicContact CB-CG 4.4Å; P783-Q907 HydrophobicContact CG-CG 3.95Å
784	S	92.1	Very high	83	Confident	72 Å²	72	64.2 Å²	64.2	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	171.6	170.3	59.3	0	0	0	0	111.2	S782 H885	S782-S784 WeakPolarHBondContact CB-O 3.23Å; S782-S784 PolarHBondContact O-N 2.75Å; S782-S784 PolarHBondContact OG-O 2.84Å; S784-H885 VanDerWaalsContact C-CE1 3.43Å; S784-H885 CarbonylContact C-O 3.55Å; S784-H885 WeakPolarHBondContact CA-O 3.46Å; S784-H885 WeakPolarHBondContact CB-O 3.34Å; S784-H885 PolarHBondContact O-CE1 3.42Å; S784-H885 PolarHBondContact O-NE2 2.97Å
785	G	88.9	Confident	84	Confident	30 Å²	30	68.6 Å²	68.6	31%	0.309	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-163.5	175.4	0	0	0	0	0	111.9	S884 H885	G785-S884 CarbonylContact O-C 3.53Å; G785-S884 VanDerWaalsContact O-CA 3.28Å; G785-S884 WeakPolarHBondContact O-CA 3.45Å; G785-H885 VanDerWaalsContact CA-CE1 3.4Å; G785-H885 WeakPolarHBondContact CA-CE1 3.36Å; G785-H885 PolarHBondContact N-CE1 2.87Å; G785-H885 VanDerWaalsContact N-CE1 3.3Å; G785-H885 PolarHBondContact N-O 3.48Å; G785-H885 PolarHBondContact O-N 2.87Å
786	T	87.4	Confident	85.2	Confident	109 Å²	109	62 Å²	62	67%	0.669	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.5	173.8	49	0	0	0	0	110.8	A883	T786-A883 WeakPolarHBondContact CA-O 3.03Å
787	L	90.8	Very high	85.7	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.8	171.6	60.6	83.5	0	0	0	109.4	I780 I806 I816 L868 F881 A883 H885	I780-L787 HydrophobicContact CD1-CD2 4.47Å; L787-I806 HydrophobicContact CD2-CD1 3.81Å; L787-I816 HydrophobicContact CD2-CD1 4.19Å; L787-L868 HydrophobicContact CD1-CD1 4.32Å; L787-L868 HydrophobicContact CD2-CD1 3.92Å; L787-F881 HydrophobicContact CD1-CD2 4.28Å; L787-F881 HydrophobicContact CD1-CE2 3.72Å; L787-A883 HydrophobicContact CD1-CB 3.94Å; L787-A883 HydrophobicContact CG-CB 4.45Å; L787-A883 PolarHBondContact N-O 3.18Å; L787-A883 PolarHBondContact O-N 2.95Å; L787-H885 HydrophobicContact CD2-CB 4.3Å
788	S	91	Very high	85.8	Confident	46 Å²	46	57.3 Å²	57.3	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.3	-179.7	60.9	0	0	0	0	110.6	W804 F881	S788-W804 WeakPolarHBondContact O-CZ2 3.14Å; S788-F881 CarbonylContact C-O 3.57Å; S788-F881 WeakPolarHBondContact CA-O 3.18Å; S788-F881 WeakPolarHBondContact CB-O 3.16Å
789	S	90	Very high	85.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	34%	0.338	C	S	.	.			trans	-57.6	154.2	166.9	54.2	0	0	0	0	110.5	N791 W792 K879 G880 F881	S789-N791 PolarHBondContact O-N 3Å; S789-W792 WeakPolarHBondContact O-CB 3.07Å; S789-W792 PolarHBondContact O-N 3.26Å; S789-K879 PolarHBondContact OG-O 2.82Å; S789-G880 VanDerWaalsContact OG-CA 3.3Å; S789-G880 WeakPolarHBondContact OG-CA 3.46Å; S789-F881 PolarHBondContact N-O 3.37Å; S789-F881 PolarHBondContact OG-N 2.82Å; S789-F881 PolarHBondContact OG-O 3.03Å
790	P	84.4	Confident	85.7	Confident	17 Å²	17	58.2 Å²	58.2	11%	0.11	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	142.4	165.8	-22.6	32.7	0	0	0	109.8	C776 W792 Y796 P797 C802	C776-P790 VanDerWaalsContact SG-CG 3.56Å; P790-W792 PolarHBondContact O-N 2.94Å; P790-Y796 WeakPolarHBondContact O-CA 3.5Å; P790-Y796 VanDerWaalsContact O-CB 3.3Å; P790-Y796 WeakPolarHBondContact O-CB 3.5Å; P790-P797 HydrophobicContact CB-CG 4.41Å; P790-C802 HydrophobicContact CG-CB 4.28Å; P790-C802 WeakPolarHBondContact CG-SG 3.49Å
791	N	77.6	Confident	85.8	Confident	22 Å²	22	62.4 Å²	62.4	12%	0.118	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	-7.1	179.7	-43.3	24.5	0	0	0	117.2	H760 G761 S789 D794 K795 P797	H760-N791 VanDerWaalsContact C-CA 3.45Å; H760-N791 HydrophobicContact CB-CB 3.95Å; H760-N791 VanDerWaalsContact CB-O 3.26Å; H760-N791 WeakPolarHBondContact CB-O 3.01Å; H760-N791 VanDerWaalsContact CG-O 3.3Å; H760-N791 PolarHBondContact ND1-O 2.91Å; H760-N791 WeakPolarHBondContact O-CB 3.49Å; H760-N791 PolarHBondContact O-ND2 3.44Å; H760-N791 PolarHBondContact O-OD1 2.92Å; G761-N791 WeakPolarHBondContact CA-OD1 3.33Å; G761-N791 PolarHBondContact N-OD1 3.26Å; S789-N791 PolarHBondContact O-N 3Å; N791-D794 CarbonylContact C-O 3.52Å; N791-D794 HydrophobicContact CB-CB 4.41Å; N791-D794 CarbonylContact O-C 3.6Å; N791-D794 VanDerWaalsContact O-CA 3.26Å; N791-D794 WeakPolarHBondContact O-CA 3.37Å; N791-D794 WeakPolarHBondContact O-CB 3.46Å; N791-D794 PolarHBondContact O-N 3.5Å; N791-K795 WeakPolarHBondContact CB-O 3.21Å; N791-K795 VanDerWaalsContact CG-O 3.26Å; N791-K795 PolarHBondContact ND2-O 3.28Å; N791-P797 WeakPolarHBondContact OD1-CD 3.37Å; N791-P797 WeakPolarHBondContact OD1-CG 3.45Å
792	W	81.3	Confident	85.9	Confident	63 Å²	63	56 Å²	56	24%	0.239	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	135.6	-179.3	-173.7	93.1	0	0	0	111.7	H760 S789 P790 E820 F881 Q882	H760-W792 PolarHBondContact CE1-O 2.52Å; H760-W792 PolarHBondContact ND1-O 3.21Å; S789-W792 WeakPolarHBondContact O-CB 3.07Å; S789-W792 PolarHBondContact O-N 3.26Å; P790-W792 PolarHBondContact O-N 2.94Å; W792-E820 HydrophobicContact CZ2-CB 4.42Å; W792-E820 HydrophobicContact CZ2-CG 4.18Å; W792-F881 VanDerWaalsContact CD1-C 3.48Å; W792-Q882 HydrophobicContact CD2-CB 3.91Å; W792-Q882 HydrophobicContact CE3-CB 4.46Å; W792-Q882 HydrophobicContact CG-CB 4.33Å; W792-Q882 HydrophobicContact CH2-CB 4.41Å; W792-Q882 HydrophobicContact CH2-CG 4.49Å; W792-Q882 VanDerWaalsContact CH2-NE2 3.3Å; W792-Q882 HydrophobicContact CZ2-CB 3.84Å; W792-Q882 HydrophobicContact CZ2-CG 4.38Å; W792-Q882 VanDerWaalsContact CZ3-NE2 3.26Å
793	P	82	Confident	86.3	Confident	67 Å²	67	54.2 Å²	54.2	44%	0.435	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.4	-0	6.9	37	-35.9	0	0	0	115.1	H760	H760-P793 VanDerWaalsContact CE1-CD 3.41Å; H760-P793 WeakPolarHBondContact CE1-CD 3.43Å
794	D	80.3	Confident	86.7	Confident	90 Å²	90	52.9 Å²	52.9	48%	0.481	28%	0.283	S	S	.	.	S	Bend	trans	-70.4	172.4	168.4	-102.6	-30.5	0	0	0	111.5	H760 N791	H760-D794 HydrophobicContact CB-CB 3.9Å; H760-D794 IonicContact CD2-OD2 3.56Å; N791-D794 CarbonylContact C-O 3.52Å; N791-D794 HydrophobicContact CB-CB 4.41Å; N791-D794 CarbonylContact O-C 3.6Å; N791-D794 VanDerWaalsContact O-CA 3.26Å; N791-D794 WeakPolarHBondContact O-CA 3.37Å; N791-D794 WeakPolarHBondContact O-CB 3.46Å; N791-D794 PolarHBondContact O-N 3.5Å
795	K	80.3	Confident	86.7	Confident	125 Å²	125	51 Å²	51	54%	0.543	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-70.6	131.3	-177.9	-69.2	-176.7	166.6	-141.5	0	112.7	N791 Q877 R878	N791-K795 WeakPolarHBondContact CB-O 3.21Å; N791-K795 VanDerWaalsContact CG-O 3.26Å; N791-K795 PolarHBondContact ND2-O 3.28Å; K795-Q877 HydrophobicContact CB-CB 4.31Å; K795-Q877 WeakPolarHBondContact CD-O 3.4Å; K795-Q877 WeakPolarHBondContact CE-O 3.33Å; K795-Q877 PolarHBondContact NZ-O 2.99Å; K795-R878 CarbonylContact C-O 3.51Å; K795-R878 WeakPolarHBondContact CA-O 3.17Å
796	Y	86.6	Confident	87	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.008	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-60.1	157.7	174.1	54.6	-103.5	0	0	0	112.4	P790 E824 D832 F870 Q877 R878 G880	P790-Y796 WeakPolarHBondContact O-CA 3.5Å; P790-Y796 VanDerWaalsContact O-CB 3.3Å; P790-Y796 WeakPolarHBondContact O-CB 3.5Å; Y796-E824 PolarHBondContact OH-N 3.22Å; Y796-E824 VanDerWaalsContact OH-N 3.15Å; Y796-D832 HydrophobicContact CE2-CB 4.24Å; Y796-D832 WeakPolarHBondContact CE2-OD2 3.32Å; Y796-D832 VanDerWaalsContact OH-CG 3.31Å; Y796-D832 PolarHBondContact OH-OD2 2.81Å; Y796-F870 HydrophobicContact CD1-CE1 4.49Å; Y796-F870 AromaticContact CD1-CZ 3.84Å; Y796-F870 HydrophobicContact CD1-CZ 3.84Å; Y796-F870 HydrophobicContact CD2-CE1 4.18Å; Y796-F870 AromaticContact CD2-CZ 3.74Å; Y796-F870 HydrophobicContact CD2-CZ 3.74Å; Y796-F870 HydrophobicContact CE1-CZ 4.06Å; Y796-F870 AromaticContact CE2-CZ 3.96Å; Y796-F870 HydrophobicContact CE2-CZ 3.96Å; Y796-F870 HydrophobicContact CG-CE1 4.04Å; Y796-F870 AromaticContact CG-CZ 3.7Å; Y796-F870 HydrophobicContact CG-CZ 3.7Å; Y796-Q877 HydrophobicContact CD2-CB 4.22Å; Y796-Q877 HydrophobicContact CD2-CG 3.99Å; Y796-Q877 HydrophobicContact CE2-CB 4.11Å; Y796-Q877 HydrophobicContact CE2-CG 4.06Å; Y796-Q877 VanDerWaalsContact O-CB 3.29Å; Y796-Q877 WeakPolarHBondContact O-CB 3.23Å; Y796-Q877 WeakPolarHBondContact O-CG 3.42Å; Y796-R878 WeakPolarHBondContact CD1-O 3.49Å; Y796-R878 HydrophobicContact CE1-CB 3.84Å; Y796-R878 WeakPolarHBondContact CE1-O 3.43Å; Y796-R878 VanDerWaalsContact CZ-N 3.3Å; Y796-R878 PolarHBondContact N-O 3.14Å; Y796-R878 PolarHBondContact OH-N 2.9Å; Y796-G880 VanDerWaalsContact CD1-CA 3.42Å
797	P	84.1	Confident	87.3	Confident	25 Å²	25	46.3 Å²	46.3	16%	0.162	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-78.5	158.8	-179.1	-4.8	23.7	0	0	0	111.3	P790 N791 K800 S872	P790-P797 HydrophobicContact CB-CG 4.41Å; N791-P797 WeakPolarHBondContact OD1-CD 3.37Å; N791-P797 WeakPolarHBondContact OD1-CG 3.45Å; P797-K800 HydrophobicContact CB-CG 3.75Å; P797-K800 HydrophobicContact CG-CG 3.81Å; P797-S872 WeakPolarHBondContact O-CB 3.36Å; P797-S872 PolarHBondContact O-OG 3.33Å
798	S	84.8	Confident	87.4	Confident	55 Å²	55	46.3 Å²	46.3	39%	0.385	23%	0.233	S	C	.	.	S	Bend	trans	-71.9	151.9	168	57.5	0	0	0	0	111.6	K800 D873 Q877	S798-K800 PolarHBondContact O-N 3.35Å; S798-D873 CarbonylContact C-O 3.49Å; S798-D873 VanDerWaalsContact CA-O 3.24Å; S798-D873 WeakPolarHBondContact CA-O 3.28Å; S798-D873 VanDerWaalsContact CB-O 3.23Å; S798-D873 WeakPolarHBondContact CB-O 3.34Å; S798-Q877 VanDerWaalsContact CB-NE2 3.29Å
799	R	84.3	Confident	87.4	Confident	196 Å²	196	45.9 Å²	45.9	74%	0.74	23%	0.229	S	C	*	.	S	Bend	trans	55.3	46.4	173.9	-52.9	-176.4	-180	-162.5	-1.7	113.8	S872 D873 A874	R799-S872 VanDerWaalsContact CA-O 3.25Å; R799-S872 WeakPolarHBondContact CA-O 3.1Å; R799-S872 PolarHBondContact N-O 2.82Å; R799-S872 PolarHBondContact N-OG 2.94Å; R799-D873 PolarHBondContact N-O 3.04Å; R799-A874 HydrophobicContact CG-CB 4.41Å
800	K	85.3	Confident	87.4	Confident	43 Å²	43	48.1 Å²	48.1	19%	0.187	24%	0.243	C	C	.	.			trans	-108.1	143.8	173.6	-66.5	-62	176.6	-167.4	0	111.3	E773 P797 S798 I871 S872	E773-K800 WeakPolarHBondContact OE1-CE 3.32Å; E773-K800 IonicContact OE1-NZ 3.89Å; E773-K800 PolarHBondContact OE1-NZ 3.38Å; E773-K800 IonicContact OE2-NZ 2.76Å; E773-K800 PolarHBondContact OE2-NZ 3.45Å; P797-K800 HydrophobicContact CB-CG 3.75Å; P797-K800 HydrophobicContact CG-CG 3.81Å; S798-K800 PolarHBondContact O-N 3.35Å; K800-I871 CarbonylContact O-C 3.37Å; K800-I871 WeakPolarHBondContact O-CA 3.3Å; K800-S872 PolarHBondContact N-OG 3.26Å; K800-S872 PolarHBondContact O-N 3.43Å
801	E	90.7	Very high	87.5	Confident	112 Å²	112	47.6 Å²	47.6	52%	0.523	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.5	165.9	-177.6	170.5	-174.1	0	0	106	R869 F870 I871	E801-R869 HydrophobicContact CG-CG 4.27Å; E801-R869 WeakPolarHBondContact OE1-CD 3.42Å; E801-R869 IonicContact OE1-NH1 3.76Å; E801-F870 CarbonylContact C-O 3.36Å; E801-F870 WeakPolarHBondContact CA-O 3.35Å; E801-I871 HydrophobicContact CG-CG1 4.45Å
802	C	90.5	Very high	88.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.3	-172.9	-58.3	0	0	0	0	109.7	C776 P790 W804 R869 F870	C776-C802 HydrophobicContact CB-CB 3.65Å; C776-C802 WeakPolarHBondContact CB-SG 3.35Å; C776-C802 CarbonylContact O-C 3.6Å; C776-C802 VanDerWaalsContact O-CA 3.25Å; C776-C802 WeakPolarHBondContact O-CA 3.31Å; C776-C802 WeakPolarHBondContact SG-CB 3.47Å; C776-C802 CovalentContact SG-SG 2.03Å; C776-C802 PolarHBondContact SG-SG 2.94Å; P790-C802 HydrophobicContact CG-CB 4.28Å; P790-C802 WeakPolarHBondContact CG-SG 3.49Å; C802-W804 HydrophobicContact CB-CH2 3.79Å; C802-W804 HydrophobicContact CB-CZ3 4.09Å; C802-W804 VanDerWaalsContact O-CZ3 3.24Å; C802-W804 WeakPolarHBondContact O-CZ3 3.41Å; C802-R869 CarbonylContact O-C 3.55Å; C802-R869 WeakPolarHBondContact O-CA 3.29Å; C802-F870 HydrophobicContact CB-CB 4.47Å; C802-F870 PolarHBondContact N-O 3.34Å; C802-F870 PolarHBondContact O-N 2.96Å
803	T	93.3	Very high	88.7	Confident	18 Å²	18	46.7 Å²	46.7	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.1	-163.6	69.4	0	0	0	0	112.1	C776 H778 Y867 L868 R869	C776-T803 PolarHBondContact O-N 3.49Å; H778-T803 PolarHBondContact N-O 3.02Å; T803-Y867 WeakPolarHBondContact CG2-OH 3.41Å; T803-L868 CarbonylContact C-O 3.57Å; T803-L868 VanDerWaalsContact CA-O 3.22Å; T803-L868 WeakPolarHBondContact CA-O 3.45Å; T803-R869 HydrophobicContact CG2-CB 4.47Å; T803-R869 HydrophobicContact CG2-CG 4.36Å
804	W	94.6	Very high	89.3	Confident	9 Å²	9	43.6 Å²	43.6	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.1	177.5	-57.5	-104.1	0	0	0	109.5	H778 S788 C802 I806 Y867 L868 F870 F881	H778-W804 HydrophobicContact CB-CG 4.15Å; H778-W804 AromaticContact CD2-CD1 3.61Å; H778-W804 AromaticContact CD2-CE2 3.59Å; H778-W804 AromaticContact CD2-NE1 3.21Å; H778-W804 PolarHBondContact CD2-NE1 2.97Å; H778-W804 AromaticContact CG-CD1 3.87Å; H778-W804 AromaticContact CG-NE1 3.84Å; H778-W804 WeakPolarHBondContact O-CA 3.32Å; S788-W804 WeakPolarHBondContact O-CZ2 3.14Å; C802-W804 HydrophobicContact CB-CH2 3.79Å; C802-W804 HydrophobicContact CB-CZ3 4.09Å; C802-W804 VanDerWaalsContact O-CZ3 3.24Å; C802-W804 WeakPolarHBondContact O-CZ3 3.41Å; W804-I806 HydrophobicContact CB-CD1 4.3Å; W804-I806 HydrophobicContact CB-CG1 4.09Å; W804-Y867 WeakPolarHBondContact O-CA 3.48Å; W804-L868 HydrophobicContact CB-CB 4.16Å; W804-L868 HydrophobicContact CB-CD1 4.47Å; W804-L868 HydrophobicContact CD2-CB 4.49Å; W804-L868 HydrophobicContact CE3-CB 3.85Å; W804-L868 PolarHBondContact N-O 3.19Å; W804-L868 PolarHBondContact O-N 2.93Å; W804-F870 HydrophobicContact CH2-CB 3.96Å; W804-F870 HydrophobicContact CZ3-CB 3.73Å; W804-F881 AromaticContact CH2-CZ 3.77Å; W804-F881 HydrophobicContact CH2-CZ 3.77Å; W804-F881 HydrophobicContact CZ2-CZ 4.32Å; W804-F881 HydrophobicContact CZ3-CZ 4.19Å
805	D	93.3	Very high	90	Very high	32 Å²	32	42 Å²	42	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	105.1	167.1	168.4	12	0	0	0	108.1	H778 K779 I780 T807	H778-D805 PolarHBondContact O-N 2.6Å; K779-D805 WeakPolarHBondContact CA-O 3.4Å; K779-D805 HydrophobicContact CG-CB 4.33Å; I780-D805 PolarHBondContact N-O 2.8Å; D805-T807 PolarHBondContact OD1-OG1 2.7Å
806	I	94.7	Very high	90.8	Very high	3 Å²	3	36 Å²	36	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108	-176.5	-48.5	177.7	0	0	0	108.1	I780 L787 W804 V814 I816 K865 M866 L868	I780-I806 HydrophobicContact CB-CB 4.45Å; I780-I806 HydrophobicContact CB-CG1 4.21Å; I780-I806 HydrophobicContact CB-CG2 4.23Å; I780-I806 HydrophobicContact CD1-CG1 4.28Å; I780-I806 HydrophobicContact CG2-CG2 4Å; L787-I806 HydrophobicContact CD2-CD1 3.81Å; W804-I806 HydrophobicContact CB-CD1 4.3Å; W804-I806 HydrophobicContact CB-CG1 4.09Å; I806-V814 HydrophobicContact CB-CG1 4.22Å; I806-V814 HydrophobicContact CB-CG2 4.47Å; I806-V814 HydrophobicContact CD1-CG1 4.46Å; I806-V814 HydrophobicContact CG2-CG1 3.7Å; I806-V814 HydrophobicContact CG2-CG2 3.96Å; I806-I816 HydrophobicContact CD1-CD1 3.73Å; I806-K865 CarbonylContact O-C 3.23Å; I806-K865 VanDerWaalsContact O-CA 3.29Å; I806-K865 WeakPolarHBondContact O-CA 3.5Å; I806-M866 WeakPolarHBondContact CB-O 3.27Å; I806-M866 PolarHBondContact N-O 2.98Å; I806-M866 PolarHBondContact O-N 2.81Å; I806-L868 HydrophobicContact CD1-CD1 3.9Å; I806-L868 HydrophobicContact CD1-CG 4.25Å
807	T	94.1	Very high	91.2	Very high	37 Å²	37	37.2 Å²	37.2	23%	0.227	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.9	178.1	-69.7	0	0	0	0	110	I780 D805 K865	I780-T807 PolarHBondContact O-N 3.28Å; D805-T807 PolarHBondContact OD1-OG1 2.7Å; T807-K865 HydrophobicContact CG2-CG 4.32Å
808	A	92.1	Very high	91.8	Very high	10 Å²	10	36.9 Å²	36.9	8%	0.083	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-94.1	169.9	174	0	0	0	0	0	112.3	V814 N864 T887	A808-V814 HydrophobicContact CB-CG2 3.8Å; A808-N864 PolarHBondContact N-O 2.88Å; A808-N864 PolarHBondContact O-ND2 3.02Å; A808-T887 HydrophobicContact CB-CG2 3.89Å
809	T	91.6	Very high	92.2	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.221	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-60.9	136.5	-179.6	-57	0	0	0	0	112.2	G811 H812 Y903 S906	T809-G811 PolarHBondContact O-N 2.83Å; T809-H812 VanDerWaalsContact O-CB 3.31Å; T809-H812 WeakPolarHBondContact O-CB 3.33Å; T809-H812 PolarHBondContact O-N 2.84Å; T809-H812 PolarHBondContact O-ND1 3.5Å; T809-Y903 HydrophobicContact CG2-CD2 3.78Å; T809-Y903 HydrophobicContact CG2-CG 4.15Å; T809-S906 WeakPolarHBondContact CB-O 3.24Å; T809-S906 PolarHBondContact OG1-O 2.98Å
810	P	90.3	Very high	92.7	Very high	49 Å²	49	32 Å²	32	32%	0.318	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	138.1	-174.4	-29.9	36.2	0	0	0	114.8	H812 N901 Y903	P810-H812 VanDerWaalsContact C-N 3.26Å; P810-H812 PolarHBondContact O-N 2.84Å; P810-N901 HydrophobicContact CB-CB 4.36Å; P810-Y903 HydrophobicContact CB-CD2 4.08Å; P810-Y903 HydrophobicContact CB-CE2 3.94Å; P810-Y903 HydrophobicContact CG-CD2 4.41Å; P810-Y903 HydrophobicContact CG-CE2 3.98Å
811	G	85.8	Confident	93.2	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-7.6	-175.1	0	0	0	0	0	115.1	T809 W921	T809-G811 PolarHBondContact O-N 2.83Å; G811-W921 PolarHBondContact O-NE1 3.49Å
812	H	92.2	Very high	93.5	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	15%	0.148	C	C	.	.			trans	-93.5	176.5	169.8	-63.9	69.7	0	0	0	111.4	T809 P810 G863 N864 T887 E888 Y903 H905 S906	T809-H812 VanDerWaalsContact O-CB 3.31Å; T809-H812 WeakPolarHBondContact O-CB 3.33Å; T809-H812 PolarHBondContact O-N 2.84Å; T809-H812 PolarHBondContact O-ND1 3.5Å; P810-H812 VanDerWaalsContact C-N 3.26Å; P810-H812 PolarHBondContact O-N 2.84Å; H812-G863 CarbonylContact O-C 3.56Å; H812-N864 WeakPolarHBondContact O-CA 3.41Å; H812-N864 VanDerWaalsContact O-CB 3.26Å; H812-N864 WeakPolarHBondContact O-CB 3.45Å; H812-N864 PolarHBondContact O-N 3.06Å; H812-T887 HydrophobicContact CB-CG2 3.35Å; H812-E888 WeakPolarHBondContact CB-O 3.32Å; H812-Y903 PolarHBondContact CE1-O 3.09Å; H812-H905 PolarHBondContact CE1-O 3.18Å; H812-H905 VanDerWaalsContact NE2-CA 3.27Å; H812-H905 WeakPolarHBondContact NE2-CA 3.1Å; H812-S906 PolarHBondContact NE2-N 3.14Å
813	R	92.9	Very high	93.7	Very high	64 Å²	64	27.3 Å²	27.3	24%	0.242	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.6	176.3	-66.1	172.5	-69.4	147.5	3.6	110.7	V860 S861 T887 E888 C889 G890	R813-V860 HydrophobicContact CB-CG1 4.01Å; R813-S861 WeakPolarHBondContact CD-O 3.33Å; R813-S861 VanDerWaalsContact CG-O 3.27Å; R813-S861 WeakPolarHBondContact CG-O 3.39Å; R813-T887 CarbonylContact O-C 3.55Å; R813-T887 WeakPolarHBondContact O-CA 3.34Å; R813-E888 PolarHBondContact N-O 2.69Å; R813-E888 PolarHBondContact O-N 2.82Å; R813-C889 PolarHBondContact NH2-O 2.94Å; R813-G890 PolarHBondContact NE-O 3.37Å
814	V	94.4	Very high	93.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.2	170	178.8	0	0	0	0	108.4	I806 A808 I816 V860 S861 M866	I806-V814 HydrophobicContact CB-CG1 4.22Å; I806-V814 HydrophobicContact CB-CG2 4.47Å; I806-V814 HydrophobicContact CD1-CG1 4.46Å; I806-V814 HydrophobicContact CG2-CG1 3.7Å; I806-V814 HydrophobicContact CG2-CG2 3.96Å; A808-V814 HydrophobicContact CB-CG2 3.8Å; V814-I816 HydrophobicContact CG1-CD1 4.01Å; V814-V860 WeakPolarHBondContact O-CA 3.15Å; V814-S861 PolarHBondContact N-OG 2.79Å; V814-S861 PolarHBondContact O-N 3.35Å; V814-S861 PolarHBondContact O-OG 2.57Å; V814-M866 HydrophobicContact CB-CB 3.85Å; V814-M866 HydrophobicContact CB-CE 4.13Å; V814-M866 HydrophobicContact CG1-CB 3.88Å; V814-M866 HydrophobicContact CG1-CE 4.1Å; V814-M866 HydrophobicContact CG1-SD 4.28Å; V814-M866 HydrophobicContact CG2-CB 4.22Å; V814-M866 VanDerWaalsContact O-CE 3.28Å; V814-M866 WeakPolarHBondContact O-CE 3.46Å
815	K	94.9	Very high	93.7	Very high	57 Å²	57	33.9 Å²	33.9	25%	0.248	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.7	171.8	170.2	178	166.9	-175	0	110.5	L859 V860 H885 S886 E888	K815-L859 CarbonylContact C-O 3.59Å; K815-L859 WeakPolarHBondContact CA-O 3.41Å; K815-V860 HydrophobicContact CB-CG2 4.15Å; K815-V860 HydrophobicContact CD-CG2 4.33Å; K815-V860 HydrophobicContact CG-CG2 4.04Å; K815-H885 CarbonylContact O-C 3.48Å; K815-H885 VanDerWaalsContact O-CA 3.31Å; K815-H885 WeakPolarHBondContact O-CA 3.34Å; K815-S886 PolarHBondContact N-O 3.03Å; K815-S886 PolarHBondContact O-N 2.75Å; K815-E888 HydrophobicContact CB-CG 3.62Å; K815-E888 HydrophobicContact CD-CG 3.46Å; K815-E888 VanDerWaalsContact CD-CG 3.46Å; K815-E888 WeakPolarHBondContact CD-OE1 3.28Å; K815-E888 WeakPolarHBondContact CE-OE1 3.43Å; K815-E888 HydrophobicContact CG-CG 4.24Å; K815-E888 IonicContact NZ-OE1 3.4Å; K815-E888 PolarHBondContact NZ-OE1 3.37Å
816	I	96.1	Very high	93.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.7	175.5	-50.4	-60.1	0	0	0	108.3	L787 I806 V814 F818 P858 L859 M866 L868 A883 S884 H885	L787-I816 HydrophobicContact CD2-CD1 4.19Å; I806-I816 HydrophobicContact CD1-CD1 3.73Å; V814-I816 HydrophobicContact CG1-CD1 4.01Å; I816-F818 HydrophobicContact CG2-CE1 4.29Å; I816-F818 HydrophobicContact CG2-CE2 4.11Å; I816-F818 HydrophobicContact CG2-CZ 3.89Å; I816-P858 CarbonylContact O-C 3.54Å; I816-P858 VanDerWaalsContact O-CA 3.23Å; I816-P858 WeakPolarHBondContact O-CA 3.47Å; I816-L859 HydrophobicContact CB-CB 4.4Å; I816-L859 PolarHBondContact N-O 2.93Å; I816-L859 PolarHBondContact O-N 2.67Å; I816-M866 HydrophobicContact CD1-SD 4.29Å; I816-M866 HydrophobicContact CG1-CE 4.24Å; I816-M866 HydrophobicContact CG1-SD 3.53Å; I816-M866 VanDerWaalsContact CG1-SD 3.53Å; I816-L868 HydrophobicContact CD1-CD1 4.23Å; I816-L868 HydrophobicContact CG1-CD1 4.28Å; I816-A883 HydrophobicContact CG2-CB 3.68Å; I816-S884 WeakPolarHBondContact CA-O 3.15Å; I816-H885 HydrophobicContact CD1-CB 3.63Å
817	A	95.9	Very high	93.3	Very high	27 Å²	27	43.6 Å²	43.6	22%	0.223	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.1	177.7	0	0	0	0	0	110.1	P858 A883 S884	A817-P858 HydrophobicContact CB-CB 4.35Å; A817-P858 HydrophobicContact CB-CG 4.4Å; A817-A883 CarbonylContact O-C 3.54Å; A817-A883 WeakPolarHBondContact O-CA 3.45Å; A817-A883 WeakPolarHBondContact O-CB 3.39Å; A817-S884 PolarHBondContact N-O 3.32Å; A817-S884 PolarHBondContact O-N 2.84Å
818	F	96	Very high	93.1	Very high	18 Å²	18	49 Å²	49	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.3	-176.7	-62.2	-84.6	0	0	0	111.3	I816 F821 L834 L850 I855 P856 L859 F881 Q882 A883	I816-F818 HydrophobicContact CG2-CE1 4.29Å; I816-F818 HydrophobicContact CG2-CE2 4.11Å; I816-F818 HydrophobicContact CG2-CZ 3.89Å; F818-F821 AromaticContact CD1-CD2 3.73Å; F818-F821 HydrophobicContact CD1-CD2 3.73Å; F818-F821 HydrophobicContact CD1-CE2 4.31Å; F818-F821 HydrophobicContact CE1-CD2 4Å; F818-F821 HydrophobicContact CE1-CE2 4.11Å; F818-F821 HydrophobicContact CG-CD2 4.21Å; F818-L834 HydrophobicContact CE1-CD2 3.59Å; F818-L834 HydrophobicContact CZ-CD2 3.6Å; F818-L850 HydrophobicContact CE2-CD1 4Å; F818-L850 HydrophobicContact CZ-CD1 4.06Å; F818-I855 HydrophobicContact CB-CG2 4.02Å; F818-I855 WeakPolarHBondContact O-CG2 3.4Å; F818-P856 HydrophobicContact CD2-CB 3.78Å; F818-P856 HydrophobicContact CD2-CG 3.78Å; F818-P856 HydrophobicContact CE2-CB 3.98Å; F818-P856 HydrophobicContact CE2-CG 4Å; F818-P856 HydrophobicContact CG-CG 4.23Å; F818-L859 HydrophobicContact CE2-CD1 4.3Å; F818-L859 HydrophobicContact CE2-CG 4.35Å; F818-F881 HydrophobicContact CD1-CB 4.2Å; F818-F881 HydrophobicContact CE1-CB 4.43Å; F818-F881 HydrophobicContact CE1-CD2 4.19Å; F818-F881 HydrophobicContact CE1-CG 4.37Å; F818-Q882 WeakPolarHBondContact CA-O 3.42Å; F818-A883 HydrophobicContact CD1-CB 3.74Å; F818-A883 HydrophobicContact CE1-CB 4.07Å; F818-A883 HydrophobicContact CG-CB 4.24Å
819	S	93.8	Very high	93.1	Very high	59 Å²	59	49.4 Å²	49.4	41%	0.413	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-37.2	169.3	50	0	0	0	0	111.5	Q882	S819-Q882 PolarHBondContact N-O 3.08Å; S819-Q882 WeakPolarHBondContact OG-CB 3.36Å; S819-Q882 WeakPolarHBondContact OG-CG 3.37Å; S819-Q882 PolarHBondContact OG-O 3.31Å; S819-Q882 VanDerWaalsContact OG-O 3.14Å; S819-Q882 PolarHBondContact OG-OE1 2.79Å
820	E	94.4	Very high	93	Very high	89 Å²	89	50.3 Å²	50.3	42%	0.416	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.7	179.7	-81.2	-72.8	-177.5	0	0	109.7	W792 F881 Q882	W792-E820 HydrophobicContact CZ2-CB 4.42Å; W792-E820 HydrophobicContact CZ2-CG 4.18Å; E820-F881 CarbonylContact O-C 3.58Å; E820-F881 WeakPolarHBondContact O-CA 3.37Å; E820-F881 WeakPolarHBondContact O-CB 3.38Å; E820-Q882 HydrophobicContact CB-CB 4.34Å; E820-Q882 PolarHBondContact N-O 2.83Å; E820-Q882 PolarHBondContact O-N 2.8Å
821	F	96.1	Very high	93.1	Very high	5 Å²	5	53 Å²	53	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	103.9	-179.8	-163.8	-90	0	0	0	112.4	F818 I823 L834 L850 G852 N853 K854 I855 P856 F881	F818-F821 AromaticContact CD1-CD2 3.73Å; F818-F821 HydrophobicContact CD1-CD2 3.73Å; F818-F821 HydrophobicContact CD1-CE2 4.31Å; F818-F821 HydrophobicContact CE1-CD2 4Å; F818-F821 HydrophobicContact CE1-CE2 4.11Å; F818-F821 HydrophobicContact CG-CD2 4.21Å; F821-I823 HydrophobicContact CE1-CB 4.43Å; F821-I823 HydrophobicContact CE1-CD1 4.15Å; F821-I823 HydrophobicContact CE1-CG1 4.2Å; F821-I823 HydrophobicContact CE2-CD1 3.64Å; F821-I823 HydrophobicContact CE2-CG1 4.27Å; F821-I823 HydrophobicContact CZ-CB 4.5Å; F821-I823 HydrophobicContact CZ-CD1 3.41Å; F821-I823 VanDerWaalsContact CZ-CD1 3.41Å; F821-I823 HydrophobicContact CZ-CG1 3.95Å; F821-L834 HydrophobicContact CE2-CD2 4.31Å; F821-L850 HydrophobicContact CE1-CB 4.47Å; F821-L850 HydrophobicContact CE2-CB 4.22Å; F821-L850 HydrophobicContact CZ-CB 3.61Å; F821-G852 WeakPolarHBondContact CD1-O 3.27Å; F821-G852 WeakPolarHBondContact CE1-O 3.41Å; F821-N853 CarbonylContact O-C 3.35Å; F821-N853 WeakPolarHBondContact O-CA 3.19Å; F821-K854 WeakPolarHBondContact CD1-O 3.43Å; F821-I855 HydrophobicContact CB-CG1 4.4Å; F821-P856 HydrophobicContact CD1-CG 4.08Å; F821-P856 HydrophobicContact CD2-CG 3.82Å; F821-P856 HydrophobicContact CE1-CG 4.1Å; F821-P856 HydrophobicContact CE2-CG 3.85Å; F821-P856 VanDerWaalsContact CG-CD 3.48Å; F821-P856 HydrophobicContact CG-CG 3.94Å; F821-P856 HydrophobicContact CZ-CG 3.99Å; F821-F881 HydrophobicContact CD2-CB 3.7Å; F821-F881 HydrophobicContact CE2-CB 4.28Å
822	E	96.2	Very high	93.6	Very high	48 Å²	48	52.8 Å²	52.8	22%	0.224	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	94.8	170.3	-165.5	-160.8	163.5	0	0	109.4	N853 R878 K879 G880	E822-N853 HydrophobicContact CG-CB 4.15Å; E822-R878 HydrophobicContact CB-CB 4.44Å; E822-R878 HydrophobicContact CG-CB 3.98Å; E822-R878 HydrophobicContact CG-CG 4.28Å; E822-R878 WeakPolarHBondContact O-CB 3.29Å; E822-R878 WeakPolarHBondContact OE1-CD 3.46Å; E822-R878 IonicContact OE1-CZ 3.69Å; E822-R878 IonicContact OE1-NE 3.92Å; E822-R878 IonicContact OE1-NH1 2.72Å; E822-R878 PolarHBondContact OE1-NH1 2.8Å; E822-K879 HydrophobicContact CB-CB 4.4Å; E822-K879 WeakPolarHBondContact OE2-CG 3.37Å; E822-G880 CarbonylContact C-O 3.52Å; E822-G880 PolarHBondContact N-O 3Å; E822-G880 VanDerWaalsContact O-CA 3.24Å; E822-G880 WeakPolarHBondContact O-CA 3.1Å; E822-G880 PolarHBondContact O-N 2.83Å
823	I	95.5	Very high	93.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	26%	0.264	C	S	.	.			trans	-107.4	163.8	170.1	-58.9	-178.5	0	0	0	108.1	F821 Q825 D832 L834 C851 G852 F870 F881	F821-I823 HydrophobicContact CE1-CB 4.43Å; F821-I823 HydrophobicContact CE1-CD1 4.15Å; F821-I823 HydrophobicContact CE1-CG1 4.2Å; F821-I823 HydrophobicContact CE2-CD1 3.64Å; F821-I823 HydrophobicContact CE2-CG1 4.27Å; F821-I823 HydrophobicContact CZ-CB 4.5Å; F821-I823 HydrophobicContact CZ-CD1 3.41Å; F821-I823 VanDerWaalsContact CZ-CD1 3.41Å; F821-I823 HydrophobicContact CZ-CG1 3.95Å; I823-Q825 PolarHBondContact O-N 3.21Å; I823-D832 HydrophobicContact CG2-CB 3.51Å; I823-D832 WeakPolarHBondContact CG2-O 3.39Å; I823-L834 HydrophobicContact CD1-CB 4.01Å; I823-C851 HydrophobicContact CG2-CB 4.19Å; I823-G852 PolarHBondContact N-O 3.04Å; I823-G852 CarbonylContact O-C 3.39Å; I823-G852 WeakPolarHBondContact O-CA 3.44Å; I823-G852 PolarHBondContact O-N 3.28Å; I823-F870 HydrophobicContact CD1-CD2 4.26Å; I823-F870 HydrophobicContact CD1-CE2 3.99Å; I823-F870 HydrophobicContact CG1-CE2 4.41Å; I823-F870 HydrophobicContact CG2-CE2 4.38Å; I823-F881 HydrophobicContact CD1-CD1 4Å
824	E	96.2	Very high	94	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.112	25%	0.252	C	S	.	.			trans	-52.8	142.5	172.3	-174.7	175.2	-156.6	0	0	111.6	Y796 Y831 D832 C851 G852 V876	Y796-E824 PolarHBondContact OH-N 3.22Å; Y796-E824 VanDerWaalsContact OH-N 3.15Å; E824-Y831 HydrophobicContact CG-CD2 4.37Å; E824-Y831 WeakPolarHBondContact OE2-CB 3.36Å; E824-Y831 WeakPolarHBondContact OE2-CD2 3.47Å; E824-D832 HydrophobicContact CB-CB 3.92Å; E824-D832 WeakPolarHBondContact CB-OD2 3.43Å; E824-C851 VanDerWaalsContact O-CB 3.28Å; E824-C851 WeakPolarHBondContact O-CB 3.47Å; E824-G852 PolarHBondContact O-N 3.32Å; E824-V876 VanDerWaalsContact CD-CB 3.46Å; E824-V876 HydrophobicContact CG-CB 4.19Å; E824-V876 HydrophobicContact CG-CG1 3.93Å; E824-V876 VanDerWaalsContact OE1-CB 3.27Å; E824-V876 WeakPolarHBondContact OE1-CB 3.14Å; E824-V876 VanDerWaalsContact OE1-CG1 3.3Å; E824-V876 WeakPolarHBondContact OE1-CG1 3.26Å; E824-V876 WeakPolarHBondContact OE1-CG2 3.5Å
825	Q	92.3	Very high	94.1	Very high	141 Å²	141	50.4 Å²	50.4	66%	0.659	25%	0.253	S	S	*	.			trans	-98	109.9	-177.8	-168.5	168.4	29.8	0	0	111.4	I823	I823-Q825 PolarHBondContact O-N 3.21Å
826	H	93.6	Very high	94.1	Very high	52 Å²	52	47.7 Å²	47.7	24%	0.241	24%	0.241	C	C	.	.			trans	-124.9	148.2	170.9	-175.1	-102.5	0	0	0	110.8	E828 C829 A830 Y831 C851	H826-E828 PolarHBondContact ND1-N 3.37Å; H826-E828 VanDerWaalsContact ND1-N 3.14Å; H826-E828 PolarHBondContact O-N 3.17Å; H826-C829 PolarHBondContact ND1-N 3.3Å; H826-C829 PolarHBondContact O-N 3.15Å; H826-A830 WeakPolarHBondContact ND1-CB 3.45Å; H826-A830 PolarHBondContact ND1-N 2.95Å; H826-Y831 HydrophobicContact CB-CD2 3.92Å; H826-Y831 HydrophobicContact CB-CE2 4.27Å; H826-Y831 HydrophobicContact CB-CG 4.47Å; H826-Y831 AromaticContact CD2-CD2 3.98Å; H826-Y831 AromaticContact CD2-CE2 3.48Å; H826-Y831 VanDerWaalsContact CD2-CE2 3.48Å; H826-Y831 WeakPolarHBondContact CD2-CE2 3.45Å; H826-Y831 AromaticContact CD2-CZ 3.74Å; H826-C851 PolarHBondContact O-SG 3.33Å; H826-C851 VanDerWaalsContact O-SG 3.41Å
827	Q	85.8	Confident	94.2	Very high	188 Å²	188	47.9 Å²	47.9	88%	0.879	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.6	-177	-179.1	173.2	-18.9	0	0	113.5
828	E	88.4	Confident	94.1	Very high	150 Å²	150	48.1 Å²	48.1	70%	0.701	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	12.7	179.1	-58.1	-175.5	142.8	0	0	112.8	H826 A830	H826-E828 PolarHBondContact ND1-N 3.37Å; H826-E828 VanDerWaalsContact ND1-N 3.14Å; H826-E828 PolarHBondContact O-N 3.17Å; E828-A830 PolarHBondContact O-N 2.88Å
829	C	92.3	Very high	93.8	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.122	24%	0.242	C	C	.	.			trans	48.7	57.3	-174.8	-59.3	0	0	0	0	112.8	H826 H833 R849 C851	H826-C829 PolarHBondContact ND1-N 3.3Å; H826-C829 PolarHBondContact O-N 3.15Å; C829-H833 HydrophobicContact CB-CB 3.98Å; C829-H833 PolarHBondContact O-ND1 3.22Å; C829-R849 HydrophobicContact CB-CG 3.88Å; C829-R849 VanDerWaalsContact O-CD 3.3Å; C829-R849 WeakPolarHBondContact O-CD 3.31Å; C829-R849 PolarHBondContact O-NH1 3Å; C829-C851 WeakPolarHBondContact CA-SG 3.47Å; C829-C851 HydrophobicContact CB-CB 3.62Å; C829-C851 WeakPolarHBondContact CB-SG 3.27Å; C829-C851 WeakPolarHBondContact SG-CB 3.46Å; C829-C851 PolarHBondContact SG-N 2.85Å; C829-C851 VanDerWaalsContact SG-N 3.41Å; C829-C851 CovalentContact SG-SG 2.04Å; C829-C851 PolarHBondContact SG-SG 3.2Å
830	A	90.5	Very high	93.6	Very high	55 Å²	55	49.2 Å²	49.2	46%	0.455	25%	0.245	S	C	.	.			trans	-103.1	-10.4	-173.1	0	0	0	0	0	113.9	H826 E828	H826-A830 WeakPolarHBondContact ND1-CB 3.45Å; H826-A830 PolarHBondContact ND1-N 2.95Å; E828-A830 PolarHBondContact O-N 2.88Å
831	Y	92.6	Very high	93.5	Very high	106 Å²	106	46.9 Å²	46.9	42%	0.416	24%	0.238	S	C	.	.	S	Bend	trans	-97.6	-126.5	171	-49	-38.1	0	0	0	108.1	E824 H826 H833	E824-Y831 HydrophobicContact CG-CD2 4.37Å; E824-Y831 WeakPolarHBondContact OE2-CB 3.36Å; E824-Y831 WeakPolarHBondContact OE2-CD2 3.47Å; H826-Y831 HydrophobicContact CB-CD2 3.92Å; H826-Y831 HydrophobicContact CB-CE2 4.27Å; H826-Y831 HydrophobicContact CB-CG 4.47Å; H826-Y831 AromaticContact CD2-CD2 3.98Å; H826-Y831 AromaticContact CD2-CE2 3.48Å; H826-Y831 VanDerWaalsContact CD2-CE2 3.48Å; H826-Y831 WeakPolarHBondContact CD2-CE2 3.45Å; H826-Y831 AromaticContact CD2-CZ 3.74Å; Y831-H833 PolarHBondContact O-N 3.15Å; Y831-H833 PolarHBondContact O-ND1 2.68Å
832	D	95.9	Very high	93.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.258	C	S	.	.	S	Bend	trans	-59.4	133	171.5	-53.6	-34.2	0	0	0	112	Y796 I823 E824 C851 I871 S872 D873	Y796-D832 HydrophobicContact CE2-CB 4.24Å; Y796-D832 WeakPolarHBondContact CE2-OD2 3.32Å; Y796-D832 VanDerWaalsContact OH-CG 3.31Å; Y796-D832 PolarHBondContact OH-OD2 2.81Å; I823-D832 HydrophobicContact CG2-CB 3.51Å; I823-D832 WeakPolarHBondContact CG2-O 3.39Å; E824-D832 HydrophobicContact CB-CB 3.92Å; E824-D832 WeakPolarHBondContact CB-OD2 3.43Å; D832-C851 WeakPolarHBondContact O-CB 3.22Å; D832-I871 WeakPolarHBondContact CA-O 3.29Å; D832-S872 WeakPolarHBondContact OD1-CA 3.41Å; D832-S872 VanDerWaalsContact OD1-CB 3.23Å; D832-S872 WeakPolarHBondContact OD1-CB 3.43Å; D832-D873 PolarHBondContact OD1-N 2.79Å
833	H	96.6	Very high	92.9	Very high	13 Å²	13	52.4 Å²	52.4	6%	0.06	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	157.4	177.4	61.2	-81	0	0	0	114	C829 Y831 E835 R849 L850 C851 F870 I871	C829-H833 HydrophobicContact CB-CB 3.98Å; C829-H833 PolarHBondContact O-ND1 3.22Å; Y831-H833 PolarHBondContact O-N 3.15Å; Y831-H833 PolarHBondContact O-ND1 2.68Å; H833-E835 VanDerWaalsContact CD2-CG 3.48Å; H833-E835 WeakPolarHBondContact CD2-CG 3.22Å; H833-E835 IonicContact NE2-OE1 3.98Å; H833-R849 HydrophobicContact CB-CG 4.04Å; H833-L850 WeakPolarHBondContact CA-O 3.49Å; H833-C851 HydrophobicContact CB-CB 4.33Å; H833-F870 VanDerWaalsContact O-CD2 3.31Å; H833-F870 WeakPolarHBondContact O-CD2 3.48Å; H833-I871 PolarHBondContact N-O 2.93Å; H833-I871 PolarHBondContact O-N 2.88Å
834	L	96.4	Very high	92.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.7	169.3	175.7	65.6	0	0	0	109.7	F818 F821 I823 R849 L850 L868 F870 F881	F818-L834 HydrophobicContact CE1-CD2 3.59Å; F818-L834 HydrophobicContact CZ-CD2 3.6Å; F821-L834 HydrophobicContact CE2-CD2 4.31Å; I823-L834 HydrophobicContact CD1-CB 4.01Å; L834-R849 CarbonylContact O-C 3.59Å; L834-R849 WeakPolarHBondContact O-CA 3.23Å; L834-L850 HydrophobicContact CB-CB 4.5Å; L834-L850 PolarHBondContact N-O 3.16Å; L834-L850 PolarHBondContact O-N 3.06Å; L834-L868 HydrophobicContact CD1-CB 4.43Å; L834-F870 HydrophobicContact CB-CD2 4.43Å; L834-F870 HydrophobicContact CD1-CB 4.04Å; L834-F881 HydrophobicContact CB-CE1 4.47Å; L834-F881 HydrophobicContact CD1-CE1 4.16Å; L834-F881 HydrophobicContact CD1-CZ 4.03Å; L834-F881 HydrophobicContact CD2-CD1 4.24Å; L834-F881 HydrophobicContact CD2-CE1 4.02Å; L834-F881 HydrophobicContact CD2-CE2 4.37Å; L834-F881 HydrophobicContact CD2-CZ 4.09Å; L834-F881 HydrophobicContact CG-CE1 4.46Å
835	E	95.9	Very high	92.6	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.019	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.9	171.1	-53.9	-163.7	115.5	0	0	110.7	H833 F837 R849 L868 R869	H833-E835 VanDerWaalsContact CD2-CG 3.48Å; H833-E835 WeakPolarHBondContact CD2-CG 3.22Å; H833-E835 IonicContact NE2-OE1 3.98Å; E835-F837 HydrophobicContact CB-CD2 4.27Å; E835-F837 HydrophobicContact CB-CE2 3.47Å; E835-F837 VanDerWaalsContact CB-CE2 3.47Å; E835-F837 HydrophobicContact CB-CZ 3.93Å; E835-F837 HydrophobicContact CG-CE2 4.46Å; E835-F837 WeakPolarHBondContact OE2-CZ 3.24Å; E835-R849 HydrophobicContact CG-CG 4.25Å; E835-R849 IonicContact OE1-CZ 3.2Å; E835-R849 IonicContact OE1-NE 2.91Å; E835-R849 PolarHBondContact OE1-NE 3Å; E835-R849 IonicContact OE1-NH2 2.69Å; E835-R849 PolarHBondContact OE1-NH2 3.25Å; E835-L868 WeakPolarHBondContact O-CA 3.28Å; E835-R869 PolarHBondContact N-O 3.49Å; E835-R869 PolarHBondContact O-N 2.9Å; E835-R869 IonicContact OE2-CZ 3.38Å; E835-R869 IonicContact OE2-NE 3.13Å; E835-R869 PolarHBondContact OE2-NE 2.95Å; E835-R869 VanDerWaalsContact OE2-NE 3.13Å; E835-R869 IonicContact OE2-NH2 2.77Å; E835-R869 PolarHBondContact OE2-NH2 2.8Å
836	A	96.5	Very high	92.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.5	171.7	0	0	0	0	0	110.7	I846 L847 G848 L859 L868	A836-I846 CarbonylContact O-C 3.55Å; A836-I846 WeakPolarHBondContact O-CA 3.43Å; A836-L847 HydrophobicContact CB-CB 4.26Å; A836-L847 PolarHBondContact O-N 2.74Å; A836-G848 PolarHBondContact N-O 2.79Å; A836-L859 HydrophobicContact CB-CD1 3.45Å; A836-L859 VanDerWaalsContact CB-CD1 3.45Å; A836-L868 HydrophobicContact CB-CD2 3.47Å; A836-L868 VanDerWaalsContact CB-CD2 3.47Å
837	F	97.2	Very high	92.6	Very high	4 Å²	4	54 Å²	54	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	-173.4	-60.2	-97.6	0	0	0	111.1	E835 G839 D842 A844 A845 I846 M866 Y867 R869	E835-F837 HydrophobicContact CB-CD2 4.27Å; E835-F837 HydrophobicContact CB-CE2 3.47Å; E835-F837 VanDerWaalsContact CB-CE2 3.47Å; E835-F837 HydrophobicContact CB-CZ 3.93Å; E835-F837 HydrophobicContact CG-CE2 4.46Å; E835-F837 WeakPolarHBondContact OE2-CZ 3.24Å; F837-G839 VanDerWaalsContact C-N 3.28Å; F837-G839 PolarHBondContact O-N 3.39Å; F837-D842 HydrophobicContact CD1-CB 4.37Å; F837-D842 HydrophobicContact CE1-CB 3.85Å; F837-D842 VanDerWaalsContact CE1-O 3.29Å; F837-D842 WeakPolarHBondContact CE1-O 3.15Å; F837-D842 HydrophobicContact CE2-CB 4.08Å; F837-D842 HydrophobicContact CZ-CB 3.7Å; F837-A844 HydrophobicContact CB-CB 4.31Å; F837-A845 CarbonylContact C-O 3.58Å; F837-A845 WeakPolarHBondContact CA-O 3.5Å; F837-I846 HydrophobicContact CD1-CG1 3.65Å; F837-I846 HydrophobicContact CE1-CD1 3.97Å; F837-I846 HydrophobicContact CE1-CG1 3.4Å; F837-I846 VanDerWaalsContact CE1-CG1 3.4Å; F837-I846 HydrophobicContact CZ-CG1 4.17Å; F837-M866 WeakPolarHBondContact O-CA 3.21Å; F837-M866 WeakPolarHBondContact O-CG 3.49Å; F837-Y867 HydrophobicContact CB-CD1 4.43Å; F837-Y867 AromaticContact CD2-CD1 3.72Å; F837-Y867 HydrophobicContact CD2-CD1 3.72Å; F837-Y867 HydrophobicContact CD2-CE1 4.38Å; F837-Y867 WeakPolarHBondContact CD2-O 3.46Å; F837-Y867 HydrophobicContact CE2-CD1 4.27Å; F837-Y867 HydrophobicContact CE2-CE1 4.5Å; F837-Y867 HydrophobicContact CG-CD1 4.28Å; F837-Y867 PolarHBondContact N-O 2.88Å; F837-Y867 PolarHBondContact O-N 2.82Å; F837-R869 HydrophobicContact CE2-CB 4.27Å
838	D	93.6	Very high	92.9	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	64.3	-178.8	-162.7	10.7	0	0	0	111.8	A845 L847 S861 T862 G863	D838-A845 PolarHBondContact N-O 3.37Å; D838-L847 HydrophobicContact CB-CD1 4.18Å; D838-L847 HydrophobicContact CB-CD2 3.9Å; D838-L847 HydrophobicContact CB-CG 3.9Å; D838-S861 WeakPolarHBondContact OD1-CA 2.88Å; D838-S861 WeakPolarHBondContact OD1-CB 3.29Å; D838-T862 VanDerWaalsContact CG-N 3.35Å; D838-T862 PolarHBondContact OD1-N 3.49Å; D838-T862 PolarHBondContact OD1-OG1 3.21Å; D838-T862 VanDerWaalsContact OD2-CB 3.31Å; D838-T862 WeakPolarHBondContact OD2-CB 3.33Å; D838-T862 VanDerWaalsContact OD2-CG2 3.28Å; D838-T862 WeakPolarHBondContact OD2-CG2 3.42Å; D838-T862 PolarHBondContact OD2-N 3.35Å; D838-T862 PolarHBondContact OD2-OG1 2.83Å; D838-G863 PolarHBondContact OD1-N 3.17Å
839	G	91.1	Very high	93.2	Very high	14 Å²	14	44 Å²	44	14%	0.144	26%	0.263	C	S	.	.	S	Bend	trans	174.8	-154.6	-175.9	0	0	0	0	0	113.4	F837 K865 M866 Y867	F837-G839 VanDerWaalsContact C-N 3.28Å; F837-G839 PolarHBondContact O-N 3.39Å; G839-K865 CarbonylContact O-C 3.55Å; G839-M866 CarbonylContact O-C 3.59Å; G839-M866 VanDerWaalsContact O-C 3.25Å; G839-M866 WeakPolarHBondContact O-CA 3.25Å; G839-M866 PolarHBondContact O-N 2.99Å; G839-Y867 PolarHBondContact O-N 2.89Å; G839-Y867 VanDerWaalsContact O-N 3.13Å
840	D	89.6	Confident	93.3	Very high	87 Å²	87	44.7 Å²	44.7	47%	0.465	27%	0.265	S	S	.	.	S	Bend	trans	-104.1	3.5	179.6	40.1	26.2	0	0	0	115.2	K865	D840-K865 HydrophobicContact CB-CD 3.6Å; D840-K865 IonicContact OD2-NZ 3.77Å; D840-K865 PolarHBondContact OD2-NZ 2.89Å
841	S	91.9	Very high	93.6	Very high	39 Å²	39	43.2 Å²	43.2	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-159.4	166.7	-174.6	50.8	0	0	0	0	111.5	A843 A844	S841-A843 PolarHBondContact O-N 3.47Å; S841-A844 WeakPolarHBondContact O-CB 3.18Å; S841-A844 PolarHBondContact O-N 2.85Å; S841-A844 VanDerWaalsContact O-N 3.11Å
842	D	88.3	Confident	93.7	Very high	81 Å²	81	38.3 Å²	38.3	43%	0.433	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.8	174.2	68.7	-28.3	0	0	0	114.1	F837 A844 Y867 R869	F837-D842 HydrophobicContact CD1-CB 4.37Å; F837-D842 HydrophobicContact CE1-CB 3.85Å; F837-D842 VanDerWaalsContact CE1-O 3.29Å; F837-D842 WeakPolarHBondContact CE1-O 3.15Å; F837-D842 HydrophobicContact CE2-CB 4.08Å; F837-D842 HydrophobicContact CZ-CB 3.7Å; D842-A844 VanDerWaalsContact C-N 3.3Å; D842-Y867 HydrophobicContact CB-CD1 4.45Å; D842-Y867 HydrophobicContact CB-CE1 4.04Å; D842-R869 IonicContact OD2-CZ 3.58Å; D842-R869 IonicContact OD2-NH1 2.65Å; D842-R869 PolarHBondContact OD2-NH1 3.35Å; D842-R869 IonicContact OD2-NH2 3.6Å
843	A	91.1	Very high	93.6	Very high	89 Å²	89	43.4 Å²	43.4	74%	0.736	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.8	168.3	0	0	0	0	0	113.7	S841	S841-A843 PolarHBondContact O-N 3.47Å
844	A	92.6	Very high	93.4	Very high	28 Å²	28	49.3 Å²	49.3	23%	0.231	29%	0.285	C	S	.	.	S	Bend	trans	-82.6	176.3	178.2	0	0	0	0	0	112.9	F837 S841 D842	F837-A844 HydrophobicContact CB-CB 4.31Å; S841-A844 WeakPolarHBondContact O-CB 3.18Å; S841-A844 PolarHBondContact O-N 2.85Å; S841-A844 VanDerWaalsContact O-N 3.11Å; D842-A844 VanDerWaalsContact C-N 3.3Å
845	A	92.5	Very high	93.3	Very high	67 Å²	67	53.1 Å²	53.1	55%	0.554	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.8	-179.4	0	0	0	0	0	111.5	F837 D838 L847	F837-A845 CarbonylContact C-O 3.58Å; F837-A845 WeakPolarHBondContact CA-O 3.5Å; D838-A845 PolarHBondContact N-O 3.37Å; A845-L847 PolarHBondContact O-N 2.9Å
846	I	92.9	Very high	93.2	Very high	98 Å²	98	53.8 Å²	53.8	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.6	177.6	-64.1	169.8	0	0	0	109.7	A836 F837	A836-I846 CarbonylContact O-C 3.55Å; A836-I846 WeakPolarHBondContact O-CA 3.43Å; F837-I846 HydrophobicContact CD1-CG1 3.65Å; F837-I846 HydrophobicContact CE1-CD1 3.97Å; F837-I846 HydrophobicContact CE1-CG1 3.4Å; F837-I846 VanDerWaalsContact CE1-CG1 3.4Å; F837-I846 HydrophobicContact CZ-CG1 4.17Å
847	L	93.1	Very high	93.1	Very high	59 Å²	59	60 Å²	60	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-34.6	171.4	-67.2	169.1	0	0	0	111.5	A836 D838 A845 M866	A836-L847 HydrophobicContact CB-CB 4.26Å; A836-L847 PolarHBondContact O-N 2.74Å; D838-L847 HydrophobicContact CB-CD1 4.18Å; D838-L847 HydrophobicContact CB-CD2 3.9Å; D838-L847 HydrophobicContact CB-CG 3.9Å; A845-L847 PolarHBondContact O-N 2.9Å; L847-M866 HydrophobicContact CD1-CE 3.74Å; L847-M866 HydrophobicContact CD1-CG 4.28Å; L847-M866 HydrophobicContact CD1-SD 4.26Å
848	G	91.1	Very high	93	Very high	17 Å²	17	63 Å²	63	18%	0.175	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	154	175.2	0	0	0	0	0	112.7	A836	A836-G848 PolarHBondContact N-O 2.79Å
849	R	95	Very high	93	Very high	113 Å²	113	62.6 Å²	62.6	43%	0.426	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	163	-177.2	-178.1	-71.6	-167.9	-4.4	107.9	C829 H833 L834 E835	C829-R849 HydrophobicContact CB-CG 3.88Å; C829-R849 VanDerWaalsContact O-CD 3.3Å; C829-R849 WeakPolarHBondContact O-CD 3.31Å; C829-R849 PolarHBondContact O-NH1 3Å; H833-R849 HydrophobicContact CB-CG 4.04Å; L834-R849 CarbonylContact O-C 3.59Å; L834-R849 WeakPolarHBondContact O-CA 3.23Å; E835-R849 HydrophobicContact CG-CG 4.25Å; E835-R849 IonicContact OE1-CZ 3.2Å; E835-R849 IonicContact OE1-NE 2.91Å; E835-R849 PolarHBondContact OE1-NE 3Å; E835-R849 IonicContact OE1-NH2 2.69Å; E835-R849 PolarHBondContact OE1-NH2 3.25Å
850	L	95.9	Very high	93.1	Very high	31 Å²	31	64.4 Å²	64.4	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.1	-164.4	-56.9	174.1	0	0	0	110.7	F818 F821 H833 L834 P856 L859	F818-L850 HydrophobicContact CE2-CD1 4Å; F818-L850 HydrophobicContact CZ-CD1 4.06Å; F821-L850 HydrophobicContact CE1-CB 4.47Å; F821-L850 HydrophobicContact CE2-CB 4.22Å; F821-L850 HydrophobicContact CZ-CB 3.61Å; H833-L850 WeakPolarHBondContact CA-O 3.49Å; L834-L850 HydrophobicContact CB-CB 4.5Å; L834-L850 PolarHBondContact N-O 3.16Å; L834-L850 PolarHBondContact O-N 3.06Å; L850-P856 HydrophobicContact CB-CG 4.47Å; L850-P856 HydrophobicContact CD1-CB 3.9Å; L850-P856 HydrophobicContact CD1-CG 3.84Å; L850-P856 HydrophobicContact CD2-CB 4.11Å; L850-P856 HydrophobicContact CD2-CG 4.29Å; L850-P856 HydrophobicContact CG-CG 4.44Å; L850-L859 HydrophobicContact CD1-CD1 3.92Å; L850-L859 HydrophobicContact CD1-CD2 4.47Å; L850-L859 HydrophobicContact CD1-CG 4.47Å
851	C	95.9	Very high	93.4	Very high	25 Å²	25	60.4 Å²	60.4	17%	0.169	34%	0.343	C	S	.	.			trans	-158	175.8	176.4	73.5	0	0	0	0	110.9	I823 E824 H826 C829 D832 H833	I823-C851 HydrophobicContact CG2-CB 4.19Å; E824-C851 VanDerWaalsContact O-CB 3.28Å; E824-C851 WeakPolarHBondContact O-CB 3.47Å; H826-C851 PolarHBondContact O-SG 3.33Å; H826-C851 VanDerWaalsContact O-SG 3.41Å; C829-C851 WeakPolarHBondContact CA-SG 3.47Å; C829-C851 HydrophobicContact CB-CB 3.62Å; C829-C851 WeakPolarHBondContact CB-SG 3.27Å; C829-C851 WeakPolarHBondContact SG-CB 3.46Å; C829-C851 PolarHBondContact SG-N 2.85Å; C829-C851 VanDerWaalsContact SG-N 3.41Å; C829-C851 CovalentContact SG-SG 2.04Å; C829-C851 PolarHBondContact SG-SG 3.2Å; D832-C851 WeakPolarHBondContact O-CB 3.22Å; H833-C851 HydrophobicContact CB-CB 4.33Å
852	G	94.6	Very high	93.2	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.021	35%	0.354	C	S	.	.	S	Bend	trans	78.6	-161.4	-174.6	0	0	0	0	0	114.3	F821 I823 E824	F821-G852 WeakPolarHBondContact CD1-O 3.27Å; F821-G852 WeakPolarHBondContact CE1-O 3.41Å; I823-G852 PolarHBondContact N-O 3.04Å; I823-G852 CarbonylContact O-C 3.39Å; I823-G852 WeakPolarHBondContact O-CA 3.44Å; I823-G852 PolarHBondContact O-N 3.28Å; E824-G852 PolarHBondContact O-N 3.32Å
853	N	93.1	Very high	93.3	Very high	108 Å²	108	59.8 Å²	59.8	58%	0.578	35%	0.346	S	S	*	.	S	Bend	trans	-117	13.6	-167.3	71.4	-27.5	0	0	0	115.2	F821 E822	F821-N853 CarbonylContact O-C 3.35Å; F821-N853 WeakPolarHBondContact O-CA 3.19Å; E822-N853 HydrophobicContact CG-CB 4.15Å
854	K	93.4	Very high	93.3	Very high	137 Å²	137	57.9 Å²	57.9	60%	0.596	32%	0.323	S	S	*	.	S	Bend	trans	-92.2	125.8	169.3	-169.9	-148	164.2	-161.7	0	107.8	F821 P856 E857	F821-K854 WeakPolarHBondContact CD1-O 3.43Å; K854-P856 VanDerWaalsContact O-CD 3.31Å; K854-P856 WeakPolarHBondContact O-CD 3.25Å; K854-E857 IonicContact NZ-OE1 3.39Å; K854-E857 PolarHBondContact NZ-OE1 3.04Å
855	I	94.1	Very high	93.4	Very high	82 Å²	82	59.6 Å²	59.6	42%	0.421	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-53	121.9	168.5	-61.8	177.1	0	0	0	108.9	F818 F821	F818-I855 HydrophobicContact CB-CG2 4.02Å; F818-I855 WeakPolarHBondContact O-CG2 3.4Å; F821-I855 HydrophobicContact CB-CG1 4.4Å
856	P	94.4	Very high	93.5	Very high	18 Å²	18	56.4 Å²	56.4	12%	0.117	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-67.3	154.7	177.6	-20.9	32.6	0	0	0	112.4	F818 F821 L850 K854	F818-P856 HydrophobicContact CD2-CB 3.78Å; F818-P856 HydrophobicContact CD2-CG 3.78Å; F818-P856 HydrophobicContact CE2-CB 3.98Å; F818-P856 HydrophobicContact CE2-CG 4Å; F818-P856 HydrophobicContact CG-CG 4.23Å; F821-P856 HydrophobicContact CD1-CG 4.08Å; F821-P856 HydrophobicContact CD2-CG 3.82Å; F821-P856 HydrophobicContact CE1-CG 4.1Å; F821-P856 HydrophobicContact CE2-CG 3.85Å; F821-P856 VanDerWaalsContact CG-CD 3.48Å; F821-P856 HydrophobicContact CG-CG 3.94Å; F821-P856 HydrophobicContact CZ-CG 3.99Å; L850-P856 HydrophobicContact CB-CG 4.47Å; L850-P856 HydrophobicContact CD1-CB 3.9Å; L850-P856 HydrophobicContact CD1-CG 3.84Å; L850-P856 HydrophobicContact CD2-CB 4.11Å; L850-P856 HydrophobicContact CD2-CG 4.29Å; L850-P856 HydrophobicContact CG-CG 4.44Å; K854-P856 VanDerWaalsContact O-CD 3.31Å; K854-P856 WeakPolarHBondContact O-CD 3.25Å
857	E	93.3	Very high	93.7	Very high	130 Å²	130	53.4 Å²	53.4	61%	0.607	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-64	148.2	166.3	-51.7	-55.3	144	0	0	109.7	K854 L859	K854-E857 IonicContact NZ-OE1 3.39Å; K854-E857 PolarHBondContact NZ-OE1 3.04Å; E857-L859 PolarHBondContact O-N 2.73Å
858	P	94.8	Very high	93.8	Very high	68 Å²	68	50.6 Å²	50.6	44%	0.442	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-58.4	125.9	-178.8	-25.9	35.1	0	0	0	112.8	I816 A817	I816-P858 CarbonylContact O-C 3.54Å; I816-P858 VanDerWaalsContact O-CA 3.23Å; I816-P858 WeakPolarHBondContact O-CA 3.47Å; A817-P858 HydrophobicContact CB-CB 4.35Å; A817-P858 HydrophobicContact CB-CG 4.4Å
859	L	95.1	Very high	94	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.115	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	140.6	177.1	-56.8	179.2	0	0	0	109.6	K815 I816 F818 A836 L850 E857 M866	K815-L859 CarbonylContact C-O 3.59Å; K815-L859 WeakPolarHBondContact CA-O 3.41Å; I816-L859 HydrophobicContact CB-CB 4.4Å; I816-L859 PolarHBondContact N-O 2.93Å; I816-L859 PolarHBondContact O-N 2.67Å; F818-L859 HydrophobicContact CE2-CD1 4.3Å; F818-L859 HydrophobicContact CE2-CG 4.35Å; A836-L859 HydrophobicContact CB-CD1 3.45Å; A836-L859 VanDerWaalsContact CB-CD1 3.45Å; L850-L859 HydrophobicContact CD1-CD1 3.92Å; L850-L859 HydrophobicContact CD1-CD2 4.47Å; L850-L859 HydrophobicContact CD1-CG 4.47Å; E857-L859 PolarHBondContact O-N 2.73Å; L859-M866 HydrophobicContact CB-CE 4.5Å
860	V	93.6	Very high	94	Very high	52 Å²	52	46.1 Å²	46.1	32%	0.315	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.7	176	-169	0	0	0	0	109.2	R813 V814 K815	R813-V860 HydrophobicContact CB-CG1 4.01Å; V814-V860 WeakPolarHBondContact O-CA 3.15Å; K815-V860 HydrophobicContact CB-CG2 4.15Å; K815-V860 HydrophobicContact CD-CG2 4.33Å; K815-V860 HydrophobicContact CG-CG2 4.04Å
861	S	94	Very high	93.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	25%	0.248	C	C	.	.			trans	-71	161.6	174.8	60.2	0	0	0	0	111.5	R813 V814 D838 G863 K865 M866	R813-S861 WeakPolarHBondContact CD-O 3.33Å; R813-S861 VanDerWaalsContact CG-O 3.27Å; R813-S861 WeakPolarHBondContact CG-O 3.39Å; V814-S861 PolarHBondContact N-OG 2.79Å; V814-S861 PolarHBondContact O-N 3.35Å; V814-S861 PolarHBondContact O-OG 2.57Å; D838-S861 WeakPolarHBondContact OD1-CA 2.88Å; D838-S861 WeakPolarHBondContact OD1-CB 3.29Å; S861-G863 WeakPolarHBondContact CB-O 3.46Å; S861-G863 PolarHBondContact OG-O 2.83Å; S861-K865 WeakPolarHBondContact CB-O 3.22Å; S861-M866 VanDerWaalsContact N-CE 3.34Å
862	T	89.3	Confident	93.8	Very high	82 Å²	82	46 Å²	46	50%	0.503	24%	0.243	S	C	.	.	S	Bend	trans	-86.3	-32.2	167.3	64	0	0	0	0	112	D838	D838-T862 VanDerWaalsContact CG-N 3.35Å; D838-T862 PolarHBondContact OD1-N 3.49Å; D838-T862 PolarHBondContact OD1-OG1 3.21Å; D838-T862 VanDerWaalsContact OD2-CB 3.31Å; D838-T862 WeakPolarHBondContact OD2-CB 3.33Å; D838-T862 VanDerWaalsContact OD2-CG2 3.28Å; D838-T862 WeakPolarHBondContact OD2-CG2 3.42Å; D838-T862 PolarHBondContact OD2-N 3.35Å; D838-T862 PolarHBondContact OD2-OG1 2.83Å
863	G	89.4	Confident	93.7	Very high	26 Å²	26	48.4 Å²	48.4	27%	0.268	26%	0.255	S	S	.	.	S	Bend	trans	-100.3	179.2	176	0	0	0	0	0	114.3	H812 D838 S861 K865	H812-G863 CarbonylContact O-C 3.56Å; D838-G863 PolarHBondContact OD1-N 3.17Å; S861-G863 WeakPolarHBondContact CB-O 3.46Å; S861-G863 PolarHBondContact OG-O 2.83Å; G863-K865 PolarHBondContact O-N 3.45Å; G863-K865 VanDerWaalsContact O-N 3.15Å
864	N	92.1	Very high	93.5	Very high	48 Å²	48	45.7 Å²	45.7	26%	0.257	25%	0.248	S	C	.	.	S	Bend	trans	-80.5	18.5	178.5	74.6	-73.1	0	0	0	114.1	A808 H812	A808-N864 PolarHBondContact N-O 2.88Å; A808-N864 PolarHBondContact O-ND2 3.02Å; H812-N864 WeakPolarHBondContact O-CA 3.41Å; H812-N864 VanDerWaalsContact O-CB 3.26Å; H812-N864 WeakPolarHBondContact O-CB 3.45Å; H812-N864 PolarHBondContact O-N 3.06Å
865	K	93.5	Very high	93.1	Very high	64 Å²	64	41.9 Å²	41.9	28%	0.278	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.9	176	-62.2	-162.1	-176.3	-177.9	0	110.5	I806 T807 G839 D840 S861 G863	I806-K865 CarbonylContact O-C 3.23Å; I806-K865 VanDerWaalsContact O-CA 3.29Å; I806-K865 WeakPolarHBondContact O-CA 3.5Å; T807-K865 HydrophobicContact CG2-CG 4.32Å; G839-K865 CarbonylContact O-C 3.55Å; D840-K865 HydrophobicContact CB-CD 3.6Å; D840-K865 IonicContact OD2-NZ 3.77Å; D840-K865 PolarHBondContact OD2-NZ 2.89Å; S861-K865 WeakPolarHBondContact CB-O 3.22Å; G863-K865 PolarHBondContact O-N 3.45Å; G863-K865 VanDerWaalsContact O-N 3.15Å
866	M	95.4	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.4	167.1	-172.3	-175.6	-64.5	0	0	108.8	I806 V814 I816 F837 G839 L847 L859 S861 L868	I806-M866 WeakPolarHBondContact CB-O 3.27Å; I806-M866 PolarHBondContact N-O 2.98Å; I806-M866 PolarHBondContact O-N 2.81Å; V814-M866 HydrophobicContact CB-CB 3.85Å; V814-M866 HydrophobicContact CB-CE 4.13Å; V814-M866 HydrophobicContact CG1-CB 3.88Å; V814-M866 HydrophobicContact CG1-CE 4.1Å; V814-M866 HydrophobicContact CG1-SD 4.28Å; V814-M866 HydrophobicContact CG2-CB 4.22Å; V814-M866 VanDerWaalsContact O-CE 3.28Å; V814-M866 WeakPolarHBondContact O-CE 3.46Å; I816-M866 HydrophobicContact CD1-SD 4.29Å; I816-M866 HydrophobicContact CG1-CE 4.24Å; I816-M866 HydrophobicContact CG1-SD 3.53Å; I816-M866 VanDerWaalsContact CG1-SD 3.53Å; F837-M866 WeakPolarHBondContact O-CA 3.21Å; F837-M866 WeakPolarHBondContact O-CG 3.49Å; G839-M866 CarbonylContact O-C 3.59Å; G839-M866 VanDerWaalsContact O-C 3.25Å; G839-M866 WeakPolarHBondContact O-CA 3.25Å; G839-M866 PolarHBondContact O-N 2.99Å; L847-M866 HydrophobicContact CD1-CE 3.74Å; L847-M866 HydrophobicContact CD1-CG 4.28Å; L847-M866 HydrophobicContact CD1-SD 4.26Å; L859-M866 HydrophobicContact CB-CE 4.5Å; S861-M866 VanDerWaalsContact N-CE 3.34Å; M866-L868 HydrophobicContact CG-CD2 4.1Å; M866-L868 HydrophobicContact SD-CD2 3.74Å
867	Y	96.3	Very high	92.6	Very high	36 Å²	36	42 Å²	42	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.8	174.1	178.3	-101.4	0	0	0	108.8	T803 W804 F837 G839 D842 R869	T803-Y867 WeakPolarHBondContact CG2-OH 3.41Å; W804-Y867 WeakPolarHBondContact O-CA 3.48Å; F837-Y867 HydrophobicContact CB-CD1 4.43Å; F837-Y867 AromaticContact CD2-CD1 3.72Å; F837-Y867 HydrophobicContact CD2-CD1 3.72Å; F837-Y867 HydrophobicContact CD2-CE1 4.38Å; F837-Y867 WeakPolarHBondContact CD2-O 3.46Å; F837-Y867 HydrophobicContact CE2-CD1 4.27Å; F837-Y867 HydrophobicContact CE2-CE1 4.5Å; F837-Y867 HydrophobicContact CG-CD1 4.28Å; F837-Y867 PolarHBondContact N-O 2.88Å; F837-Y867 PolarHBondContact O-N 2.82Å; G839-Y867 PolarHBondContact O-N 2.89Å; G839-Y867 VanDerWaalsContact O-N 3.13Å; D842-Y867 HydrophobicContact CB-CD1 4.45Å; D842-Y867 HydrophobicContact CB-CE1 4.04Å; Y867-R869 HydrophobicContact CE1-CB 4.24Å
868	L	96.1	Very high	92.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.3	176.1	-56.2	-179.9	0	0	0	109.9	L787 T803 W804 I806 I816 L834 E835 A836 M866	L787-L868 HydrophobicContact CD1-CD1 4.32Å; L787-L868 HydrophobicContact CD2-CD1 3.92Å; T803-L868 CarbonylContact C-O 3.57Å; T803-L868 VanDerWaalsContact CA-O 3.22Å; T803-L868 WeakPolarHBondContact CA-O 3.45Å; W804-L868 HydrophobicContact CB-CB 4.16Å; W804-L868 HydrophobicContact CB-CD1 4.47Å; W804-L868 HydrophobicContact CD2-CB 4.49Å; W804-L868 HydrophobicContact CE3-CB 3.85Å; W804-L868 PolarHBondContact N-O 3.19Å; W804-L868 PolarHBondContact O-N 2.93Å; I806-L868 HydrophobicContact CD1-CD1 3.9Å; I806-L868 HydrophobicContact CD1-CG 4.25Å; I816-L868 HydrophobicContact CD1-CD1 4.23Å; I816-L868 HydrophobicContact CG1-CD1 4.28Å; L834-L868 HydrophobicContact CD1-CB 4.43Å; E835-L868 WeakPolarHBondContact O-CA 3.28Å; A836-L868 HydrophobicContact CB-CD2 3.47Å; A836-L868 VanDerWaalsContact CB-CD2 3.47Å; M866-L868 HydrophobicContact CG-CD2 4.1Å; M866-L868 HydrophobicContact SD-CD2 3.74Å
869	R	95.1	Very high	92.3	Very high	36 Å²	36	41.5 Å²	41.5	14%	0.136	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	116.1	171.9	175.2	170.5	60.3	-156.8	-2.1	110.9	E801 C802 T803 E835 F837 D842 Y867 I871	E801-R869 HydrophobicContact CG-CG 4.27Å; E801-R869 WeakPolarHBondContact OE1-CD 3.42Å; E801-R869 IonicContact OE1-NH1 3.76Å; C802-R869 CarbonylContact O-C 3.55Å; C802-R869 WeakPolarHBondContact O-CA 3.29Å; T803-R869 HydrophobicContact CG2-CB 4.47Å; T803-R869 HydrophobicContact CG2-CG 4.36Å; E835-R869 PolarHBondContact N-O 3.49Å; E835-R869 PolarHBondContact O-N 2.9Å; E835-R869 IonicContact OE2-CZ 3.38Å; E835-R869 IonicContact OE2-NE 3.13Å; E835-R869 PolarHBondContact OE2-NE 2.95Å; E835-R869 VanDerWaalsContact OE2-NE 3.13Å; E835-R869 IonicContact OE2-NH2 2.77Å; E835-R869 PolarHBondContact OE2-NH2 2.8Å; F837-R869 HydrophobicContact CE2-CB 4.27Å; D842-R869 IonicContact OD2-CZ 3.58Å; D842-R869 IonicContact OD2-NH1 2.65Å; D842-R869 PolarHBondContact OD2-NH1 3.35Å; D842-R869 IonicContact OD2-NH2 3.6Å; Y867-R869 HydrophobicContact CE1-CB 4.24Å; R869-I871 HydrophobicContact CG-CD1 4.21Å; R869-I871 HydrophobicContact CG-CG1 3.86Å
870	F	95.5	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.7	168.6	175.2	-116.2	0	0	0	109.7	Y796 E801 C802 W804 I823 H833 L834 F881	Y796-F870 HydrophobicContact CD1-CE1 4.49Å; Y796-F870 AromaticContact CD1-CZ 3.84Å; Y796-F870 HydrophobicContact CD1-CZ 3.84Å; Y796-F870 HydrophobicContact CD2-CE1 4.18Å; Y796-F870 AromaticContact CD2-CZ 3.74Å; Y796-F870 HydrophobicContact CD2-CZ 3.74Å; Y796-F870 HydrophobicContact CE1-CZ 4.06Å; Y796-F870 AromaticContact CE2-CZ 3.96Å; Y796-F870 HydrophobicContact CE2-CZ 3.96Å; Y796-F870 HydrophobicContact CG-CE1 4.04Å; Y796-F870 AromaticContact CG-CZ 3.7Å; Y796-F870 HydrophobicContact CG-CZ 3.7Å; E801-F870 CarbonylContact C-O 3.36Å; E801-F870 WeakPolarHBondContact CA-O 3.35Å; C802-F870 HydrophobicContact CB-CB 4.47Å; C802-F870 PolarHBondContact N-O 3.34Å; C802-F870 PolarHBondContact O-N 2.96Å; W804-F870 HydrophobicContact CH2-CB 3.96Å; W804-F870 HydrophobicContact CZ3-CB 3.73Å; I823-F870 HydrophobicContact CD1-CD2 4.26Å; I823-F870 HydrophobicContact CD1-CE2 3.99Å; I823-F870 HydrophobicContact CG1-CE2 4.41Å; I823-F870 HydrophobicContact CG2-CE2 4.38Å; H833-F870 VanDerWaalsContact O-CD2 3.31Å; H833-F870 WeakPolarHBondContact O-CD2 3.48Å; L834-F870 HydrophobicContact CB-CD2 4.43Å; L834-F870 HydrophobicContact CD1-CB 4.04Å; F870-F881 HydrophobicContact CB-CE1 4.15Å; F870-F881 HydrophobicContact CB-CZ 4.38Å; F870-F881 AromaticContact CD2-CE1 3.86Å; F870-F881 HydrophobicContact CD2-CE1 3.86Å; F870-F881 HydrophobicContact CE2-CE1 4.48Å; F870-F881 AromaticContact CG-CE1 3.96Å; F870-F881 HydrophobicContact CG-CE1 3.96Å
871	I	93.9	Very high	92.3	Very high	47 Å²	47	38 Å²	38	24%	0.241	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.5	176.1	-55.4	-178.2	0	0	0	108.9	K800 E801 D832 H833 R869	K800-I871 CarbonylContact O-C 3.37Å; K800-I871 WeakPolarHBondContact O-CA 3.3Å; E801-I871 HydrophobicContact CG-CG1 4.45Å; D832-I871 WeakPolarHBondContact CA-O 3.29Å; H833-I871 PolarHBondContact N-O 2.93Å; H833-I871 PolarHBondContact O-N 2.88Å; R869-I871 HydrophobicContact CG-CD1 4.21Å; R869-I871 HydrophobicContact CG-CG1 3.86Å
872	S	94.1	Very high	92.3	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	22%	0.217	C	C	.	.			trans	-123	148.1	168.9	70.7	0	0	0	0	113.9	P797 R799 K800 D832	P797-S872 WeakPolarHBondContact O-CB 3.36Å; P797-S872 PolarHBondContact O-OG 3.33Å; R799-S872 VanDerWaalsContact CA-O 3.25Å; R799-S872 WeakPolarHBondContact CA-O 3.1Å; R799-S872 PolarHBondContact N-O 2.82Å; R799-S872 PolarHBondContact N-OG 2.94Å; K800-S872 PolarHBondContact N-OG 3.26Å; K800-S872 PolarHBondContact O-N 3.43Å; D832-S872 WeakPolarHBondContact OD1-CA 3.41Å; D832-S872 VanDerWaalsContact OD1-CB 3.23Å; D832-S872 WeakPolarHBondContact OD1-CB 3.43Å
873	D	90.4	Very high	92.5	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	19%	0.193	S	C	.	.			trans	-86.5	-177.4	-177.2	157.5	-67.8	0	0	0	111.2	S798 R799 D832 S875 Q877	S798-D873 CarbonylContact C-O 3.49Å; S798-D873 VanDerWaalsContact CA-O 3.24Å; S798-D873 WeakPolarHBondContact CA-O 3.28Å; S798-D873 VanDerWaalsContact CB-O 3.23Å; S798-D873 WeakPolarHBondContact CB-O 3.34Å; R799-D873 PolarHBondContact N-O 3.04Å; D832-D873 PolarHBondContact OD1-N 2.79Å; D873-S875 PolarHBondContact O-N 3.26Å; D873-S875 PolarHBondContact OD1-N 3.35Å; D873-S875 PolarHBondContact OD1-OG 2.91Å; D873-Q877 PolarHBondContact O-NE2 2.98Å
874	A	89.3	Confident	92.8	Very high	51 Å²	51	37.8 Å²	37.8	42%	0.421	20%	0.198	S	C	.	.	S	Bend	trans	-69.8	-5.9	175.3	0	0	0	0	0	115.4	R799	R799-A874 HydrophobicContact CG-CB 4.41Å
875	S	85.7	Confident	92.9	Very high	56 Å²	56	35.8 Å²	35.8	39%	0.392	19%	0.187	S	C	.	.	S	Bend	trans	-154.2	171.7	-163.7	58	0	0	0	0	114.8	D873 Q877	D873-S875 PolarHBondContact O-N 3.26Å; D873-S875 PolarHBondContact OD1-N 3.35Å; D873-S875 PolarHBondContact OD1-OG 2.91Å; S875-Q877 VanDerWaalsContact C-OE1 3.27Å; S875-Q877 PolarHBondContact O-N 2.88Å; S875-Q877 PolarHBondContact O-NE2 3Å
876	V	88	Confident	92.9	Very high	66 Å²	66	34.4 Å²	34.4	40%	0.4	19%	0.185	S	C	.	.			trans	61.1	28.3	169.5	-157.2	0	0	0	0	117.3	E824 R878	E824-V876 VanDerWaalsContact CD-CB 3.46Å; E824-V876 HydrophobicContact CG-CB 4.19Å; E824-V876 HydrophobicContact CG-CG1 3.93Å; E824-V876 VanDerWaalsContact OE1-CB 3.27Å; E824-V876 WeakPolarHBondContact OE1-CB 3.14Å; E824-V876 VanDerWaalsContact OE1-CG1 3.3Å; E824-V876 WeakPolarHBondContact OE1-CG1 3.26Å; E824-V876 WeakPolarHBondContact OE1-CG2 3.5Å; V876-R878 PolarHBondContact O-N 3.3Å
877	Q	90.8	Very high	92.8	Very high	37 Å²	37	35.5 Å²	35.5	17%	0.173	19%	0.192	C	C	.	.			trans	-51	133.9	179.8	-69.5	59.4	48.7	0	0	113.8	K795 Y796 S798 D873 S875	K795-Q877 HydrophobicContact CB-CB 4.31Å; K795-Q877 WeakPolarHBondContact CD-O 3.4Å; K795-Q877 WeakPolarHBondContact CE-O 3.33Å; K795-Q877 PolarHBondContact NZ-O 2.99Å; Y796-Q877 HydrophobicContact CD2-CB 4.22Å; Y796-Q877 HydrophobicContact CD2-CG 3.99Å; Y796-Q877 HydrophobicContact CE2-CB 4.11Å; Y796-Q877 HydrophobicContact CE2-CG 4.06Å; Y796-Q877 VanDerWaalsContact O-CB 3.29Å; Y796-Q877 WeakPolarHBondContact O-CB 3.23Å; Y796-Q877 WeakPolarHBondContact O-CG 3.42Å; S798-Q877 VanDerWaalsContact CB-NE2 3.29Å; D873-Q877 PolarHBondContact O-NE2 2.98Å; S875-Q877 VanDerWaalsContact C-OE1 3.27Å; S875-Q877 PolarHBondContact O-N 2.88Å; S875-Q877 PolarHBondContact O-NE2 3Å
878	R	92.7	Very high	92.5	Very high	91 Å²	91	36.8 Å²	36.8	34%	0.343	20%	0.199	S	C	.	.			trans	-117.2	-179.1	177	-59	-49.6	-169.9	117	-1.6	111.2	K795 Y796 E822 V876 G880	K795-R878 CarbonylContact C-O 3.51Å; K795-R878 WeakPolarHBondContact CA-O 3.17Å; Y796-R878 WeakPolarHBondContact CD1-O 3.49Å; Y796-R878 HydrophobicContact CE1-CB 3.84Å; Y796-R878 WeakPolarHBondContact CE1-O 3.43Å; Y796-R878 VanDerWaalsContact CZ-N 3.3Å; Y796-R878 PolarHBondContact N-O 3.14Å; Y796-R878 PolarHBondContact OH-N 2.9Å; E822-R878 HydrophobicContact CB-CB 4.44Å; E822-R878 HydrophobicContact CG-CB 3.98Å; E822-R878 HydrophobicContact CG-CG 4.28Å; E822-R878 WeakPolarHBondContact O-CB 3.29Å; E822-R878 WeakPolarHBondContact OE1-CD 3.46Å; E822-R878 IonicContact OE1-CZ 3.69Å; E822-R878 IonicContact OE1-NE 3.92Å; E822-R878 IonicContact OE1-NH1 2.72Å; E822-R878 PolarHBondContact OE1-NH1 2.8Å; V876-R878 PolarHBondContact O-N 3.3Å; R878-G880 PolarHBondContact O-N 2.69Å
879	K	89.3	Confident	92.2	Very high	96 Å²	96	38.2 Å²	38.2	42%	0.417	21%	0.209	S	C	.	.			trans	-63.4	-19.4	179.6	-63.9	-179.3	-179.5	-179.2	0	114.1	S789 E822	S789-K879 PolarHBondContact OG-O 2.82Å; E822-K879 HydrophobicContact CB-CB 4.4Å; E822-K879 WeakPolarHBondContact OE2-CG 3.37Å
880	G	93.2	Very high	91.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.2	-137	-174.2	0	0	0	0	0	111.6	S789 Y796 E822 R878	S789-G880 VanDerWaalsContact OG-CA 3.3Å; S789-G880 WeakPolarHBondContact OG-CA 3.46Å; Y796-G880 VanDerWaalsContact CD1-CA 3.42Å; E822-G880 CarbonylContact C-O 3.52Å; E822-G880 PolarHBondContact N-O 3Å; E822-G880 VanDerWaalsContact O-CA 3.24Å; E822-G880 WeakPolarHBondContact O-CA 3.1Å; E822-G880 PolarHBondContact O-N 2.83Å; R878-G880 PolarHBondContact O-N 2.69Å
881	F	94.4	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155	-169.3	61.3	-94.3	0	0	0	112.9	L787 S788 S789 W792 W804 F818 E820 F821 I823 L834 F870	L787-F881 HydrophobicContact CD1-CD2 4.28Å; L787-F881 HydrophobicContact CD1-CE2 3.72Å; S788-F881 CarbonylContact C-O 3.57Å; S788-F881 WeakPolarHBondContact CA-O 3.18Å; S788-F881 WeakPolarHBondContact CB-O 3.16Å; S789-F881 PolarHBondContact N-O 3.37Å; S789-F881 PolarHBondContact OG-N 2.82Å; S789-F881 PolarHBondContact OG-O 3.03Å; W792-F881 VanDerWaalsContact CD1-C 3.48Å; W804-F881 AromaticContact CH2-CZ 3.77Å; W804-F881 HydrophobicContact CH2-CZ 3.77Å; W804-F881 HydrophobicContact CZ2-CZ 4.32Å; W804-F881 HydrophobicContact CZ3-CZ 4.19Å; F818-F881 HydrophobicContact CD1-CB 4.2Å; F818-F881 HydrophobicContact CE1-CB 4.43Å; F818-F881 HydrophobicContact CE1-CD2 4.19Å; F818-F881 HydrophobicContact CE1-CG 4.37Å; E820-F881 CarbonylContact O-C 3.58Å; E820-F881 WeakPolarHBondContact O-CA 3.37Å; E820-F881 WeakPolarHBondContact O-CB 3.38Å; F821-F881 HydrophobicContact CD2-CB 3.7Å; F821-F881 HydrophobicContact CE2-CB 4.28Å; I823-F881 HydrophobicContact CD1-CD1 4Å; L834-F881 HydrophobicContact CB-CE1 4.47Å; L834-F881 HydrophobicContact CD1-CE1 4.16Å; L834-F881 HydrophobicContact CD1-CZ 4.03Å; L834-F881 HydrophobicContact CD2-CD1 4.24Å; L834-F881 HydrophobicContact CD2-CE1 4.02Å; L834-F881 HydrophobicContact CD2-CE2 4.37Å; L834-F881 HydrophobicContact CD2-CZ 4.09Å; L834-F881 HydrophobicContact CG-CE1 4.46Å; F870-F881 HydrophobicContact CB-CE1 4.15Å; F870-F881 HydrophobicContact CB-CZ 4.38Å; F870-F881 AromaticContact CD2-CE1 3.86Å; F870-F881 HydrophobicContact CD2-CE1 3.86Å; F870-F881 HydrophobicContact CE2-CE1 4.48Å; F870-F881 AromaticContact CG-CE1 3.96Å; F870-F881 HydrophobicContact CG-CE1 3.96Å
882	Q	94.3	Very high	91.1	Very high	53 Å²	53	43.8 Å²	43.8	25%	0.248	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140	158.5	-177.1	-169.9	63	0	0	108	W792 F818 S819 E820	W792-Q882 HydrophobicContact CD2-CB 3.91Å; W792-Q882 HydrophobicContact CE3-CB 4.46Å; W792-Q882 HydrophobicContact CG-CB 4.33Å; W792-Q882 HydrophobicContact CH2-CB 4.41Å; W792-Q882 HydrophobicContact CH2-CG 4.49Å; W792-Q882 VanDerWaalsContact CH2-NE2 3.3Å; W792-Q882 HydrophobicContact CZ2-CB 3.84Å; W792-Q882 HydrophobicContact CZ2-CG 4.38Å; W792-Q882 VanDerWaalsContact CZ3-NE2 3.26Å; F818-Q882 WeakPolarHBondContact CA-O 3.42Å; S819-Q882 PolarHBondContact N-O 3.08Å; S819-Q882 WeakPolarHBondContact OG-CB 3.36Å; S819-Q882 WeakPolarHBondContact OG-CG 3.37Å; S819-Q882 PolarHBondContact OG-O 3.31Å; S819-Q882 VanDerWaalsContact OG-O 3.14Å; S819-Q882 PolarHBondContact OG-OE1 2.79Å; E820-Q882 HydrophobicContact CB-CB 4.34Å; E820-Q882 PolarHBondContact N-O 2.83Å; E820-Q882 PolarHBondContact O-N 2.8Å
883	A	94	Very high	91	Very high	1 Å²	1	44 Å²	44	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.9	174.8	0	0	0	0	0	110.8	T786 L787 I816 A817 F818	T786-A883 WeakPolarHBondContact CA-O 3.03Å; L787-A883 HydrophobicContact CD1-CB 3.94Å; L787-A883 HydrophobicContact CG-CB 4.45Å; L787-A883 PolarHBondContact N-O 3.18Å; L787-A883 PolarHBondContact O-N 2.95Å; I816-A883 HydrophobicContact CG2-CB 3.68Å; A817-A883 CarbonylContact O-C 3.54Å; A817-A883 WeakPolarHBondContact O-CA 3.45Å; A817-A883 WeakPolarHBondContact O-CB 3.39Å; F818-A883 HydrophobicContact CD1-CB 3.74Å; F818-A883 HydrophobicContact CE1-CB 4.07Å; F818-A883 HydrophobicContact CG-CB 4.24Å
884	S	94.5	Very high	91	Very high	52 Å²	52	46.6 Å²	46.6	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.7	158	54.6	0	0	0	0	110	G785 I816 A817	G785-S884 CarbonylContact O-C 3.53Å; G785-S884 VanDerWaalsContact O-CA 3.28Å; G785-S884 WeakPolarHBondContact O-CA 3.45Å; I816-S884 WeakPolarHBondContact CA-O 3.15Å; A817-S884 PolarHBondContact N-O 3.32Å; A817-S884 PolarHBondContact O-N 2.84Å
885	H	94.8	Very high	91	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.8	162	78.2	-92.4	0	0	0	109.4	I780 S782 S784 G785 L787 K815 I816	I780-H885 VanDerWaalsContact CG2-CE1 3.41Å; I780-H885 WeakPolarHBondContact CG2-CE1 3.33Å; I780-H885 WeakPolarHBondContact CG2-NE2 3.44Å; S782-H885 PolarHBondContact O-NE2 3.44Å; S782-H885 VanDerWaalsContact O-NE2 3.13Å; S782-H885 PolarHBondContact OG-CE1 2.96Å; S782-H885 PolarHBondContact OG-NE2 2.68Å; S782-H885 VanDerWaalsContact OG-NE2 3.15Å; S784-H885 VanDerWaalsContact C-CE1 3.43Å; S784-H885 CarbonylContact C-O 3.55Å; S784-H885 WeakPolarHBondContact CA-O 3.46Å; S784-H885 WeakPolarHBondContact CB-O 3.34Å; S784-H885 PolarHBondContact O-CE1 3.42Å; S784-H885 PolarHBondContact O-NE2 2.97Å; G785-H885 VanDerWaalsContact CA-CE1 3.4Å; G785-H885 WeakPolarHBondContact CA-CE1 3.36Å; G785-H885 PolarHBondContact N-CE1 2.87Å; G785-H885 VanDerWaalsContact N-CE1 3.3Å; G785-H885 PolarHBondContact N-O 3.48Å; G785-H885 PolarHBondContact O-N 2.87Å; L787-H885 HydrophobicContact CD2-CB 4.3Å; K815-H885 CarbonylContact O-C 3.48Å; K815-H885 VanDerWaalsContact O-CA 3.31Å; K815-H885 WeakPolarHBondContact O-CA 3.34Å; I816-H885 HydrophobicContact CD1-CB 3.63Å
886	S	93.9	Very high	91.2	Very high	34 Å²	34	43.9 Å²	43.9	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	153	174.5	65.8	0	0	0	0	111.6	P783 K815	P783-S886 CarbonylContact O-C 3.42Å; K815-S886 PolarHBondContact N-O 3.03Å; K815-S886 PolarHBondContact O-N 2.75Å
887	T	92.6	Very high	91.1	Very high	24 Å²	24	45 Å²	45	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.9	172.1	-58.3	0	0	0	0	108.9	P783 A808 H812 R813	P783-T887 WeakPolarHBondContact CA-OG1 3.33Å; P783-T887 WeakPolarHBondContact O-CB 3.5Å; P783-T887 PolarHBondContact O-N 3.26Å; P783-T887 PolarHBondContact O-OG1 2.87Å; A808-T887 HydrophobicContact CB-CG2 3.89Å; H812-T887 HydrophobicContact CB-CG2 3.35Å; R813-T887 CarbonylContact O-C 3.55Å; R813-T887 WeakPolarHBondContact O-CA 3.34Å
888	E	90	Very high	90.9	Very high	62 Å²	62	46.2 Å²	46.2	29%	0.29	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.5	174.7	-72.7	-71.3	172.5	0	0	110.2	H812 R813 K815	H812-E888 WeakPolarHBondContact CB-O 3.32Å; R813-E888 PolarHBondContact N-O 2.69Å; R813-E888 PolarHBondContact O-N 2.82Å; K815-E888 HydrophobicContact CB-CG 3.62Å; K815-E888 HydrophobicContact CD-CG 3.46Å; K815-E888 VanDerWaalsContact CD-CG 3.46Å; K815-E888 WeakPolarHBondContact CD-OE1 3.28Å; K815-E888 WeakPolarHBondContact CE-OE1 3.43Å; K815-E888 HydrophobicContact CG-CG 4.24Å; K815-E888 IonicContact NZ-OE1 3.4Å; K815-E888 PolarHBondContact NZ-OE1 3.37Å
889	C	90.1	Very high	90.8	Very high	30 Å²	30	46.9 Å²	46.9	20%	0.203	25%	0.25	C	S	.	.			trans	-81.1	176.1	173.3	70.2	0	0	0	0	112	R813 C919 W921	R813-C889 PolarHBondContact NH2-O 2.94Å; C889-C919 HydrophobicContact CB-CB 3.71Å; C889-C919 WeakPolarHBondContact CB-SG 3.44Å; C889-C919 VanDerWaalsContact SG-CA 3.54Å; C889-C919 WeakPolarHBondContact SG-CB 3.32Å; C889-C919 CovalentContact SG-SG 2.03Å; C889-C919 PolarHBondContact SG-SG 3.18Å; C889-W921 HydrophobicContact CB-CZ2 4.07Å
890	G	86.9	Confident	90.9	Very high	2 Å²	2	45 Å²	45	2%	0.021	24%	0.243	C	C	.	.			trans	67.2	-178.4	-174.7	0	0	0	0	0	114.3	R813 E920 W921	R813-G890 PolarHBondContact NE-O 3.37Å; G890-E920 CarbonylContact C-O 3.51Å; G890-E920 WeakPolarHBondContact CA-O 3.2Å; G890-W921 VanDerWaalsContact C-CD1 3.44Å; G890-W921 VanDerWaalsContact CA-CD1 3.42Å
891	G	86.8	Confident	90.9	Very high	12 Å²	12	47.4 Å²	47.4	12%	0.124	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-175.9	176.5	0	0	0	0	0	114.3	E920 W921 L922	G891-E920 PolarHBondContact N-O 2.89Å; G891-W921 CarbonylContact O-C 3.52Å; G891-W921 WeakPolarHBondContact O-CA 3.44Å; G891-L922 PolarHBondContact O-N 3.46Å
892	R	88.4	Confident	90.9	Very high	186 Å²	186	47.4 Å²	47.4	70%	0.702	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.7	172.7	-71.4	-173	171.8	-154.1	-5.9	109.4	L922	R892-L922 WeakPolarHBondContact CA-O 3.35Å; R892-L922 HydrophobicContact CG-CB 4.33Å; R892-L922 HydrophobicContact CG-CD2 4.32Å
893	L	91.1	Very high	90.9	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.068	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.9	-174.3	-53.7	177.2	0	0	0	110.5	L902 L922 L923 T924	L893-L902 HydrophobicContact CD1-CD1 4.26Å; L893-L922 PolarHBondContact N-O 2.77Å; L893-L923 HydrophobicContact CB-CD2 3.75Å; L893-L923 HydrophobicContact CD1-CD2 3.87Å; L893-L923 HydrophobicContact CG-CD2 4.28Å; L893-L923 WeakPolarHBondContact O-CA 3.46Å; L893-T924 PolarHBondContact O-N 2.64Å
894	K	89.6	Confident	90.8	Very high	105 Å²	105	46.9 Å²	46.9	46%	0.457	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.2	176.3	-168	-180	179.7	-173.1	0	111.3	K900 T924 E926	K894-K900 PolarHBondContact O-NZ 2.85Å; K894-T924 CarbonylContact C-O 3.47Å; K894-T924 WeakPolarHBondContact CA-O 3.44Å; K894-E926 IonicContact NZ-OE1 3.48Å; K894-E926 PolarHBondContact NZ-OE1 3.29Å
895	A	89.5	Confident	90.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.			trans	-80.2	131.7	166.3	0	0	0	0	0	110.4	T924 T925 I931 Y1002	A895-T924 PolarHBondContact N-O 2.93Å; A895-T925 WeakPolarHBondContact O-CB 3.15Å; A895-T925 PolarHBondContact O-OG1 3.1Å; A895-I931 HydrophobicContact CB-CD1 4.38Å; A895-I931 HydrophobicContact CB-CG1 4.31Å; A895-I931 HydrophobicContact CB-CG2 4.34Å; A895-Y1002 HydrophobicContact CB-CD2 3.84Å; A895-Y1002 HydrophobicContact CB-CE2 4.16Å
896	D	89.8	Confident	90.5	Very high	51 Å²	51	46 Å²	46	27%	0.273	24%	0.244	S	C	.	.			trans	-135.7	-174.3	172.7	58.7	50.6	0	0	0	109.8	S898 K900 T1003 S1004	D896-S898 PolarHBondContact O-N 3.27Å; D896-S898 VanDerWaalsContact O-N 3.15Å; D896-S898 WeakPolarHBondContact OD1-CA 3.14Å; D896-S898 VanDerWaalsContact OD1-CB 3.29Å; D896-S898 WeakPolarHBondContact OD1-CB 3.32Å; D896-S898 PolarHBondContact OD1-N 3.37Å; D896-S898 PolarHBondContact OD1-OG 2.97Å; D896-K900 IonicContact OD1-NZ 2.25Å; D896-K900 WeakPolarHBondContact OD2-CE 3.18Å; D896-K900 IonicContact OD2-NZ 2.97Å; D896-K900 PolarHBondContact OD2-NZ 3.45Å; D896-T1003 CarbonylContact O-C 3.47Å; D896-S1004 WeakPolarHBondContact CA-OG 3.42Å; D896-S1004 PolarHBondContact O-N 3.44Å; D896-S1004 PolarHBondContact O-OG 2.93Å
897	A	86.4	Confident	90.1	Very high	89 Å²	89	48.4 Å²	48.4	74%	0.736	25%	0.252	S	S	*	.	S	Bend	trans	-66.8	-9.2	-178.3	0	0	0	0	0	114.1	S1004	A897-S1004 PolarHBondContact N-OG 3.31Å
898	S	87.6	Confident	89.8	Confident	63 Å²	63	49 Å²	49	44%	0.441	25%	0.252	S	S	.	.	S	Bend	trans	-88.1	141	173	76.2	0	0	0	0	111.4	D896 K900	D896-S898 PolarHBondContact O-N 3.27Å; D896-S898 VanDerWaalsContact O-N 3.15Å; D896-S898 WeakPolarHBondContact OD1-CA 3.14Å; D896-S898 VanDerWaalsContact OD1-CB 3.29Å; D896-S898 WeakPolarHBondContact OD1-CB 3.32Å; D896-S898 PolarHBondContact OD1-N 3.37Å; D896-S898 PolarHBondContact OD1-OG 2.97Å; S898-K900 PolarHBondContact O-N 2.67Å
899	Q	89.9	Confident	89.2	Confident	104 Å²	104	48.6 Å²	48.6	49%	0.486	27%	0.265	S	S	.	.			trans	-80.2	105.4	-176.2	-173.8	-148.3	-107.6	0	0	111.2	R1001 T1003	Q899-R1001 HydrophobicContact CG-CB 4.02Å; Q899-R1001 HydrophobicContact CG-CG 4.25Å; Q899-T1003 HydrophobicContact CB-CG2 3.81Å; Q899-T1003 HydrophobicContact CG-CG2 4.17Å
900	K	91.9	Very high	88.3	Confident	58 Å²	58	54.1 Å²	54.1	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	161.7	-179.3	-64.1	179.9	-170.9	179.9	0	111.6	K894 D896 S898 R1001 Y1002	K894-K900 PolarHBondContact O-NZ 2.85Å; D896-K900 IonicContact OD1-NZ 2.25Å; D896-K900 WeakPolarHBondContact OD2-CE 3.18Å; D896-K900 IonicContact OD2-NZ 2.97Å; D896-K900 PolarHBondContact OD2-NZ 3.45Å; S898-K900 PolarHBondContact O-N 2.67Å; K900-R1001 CarbonylContact O-C 3.25Å; K900-R1001 WeakPolarHBondContact O-CA 3.35Å; K900-Y1002 HydrophobicContact CB-CD1 4.14Å; K900-Y1002 HydrophobicContact CB-CD2 4.23Å; K900-Y1002 HydrophobicContact CB-CE1 3.65Å; K900-Y1002 HydrophobicContact CB-CE2 3.76Å; K900-Y1002 HydrophobicContact CB-CG 4.41Å; K900-Y1002 VanDerWaalsContact CB-CZ 3.44Å; K900-Y1002 HydrophobicContact CD-CE2 3.89Å; K900-Y1002 HydrophobicContact CG-CE2 4.37Å; K900-Y1002 PolarHBondContact N-O 2.83Å; K900-Y1002 PolarHBondContact O-N 3.42Å
901	N	93.3	Very high	88.1	Confident	50 Å²	50	57.9 Å²	57.9	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.7	179	-58.5	-72	0	0	0	110.9	P810 Y903 H999 V1000 R1001	P810-N901 HydrophobicContact CB-CB 4.36Å; N901-Y903 HydrophobicContact CB-CE2 3.74Å; N901-H999 PolarHBondContact OD1-NE2 3.22Å; N901-V1000 WeakPolarHBondContact CA-O 3.32Å; N901-R1001 WeakPolarHBondContact OD1-CG 3.33Å
902	L	94	Very high	88.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.1	171.4	167.9	62.6	0	0	0	107.9	L893 W921 I985 V1000 Y1002	L893-L902 HydrophobicContact CD1-CD1 4.26Å; L902-W921 HydrophobicContact CD1-CD2 3.94Å; L902-W921 HydrophobicContact CD1-CG 3.99Å; L902-W921 HydrophobicContact CD1-CZ2 4.14Å; L902-W921 HydrophobicContact CD2-CD2 4.48Å; L902-W921 HydrophobicContact CD2-CG 4.44Å; L902-I985 HydrophobicContact CD2-CD1 3.74Å; L902-V1000 HydrophobicContact CB-CB 4.28Å; L902-V1000 PolarHBondContact N-O 3.34Å; L902-V1000 PolarHBondContact O-N 3.37Å; L902-Y1002 HydrophobicContact CB-CD1 4.05Å; L902-Y1002 HydrophobicContact CB-CE1 3.98Å
903	Y	94.3	Very high	88.3	Confident	42 Å²	42	52.4 Å²	52.4	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.8	179.5	-62.1	-80.7	0	0	0	110.6	T809 P810 H812 N901 H905 F908 H999	T809-Y903 HydrophobicContact CG2-CD2 3.78Å; T809-Y903 HydrophobicContact CG2-CG 4.15Å; P810-Y903 HydrophobicContact CB-CD2 4.08Å; P810-Y903 HydrophobicContact CB-CE2 3.94Å; P810-Y903 HydrophobicContact CG-CD2 4.41Å; P810-Y903 HydrophobicContact CG-CE2 3.98Å; H812-Y903 PolarHBondContact CE1-O 3.09Å; N901-Y903 HydrophobicContact CB-CE2 3.74Å; Y903-H905 VanDerWaalsContact C-N 3.32Å; Y903-H905 PolarHBondContact O-N 3.13Å; Y903-F908 HydrophobicContact CD1-CB 4.07Å; Y903-F908 AromaticContact CD1-CD1 3.29Å; Y903-F908 HydrophobicContact CD1-CD1 3.29Å; Y903-F908 AromaticContact CD1-CE1 3.85Å; Y903-F908 HydrophobicContact CD1-CE1 3.85Å; Y903-F908 AromaticContact CD1-CG 3.72Å; Y903-F908 HydrophobicContact CD1-CG 3.72Å; Y903-F908 AromaticContact CE1-CD1 3.67Å; Y903-F908 HydrophobicContact CE1-CD1 3.67Å; Y903-F908 AromaticContact CE1-CE1 3.99Å; Y903-F908 HydrophobicContact CE1-CE1 3.99Å; Y903-F908 HydrophobicContact CG-CB 4.35Å; Y903-F908 HydrophobicContact CG-CD1 4.34Å; Y903-F908 HydrophobicContact CG-CG 4.43Å; Y903-H999 HydrophobicContact CD1-CB 3.83Å; Y903-H999 AromaticContact CD1-CD2 3.77Å; Y903-H999 AromaticContact CD1-CG 3.84Å; Y903-H999 HydrophobicContact CE1-CB 3.79Å; Y903-H999 AromaticContact CE1-CD2 3.26Å; Y903-H999 WeakPolarHBondContact CE1-CD2 3.49Å; Y903-H999 AromaticContact CE1-CE1 3.93Å; Y903-H999 AromaticContact CE1-CG 3.33Å; Y903-H999 AromaticContact CE1-ND1 3.76Å; Y903-H999 AromaticContact CE1-NE2 3.68Å; Y903-H999 AromaticContact CZ-CD2 3.64Å; Y903-H999 AromaticContact CZ-NE2 3.64Å; Y903-H999 PolarHBondContact OH-NE2 3.43Å
904	S	92.4	Very high	88.2	Confident	1 Å²	1	55 Å²	55	1%	0.007	31%	0.312	C	S	.	.	S	Bend	trans	-61.2	-36	178.2	48.1	0	0	0	0	114.3	F998	S904-F998 PolarHBondContact N-O 3.18Å; S904-F998 PolarHBondContact OG-N 2.79Å; S904-F998 VanDerWaalsContact OG-N 3.07Å; S904-F998 PolarHBondContact OG-O 3.14Å
905	H	92.4	Very high	88.1	Confident	9 Å²	9	51.6 Å²	51.6	4%	0.042	31%	0.306	C	S	.	.	S	Bend	trans	-150.8	168.9	-178	67.7	-77.3	0	0	0	110.8	H812 Y903 Q907 F908 N911 N912 Y913 K996	H812-H905 PolarHBondContact CE1-O 3.18Å; H812-H905 VanDerWaalsContact NE2-CA 3.27Å; H812-H905 WeakPolarHBondContact NE2-CA 3.1Å; Y903-H905 VanDerWaalsContact C-N 3.32Å; Y903-H905 PolarHBondContact O-N 3.13Å; H905-Q907 PolarHBondContact CD2-N 3.1Å; H905-F908 AromaticContact CE1-CD2 3.84Å; H905-F908 WeakPolarHBondContact NE2-CA 3.41Å; H905-F908 PolarHBondContact NE2-N 3.17Å; H905-N911 PolarHBondContact NE2-O 3.36Å; H905-N912 PolarHBondContact NE2-O 3.49Å; H905-Y913 PolarHBondContact CE1-N 3.15Å; H905-K996 PolarHBondContact CE1-O 2.96Å
906	S	89.1	Confident	88.1	Confident	30 Å²	30	58.3 Å²	58.3	21%	0.21	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.6	-171.1	57.7	0	0	0	0	114.2	T809 H812	T809-S906 WeakPolarHBondContact CB-O 3.24Å; T809-S906 PolarHBondContact OG1-O 2.98Å; H812-S906 PolarHBondContact NE2-N 3.14Å
907	Q	86.1	Confident	87.9	Confident	85 Å²	85	57.1 Å²	57.1	40%	0.397	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	25	-179.1	-63.7	-177.6	-58.6	0	0	113.7	P783 H905 G909 D910 N911	P783-Q907 HydrophobicContact CB-CG 4.4Å; P783-Q907 HydrophobicContact CG-CG 3.95Å; H905-Q907 PolarHBondContact CD2-N 3.1Å; Q907-G909 PolarHBondContact O-N 3.24Å; Q907-G909 VanDerWaalsContact O-N 3.11Å; Q907-D910 PolarHBondContact O-N 3.38Å; Q907-D910 VanDerWaalsContact O-N 3.1Å; Q907-N911 HydrophobicContact CB-CB 4.02Å; Q907-N911 VanDerWaalsContact CD-ND2 3.34Å; Q907-N911 PolarHBondContact O-N 3.25Å; Q907-N911 VanDerWaalsContact O-N 3.1Å; Q907-N911 PolarHBondContact OE1-ND2 2.77Å
908	F	86.5	Confident	88.2	Confident	36 Å²	36	57 Å²	57	16%	0.158	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-59.6	115.9	-174.1	179.1	-86.5	0	0	0	112.5	Y903 H905 T937 K996 F998 H999	Y903-F908 HydrophobicContact CD1-CB 4.07Å; Y903-F908 AromaticContact CD1-CD1 3.29Å; Y903-F908 HydrophobicContact CD1-CD1 3.29Å; Y903-F908 AromaticContact CD1-CE1 3.85Å; Y903-F908 HydrophobicContact CD1-CE1 3.85Å; Y903-F908 AromaticContact CD1-CG 3.72Å; Y903-F908 HydrophobicContact CD1-CG 3.72Å; Y903-F908 AromaticContact CE1-CD1 3.67Å; Y903-F908 HydrophobicContact CE1-CD1 3.67Å; Y903-F908 AromaticContact CE1-CE1 3.99Å; Y903-F908 HydrophobicContact CE1-CE1 3.99Å; Y903-F908 HydrophobicContact CG-CB 4.35Å; Y903-F908 HydrophobicContact CG-CD1 4.34Å; Y903-F908 HydrophobicContact CG-CG 4.43Å; H905-F908 AromaticContact CE1-CD2 3.84Å; H905-F908 WeakPolarHBondContact NE2-CA 3.41Å; H905-F908 PolarHBondContact NE2-N 3.17Å; F908-T937 HydrophobicContact CE2-CG2 4.49Å; F908-T937 HydrophobicContact CZ-CG2 3.96Å; F908-K996 WeakPolarHBondContact CD2-O 3.02Å; F908-K996 HydrophobicContact CE2-CG 4.15Å; F908-K996 WeakPolarHBondContact CE2-O 3.35Å; F908-K996 HydrophobicContact CZ-CG 4.48Å; F908-F998 VanDerWaalsContact CE2-C 3.49Å; F908-F998 WeakPolarHBondContact CE2-O 3.48Å; F908-H999 HydrophobicContact CE1-CB 3.7Å; F908-H999 HydrophobicContact CE2-CB 4.5Å; F908-H999 HydrophobicContact CZ-CB 3.69Å
909	G	76.6	Confident	88.5	Confident	54 Å²	54	54.1 Å²	54.1	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	115	-29.7	179.8	0	0	0	0	0	113.2	Q907	Q907-G909 PolarHBondContact O-N 3.24Å; Q907-G909 VanDerWaalsContact O-N 3.11Å
910	D	72.6	Confident	88.7	Confident	147 Å²	147	54.2 Å²	54.2	79%	0.786	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-41	173.7	-58.5	-44.7	0	0	0	110.9	Q907	Q907-D910 PolarHBondContact O-N 3.38Å; Q907-D910 VanDerWaalsContact O-N 3.1Å
911	N	81.9	Confident	88.9	Confident	81 Å²	81	51.5 Å²	51.5	43%	0.433	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-122.5	172.7	-178.6	-76.1	-22.9	0	0	0	112.8	H905 Q907	H905-N911 PolarHBondContact NE2-O 3.36Å; Q907-N911 HydrophobicContact CB-CB 4.02Å; Q907-N911 VanDerWaalsContact CD-ND2 3.34Å; Q907-N911 PolarHBondContact O-N 3.25Å; Q907-N911 VanDerWaalsContact O-N 3.1Å; Q907-N911 PolarHBondContact OE1-ND2 2.77Å
912	N	90.1	Very high	88.9	Confident	82 Å²	82	49.6 Å²	49.6	44%	0.439	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-80	162.8	161.7	-75.6	-3.1	0	0	0	110.6	H905 S994 K995 K996	H905-N912 PolarHBondContact NE2-O 3.49Å; N912-S994 PolarHBondContact ND2-O 2.92Å; N912-K995 CarbonylContact C-O 3.54Å; N912-K995 WeakPolarHBondContact CA-O 3.45Å; N912-K995 WeakPolarHBondContact CB-O 3.43Å; N912-K995 VanDerWaalsContact OD1-C 3.31Å; N912-K996 PolarHBondContact OD1-N 2.7Å
913	Y	89.8	Confident	88.9	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.5	152.9	174.2	52.1	-97.6	0	0	0	111.7	H905 E941 D949 F987 S994 K995	H905-Y913 PolarHBondContact CE1-N 3.15Å; Y913-E941 PolarHBondContact OH-N 3.17Å; Y913-E941 VanDerWaalsContact OH-N 3.11Å; Y913-D949 WeakPolarHBondContact CE2-OD2 3.33Å; Y913-D949 PolarHBondContact OH-OD2 2.9Å; Y913-F987 HydrophobicContact CD1-CZ 4.06Å; Y913-F987 HydrophobicContact CD2-CE1 4.21Å; Y913-F987 AromaticContact CD2-CZ 3.76Å; Y913-F987 HydrophobicContact CD2-CZ 3.76Å; Y913-F987 HydrophobicContact CE1-CZ 4.25Å; Y913-F987 AromaticContact CE2-CZ 3.97Å; Y913-F987 HydrophobicContact CE2-CZ 3.97Å; Y913-F987 HydrophobicContact CG-CE1 4.15Å; Y913-F987 AromaticContact CG-CZ 3.82Å; Y913-F987 HydrophobicContact CG-CZ 3.82Å; Y913-S994 WeakPolarHBondContact O-CB 3.44Å; Y913-S994 PolarHBondContact O-OG 2.89Å; Y913-S994 VanDerWaalsContact O-OG 3.13Å; Y913-K995 WeakPolarHBondContact CD1-O 3.34Å; Y913-K995 HydrophobicContact CE1-CB 4.01Å; Y913-K995 WeakPolarHBondContact CE1-O 3.47Å; Y913-K995 VanDerWaalsContact CZ-N 3.28Å; Y913-K995 PolarHBondContact N-O 3.08Å; Y913-K995 PolarHBondContact OH-N 2.98Å
914	P	87.6	Confident	88.9	Confident	68 Å²	68	49.6 Å²	49.6	44%	0.442	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-69.2	148.4	173.9	-7.5	23.5	0	0	0	110.4	T917 S989	P914-T917 HydrophobicContact CB-CG2 3.71Å; P914-T917 HydrophobicContact CG-CG2 3.98Å; P914-S989 PolarHBondContact O-OG 3.49Å
915	G	89	Confident	89	Confident	33 Å²	33	50.4 Å²	50.4	34%	0.34	29%	0.287	S	S	.	.	S	Bend	trans	-70	163.9	165.2	0	0	0	0	0	111.9	T917 D990	G915-T917 VanDerWaalsContact C-N 3.34Å; G915-T917 PolarHBondContact O-N 2.8Å; G915-D990 CarbonylContact C-O 3.52Å; G915-D990 WeakPolarHBondContact CA-O 3.39Å
916	H	87.9	Confident	88.8	Confident	140 Å²	140	55.2 Å²	55.2	65%	0.648	31%	0.309	S	S	*	.	S	Bend	trans	56.1	40.7	177.1	-159.3	-57.1	0	0	0	113.5	S989 D990 D991	H916-S989 CarbonylContact C-O 3.52Å; H916-S989 WeakPolarHBondContact CA-O 3.44Å; H916-S989 PolarHBondContact N-O 2.95Å; H916-D990 PolarHBondContact N-O 3.44Å; H916-D991 IonicContact CD2-OD1 2.66Å; H916-D991 IonicContact CD2-OD2 2.72Å; H916-D991 IonicContact CG-OD1 2.65Å
917	T	86.7	Confident	88.6	Confident	27 Å²	27	62.3 Å²	62.3	17%	0.166	34%	0.339	C	S	.	.			trans	-107.1	124.5	178.2	67.5	0	0	0	0	112.7	P914 G915 H988 S989	P914-T917 HydrophobicContact CB-CG2 3.71Å; P914-T917 HydrophobicContact CG-CG2 3.98Å; G915-T917 VanDerWaalsContact C-N 3.34Å; G915-T917 PolarHBondContact O-N 2.8Å; T917-H988 CarbonylContact O-C 3.57Å; T917-H988 VanDerWaalsContact O-CA 3.27Å; T917-H988 WeakPolarHBondContact O-CA 3.39Å; T917-S989 PolarHBondContact N-O 2.81Å; T917-S989 PolarHBondContact N-OG 2.89Å; T917-S989 PolarHBondContact O-N 2.92Å; T917-S989 PolarHBondContact OG1-OG 2.83Å
918	D	92.4	Very high	88.4	Confident	85 Å²	85	60.7 Å²	60.7	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	105.7	167.7	-100.5	-56.3	0	0	0	108.9	R986 H988	D918-R986 VanDerWaalsContact CG-NH2 3.33Å; D918-R986 IonicContact OD1-CZ 2.73Å; D918-R986 VanDerWaalsContact OD1-CZ 3.24Å; D918-R986 IonicContact OD1-NE 2.74Å; D918-R986 PolarHBondContact OD1-NE 2.81Å; D918-R986 IonicContact OD1-NH2 2.72Å; D918-R986 PolarHBondContact OD1-NH2 3.49Å; D918-R986 IonicContact OD2-NH2 2.54Å; D918-R986 PolarHBondContact OD2-NH2 2.77Å; D918-H988 VanDerWaalsContact CG-ND1 3.26Å; D918-H988 IonicContact OD1-CG 3.63Å; D918-H988 IonicContact OD1-ND1 2.84Å; D918-H988 PolarHBondContact OD1-ND1 2.73Å; D918-H988 IonicContact OD2-CE1 3.39Å; D918-H988 PolarHBondContact OD2-CE1 2.88Å; D918-H988 IonicContact OD2-ND1 2.84Å; D918-H988 PolarHBondContact OD2-ND1 3.24Å; D918-H988 VanDerWaalsContact OD2-ND1 3.14Å
919	C	93.8	Very high	88.5	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.1	-173.8	-63.6	0	0	0	0	111	C889 W921 R986 F987	C889-C919 HydrophobicContact CB-CB 3.71Å; C889-C919 WeakPolarHBondContact CB-SG 3.44Å; C889-C919 VanDerWaalsContact SG-CA 3.54Å; C889-C919 WeakPolarHBondContact SG-CB 3.32Å; C889-C919 CovalentContact SG-SG 2.03Å; C889-C919 PolarHBondContact SG-SG 3.18Å; C919-W921 HydrophobicContact CB-CE3 4.32Å; C919-W921 HydrophobicContact CB-CH2 3.37Å; C919-W921 HydrophobicContact CB-CZ2 3.95Å; C919-W921 HydrophobicContact CB-CZ3 3.58Å; C919-R986 CarbonylContact O-C 3.56Å; C919-R986 WeakPolarHBondContact O-CA 3.47Å; C919-F987 HydrophobicContact CB-CB 4.36Å; C919-F987 PolarHBondContact N-O 2.88Å; C919-F987 PolarHBondContact O-N 2.8Å
920	E	94.2	Very high	89.2	Confident	107 Å²	107	60 Å²	60	50%	0.5	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.7	-176.4	-171.2	-178.7	101.5	0	0	112.3	G890 G891 L984 I985	G890-E920 CarbonylContact C-O 3.51Å; G890-E920 WeakPolarHBondContact CA-O 3.2Å; G891-E920 PolarHBondContact N-O 2.89Å; E920-L984 HydrophobicContact CG-CD1 3.67Å; E920-L984 HydrophobicContact CG-CD2 4.36Å; E920-L984 HydrophobicContact CG-CG 4.13Å; E920-I985 CarbonylContact C-O 3.52Å; E920-I985 WeakPolarHBondContact CA-O 3.4Å
921	W	95.4	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.9	175.2	-57.3	-92.7	0	0	0	110.8	G811 C889 G890 G891 L902 C919 I985 F987 F998	G811-W921 PolarHBondContact O-NE1 3.49Å; C889-W921 HydrophobicContact CB-CZ2 4.07Å; G890-W921 VanDerWaalsContact C-CD1 3.44Å; G890-W921 VanDerWaalsContact CA-CD1 3.42Å; G891-W921 CarbonylContact O-C 3.52Å; G891-W921 WeakPolarHBondContact O-CA 3.44Å; L902-W921 HydrophobicContact CD1-CD2 3.94Å; L902-W921 HydrophobicContact CD1-CG 3.99Å; L902-W921 HydrophobicContact CD1-CZ2 4.14Å; L902-W921 HydrophobicContact CD2-CD2 4.48Å; L902-W921 HydrophobicContact CD2-CG 4.44Å; C919-W921 HydrophobicContact CB-CE3 4.32Å; C919-W921 HydrophobicContact CB-CH2 3.37Å; C919-W921 HydrophobicContact CB-CZ2 3.95Å; C919-W921 HydrophobicContact CB-CZ3 3.58Å; W921-I985 HydrophobicContact CB-CB 4.32Å; W921-I985 HydrophobicContact CE3-CB 4.44Å; W921-I985 HydrophobicContact CE3-CG2 4.08Å; W921-I985 PolarHBondContact N-O 2.95Å; W921-I985 PolarHBondContact O-N 3.4Å; W921-F987 HydrophobicContact CH2-CB 4.26Å; W921-F987 HydrophobicContact CZ3-CB 3.75Å; W921-F998 HydrophobicContact CH2-CZ 4.09Å; W921-F998 AromaticContact CZ3-CZ 3.94Å; W921-F998 HydrophobicContact CZ3-CZ 3.94Å
922	L	94.4	Very high	90.8	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108.2	170.1	174.4	58	0	0	0	109.2	G891 R892 L893 T924 Y957 A982 L984	G891-L922 PolarHBondContact O-N 3.46Å; R892-L922 WeakPolarHBondContact CA-O 3.35Å; R892-L922 HydrophobicContact CG-CB 4.33Å; R892-L922 HydrophobicContact CG-CD2 4.32Å; L893-L922 PolarHBondContact N-O 2.77Å; L922-T924 HydrophobicContact CD1-CG2 4.31Å; L922-T924 HydrophobicContact CD2-CG2 4.41Å; L922-T924 HydrophobicContact CG-CG2 4.01Å; L922-Y957 HydrophobicContact CD1-CD1 4.24Å; L922-Y957 HydrophobicContact CD2-CD1 4.27Å; L922-A982 HydrophobicContact CD1-CB 4.33Å; L922-L984 HydrophobicContact CB-CD1 3.95Å; L922-L984 HydrophobicContact CD1-CD1 4.24Å
923	L	94.4	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	133.7	169.3	-52.6	-169.8	0	0	0	109.4	L893 I931 L933 A982 M983 I985 Y1002	L893-L923 HydrophobicContact CB-CD2 3.75Å; L893-L923 HydrophobicContact CD1-CD2 3.87Å; L893-L923 HydrophobicContact CG-CD2 4.28Å; L893-L923 WeakPolarHBondContact O-CA 3.46Å; L923-I931 HydrophobicContact CB-CD1 3.85Å; L923-I931 HydrophobicContact CB-CG2 4.37Å; L923-I931 HydrophobicContact CD1-CG2 3.85Å; L923-L933 HydrophobicContact CD1-CD2 3.64Å; L923-A982 WeakPolarHBondContact O-CA 3.33Å; L923-M983 HydrophobicContact CB-CB 4.44Å; L923-M983 PolarHBondContact N-O 3.28Å; L923-M983 PolarHBondContact O-N 3.07Å; L923-I985 HydrophobicContact CD1-CD1 3.76Å; L923-I985 HydrophobicContact CD2-CD1 4.49Å; L923-I985 HydrophobicContact CG-CD1 3.96Å; L923-I985 HydrophobicContact CG-CG1 4.47Å; L923-Y1002 HydrophobicContact CD1-CD2 4.16Å; L923-Y1002 HydrophobicContact CD1-CG 4.06Å; L923-Y1002 HydrophobicContact CD2-CD2 4.45Å; L923-Y1002 HydrophobicContact CD2-CE2 4.34Å
924	T	94.1	Very high	91	Very high	41 Å²	41	50.2 Å²	50.2	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.6	173	60.1	0	0	0	0	111.8	L893 K894 A895 L922 Y957 D981	L893-T924 PolarHBondContact O-N 2.64Å; K894-T924 CarbonylContact C-O 3.47Å; K894-T924 WeakPolarHBondContact CA-O 3.44Å; A895-T924 PolarHBondContact N-O 2.93Å; L922-T924 HydrophobicContact CD1-CG2 4.31Å; L922-T924 HydrophobicContact CD2-CG2 4.41Å; L922-T924 HydrophobicContact CG-CG2 4.01Å; T924-Y957 HydrophobicContact CG2-CE1 4.18Å; T924-D981 CarbonylContact C-O 3.57Å; T924-D981 WeakPolarHBondContact CA-O 3.48Å
925	T	93.5	Very high	91.2	Very high	19 Å²	19	49 Å²	49	12%	0.117	26%	0.263	C	S	.	.			trans	-138.4	-167.7	174.6	-164.8	0	0	0	0	111.2	A895 Y929 I931 D981 S1004	A895-T925 WeakPolarHBondContact O-CB 3.15Å; A895-T925 PolarHBondContact O-OG1 3.1Å; T925-Y929 WeakPolarHBondContact CG2-O 3.23Å; T925-I931 HydrophobicContact CG2-CD1 4.17Å; T925-I931 HydrophobicContact CG2-CG1 3.72Å; T925-D981 HydrophobicContact CG2-CB 4.28Å; T925-D981 PolarHBondContact N-O 3.42Å; T925-S1004 WeakPolarHBondContact OG1-CB 3.35Å; T925-S1004 PolarHBondContact OG1-OG 3.27Å
926	E	89.4	Confident	91.3	Very high	110 Å²	110	50.4 Å²	50.4	51%	0.514	27%	0.265	S	S	.	.			trans	-86.4	143.7	-178.5	-67.7	177.8	-166.6	0	0	111.4	K894 G928 Y929	K894-E926 IonicContact NZ-OE1 3.48Å; K894-E926 PolarHBondContact NZ-OE1 3.29Å; E926-G928 PolarHBondContact O-N 3Å; E926-Y929 HydrophobicContact CB-CD2 4.25Å; E926-Y929 WeakPolarHBondContact O-CB 3.24Å; E926-Y929 PolarHBondContact O-N 3.37Å
927	Q	84.1	Confident	91.4	Very high	179 Å²	179	45.2 Å²	45.2	84%	0.836	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.4	-169.3	-165.6	176.7	41	0	0	111.9
928	G	82.5	Confident	91.7	Very high	51 Å²	51	44.7 Å²	44.7	53%	0.526	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	3.7	-175.1	0	0	0	0	0	115.3	E926	E926-G928 PolarHBondContact O-N 3Å
929	Y	88.9	Confident	91.7	Very high	74 Å²	74	44.5 Å²	44.5	29%	0.29	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.8	162.8	-69.3	-109.7	0	0	0	109.5	T925 E926 K1006	T925-Y929 WeakPolarHBondContact CG2-O 3.23Å; E926-Y929 HydrophobicContact CB-CD2 4.25Å; E926-Y929 WeakPolarHBondContact O-CB 3.24Å; E926-Y929 PolarHBondContact O-N 3.37Å; Y929-K1006 HydrophobicContact CD1-CB 3.96Å; Y929-K1006 HydrophobicContact CD1-CG 4.48Å; Y929-K1006 HydrophobicContact CE1-CB 3.71Å; Y929-K1006 HydrophobicContact CE1-CD 4.34Å; Y929-K1006 HydrophobicContact CE1-CG 4.18Å; Y929-K1006 HydrophobicContact CE2-CD 4.35Å; Y929-K1006 HydrophobicContact CE2-CG 4.42Å
930	G	90.4	Very high	91.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	161.8	170.1	0	0	0	0	0	111.2	S978 S1004 S1005	G930-S978 CarbonylContact C-O 3.53Å; G930-S978 WeakPolarHBondContact CA-O 3.49Å; G930-S1004 CarbonylContact O-C 3.06Å; G930-S1004 VanDerWaalsContact O-CA 3.24Å; G930-S1004 WeakPolarHBondContact O-CA 3.47Å; G930-S1005 PolarHBondContact N-O 2.88Å; G930-S1005 PolarHBondContact O-N 3.29Å
931	I	94.4	Very high	91.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.1	-177.5	-57.6	179.2	0	0	0	109.7	A895 L923 T925 L933 S978 M983	A895-I931 HydrophobicContact CB-CD1 4.38Å; A895-I931 HydrophobicContact CB-CG1 4.31Å; A895-I931 HydrophobicContact CB-CG2 4.34Å; L923-I931 HydrophobicContact CB-CD1 3.85Å; L923-I931 HydrophobicContact CB-CG2 4.37Å; L923-I931 HydrophobicContact CD1-CG2 3.85Å; T925-I931 HydrophobicContact CG2-CD1 4.17Å; T925-I931 HydrophobicContact CG2-CG1 3.72Å; I931-L933 HydrophobicContact CG2-CD2 4.46Å; I931-S978 PolarHBondContact N-O 3.34Å; I931-S978 PolarHBondContact O-N 3.16Å; I931-M983 HydrophobicContact CB-CE 4.34Å; I931-M983 HydrophobicContact CD1-CB 4.25Å; I931-M983 HydrophobicContact CG2-CE 4.26Å; I931-M983 WeakPolarHBondContact O-CE 3.5Å
932	E	92.8	Very high	91.3	Very high	56 Å²	56	46.8 Å²	46.8	26%	0.262	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	179.8	-171	166.3	-164.5	0	0	110.6	Y977 Y1002 T1003	E932-Y977 HydrophobicContact CB-CD2 4.08Å; E932-Y1002 VanDerWaalsContact O-CA 3.29Å; E932-Y1002 WeakPolarHBondContact O-CA 3.05Å; E932-T1003 PolarHBondContact N-O 2.63Å; E932-T1003 PolarHBondContact O-N 2.72Å; E932-T1003 VanDerWaalsContact O-N 3.11Å
933	L	94.1	Very high	91	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	172.1	-56.5	-168.7	0	0	0	110.5	L923 I931 F935 L953 G975 I976 M983 I985 V1000 R1001	L923-L933 HydrophobicContact CD1-CD2 3.64Å; I931-L933 HydrophobicContact CG2-CD2 4.46Å; L933-F935 HydrophobicContact CB-CE2 4.17Å; L933-F935 HydrophobicContact CD1-CE2 4.43Å; L933-F935 HydrophobicContact CD1-CZ 4.31Å; L933-L953 HydrophobicContact CD1-CD1 4.02Å; L933-L953 HydrophobicContact CD1-CD2 3.89Å; L933-G975 CarbonylContact O-C 3.52Å; L933-G975 WeakPolarHBondContact O-CA 3.1Å; L933-I976 HydrophobicContact CB-CB 4.44Å; L933-I976 PolarHBondContact N-O 2.76Å; L933-I976 PolarHBondContact O-N 2.73Å; L933-M983 HydrophobicContact CD1-CE 4.38Å; L933-M983 HydrophobicContact CD1-SD 3.53Å; L933-M983 VanDerWaalsContact CD1-SD 3.53Å; L933-M983 HydrophobicContact CD2-SD 4.08Å; L933-M983 HydrophobicContact CG-CE 3.97Å; L933-M983 HydrophobicContact CG-SD 3.65Å; L933-I985 HydrophobicContact CD1-CD1 3.86Å; L933-I985 HydrophobicContact CD2-CD1 4.26Å; L933-V1000 HydrophobicContact CB-CG1 4.09Å; L933-V1000 HydrophobicContact CD1-CG1 4.26Å; L933-V1000 HydrophobicContact CD2-CG1 3.87Å; L933-V1000 HydrophobicContact CG-CG1 4.3Å; L933-R1001 CarbonylContact C-O 3.6Å; L933-R1001 WeakPolarHBondContact CA-O 3.11Å
934	S	91.4	Very high	90.3	Very high	50 Å²	50	53.5 Å²	53.5	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.6	168.4	50.9	0	0	0	0	110.1	R1001	S934-R1001 PolarHBondContact N-O 3.04Å; S934-R1001 PolarHBondContact O-N 3.38Å; S934-R1001 WeakPolarHBondContact OG-CB 3.33Å; S934-R1001 PolarHBondContact OG-O 3.16Å
935	F	91.6	Very high	89.9	Confident	42 Å²	42	58.4 Å²	58.4	18%	0.184	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.3	-177.6	-69.9	-95.8	0	0	0	109.6	L933 F938 I951 L953 P972 I976 V1000	L933-F935 HydrophobicContact CB-CE2 4.17Å; L933-F935 HydrophobicContact CD1-CE2 4.43Å; L933-F935 HydrophobicContact CD1-CZ 4.31Å; F935-F938 HydrophobicContact CD1-CB 4.34Å; F935-F938 AromaticContact CD1-CD2 3.61Å; F935-F938 HydrophobicContact CD1-CD2 3.61Å; F935-F938 HydrophobicContact CD1-CE2 4.41Å; F935-F938 HydrophobicContact CD1-CG 4.36Å; F935-F938 AromaticContact CE1-CD2 3.7Å; F935-F938 HydrophobicContact CE1-CD2 3.7Å; F935-F938 HydrophobicContact CE1-CE2 4.05Å; F935-I951 HydrophobicContact CE1-CD1 4.32Å; F935-L953 HydrophobicContact CZ-CD1 4.27Å; F935-P972 HydrophobicContact CD1-CG 4.42Å; F935-P972 HydrophobicContact CD2-CG 3.49Å; F935-P972 VanDerWaalsContact CD2-CG 3.49Å; F935-P972 HydrophobicContact CE1-CG 4.4Å; F935-P972 HydrophobicContact CE2-CG 3.48Å; F935-P972 VanDerWaalsContact CE2-CG 3.48Å; F935-P972 HydrophobicContact CG-CG 4Å; F935-P972 HydrophobicContact CZ-CG 3.96Å; F935-I976 HydrophobicContact CE2-CG1 4.07Å; F935-V1000 HydrophobicContact CD1-CG2 3.55Å; F935-V1000 HydrophobicContact CE1-CG2 3.37Å; F935-V1000 HydrophobicContact CG-CG2 4.33Å; F935-V1000 HydrophobicContact CZ-CG2 4Å
936	V	90	Very high	89.7	Confident	63 Å²	63	58.4 Å²	58.4	38%	0.382	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-31.6	179.2	-174.2	0	0	0	0	110.8	H999 R1001	V936-H999 HydrophobicContact CB-CB 4.35Å; V936-H999 PolarHBondContact N-O 3.39Å; V936-R1001 HydrophobicContact CG2-CB 4.36Å; V936-R1001 HydrophobicContact CG2-CG 3.7Å
937	T	90	Very high	89.6	Confident	30 Å²	30	55.3 Å²	55.3	18%	0.184	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	137.9	172.9	-68.1	0	0	0	0	106.8	F908 E939 K996 F998 H999	F908-T937 HydrophobicContact CE2-CG2 4.49Å; F908-T937 HydrophobicContact CZ-CG2 3.96Å; T937-E939 HydrophobicContact CG2-CG 4.12Å; T937-E939 VanDerWaalsContact CG2-OE1 3.3Å; T937-E939 WeakPolarHBondContact CG2-OE1 3.43Å; T937-K996 HydrophobicContact CG2-CD 4.22Å; T937-F998 CarbonylContact O-C 3.52Å; T937-F998 VanDerWaalsContact O-CA 3.23Å; T937-F998 WeakPolarHBondContact O-CA 3.04Å; T937-F998 WeakPolarHBondContact O-CB 3.19Å; T937-H999 PolarHBondContact N-O 3.49Å; T937-H999 PolarHBondContact O-N 3.17Å
938	F	93.8	Very high	89.8	Confident	16 Å²	16	52.5 Å²	52.5	7%	0.07	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	105.4	170.5	-166	-80.9	0	0	0	108	F935 V940 I951 F967 G969 G971 F998	F935-F938 HydrophobicContact CD1-CB 4.34Å; F935-F938 AromaticContact CD1-CD2 3.61Å; F935-F938 HydrophobicContact CD1-CD2 3.61Å; F935-F938 HydrophobicContact CD1-CE2 4.41Å; F935-F938 HydrophobicContact CD1-CG 4.36Å; F935-F938 AromaticContact CE1-CD2 3.7Å; F935-F938 HydrophobicContact CE1-CD2 3.7Å; F935-F938 HydrophobicContact CE1-CE2 4.05Å; F938-V940 HydrophobicContact CD1-CB 4.37Å; F938-V940 HydrophobicContact CD1-CG2 4.09Å; F938-V940 HydrophobicContact CE1-CB 3.68Å; F938-V940 HydrophobicContact CE1-CG2 3.53Å; F938-V940 HydrophobicContact CE2-CG2 4Å; F938-V940 HydrophobicContact CZ-CB 4Å; F938-V940 HydrophobicContact CZ-CG2 3.48Å; F938-V940 VanDerWaalsContact CZ-CG2 3.48Å; F938-I951 HydrophobicContact CE2-CB 4.1Å; F938-I951 HydrophobicContact CE2-CD1 4.42Å; F938-I951 HydrophobicContact CE2-CG2 3.64Å; F938-I951 HydrophobicContact CZ-CB 4.25Å; F938-I951 HydrophobicContact CZ-CG2 3.76Å; F938-F967 HydrophobicContact CZ-CB 4.26Å; F938-G969 WeakPolarHBondContact CD1-O 3.49Å; F938-G971 VanDerWaalsContact CD1-N 3.3Å; F938-F998 HydrophobicContact CD2-CB 3.52Å; F938-F998 HydrophobicContact CD2-CD1 4.32Å; F938-F998 HydrophobicContact CD2-CG 4.23Å; F938-F998 HydrophobicContact CE2-CB 4.04Å; F938-F998 AromaticContact CE2-CD1 3.95Å; F938-F998 HydrophobicContact CE2-CD1 3.95Å; F938-F998 HydrophobicContact CE2-CG 4.29Å; F938-F998 HydrophobicContact CG-CB 4.29Å
939	E	91.8	Very high	90.4	Very high	82 Å²	82	50.2 Å²	50.2	38%	0.383	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	76	-176.6	-68.6	172.9	-127.8	0	0	107.3	T937 K995 K996 G997	T937-E939 HydrophobicContact CG2-CG 4.12Å; T937-E939 VanDerWaalsContact CG2-OE1 3.3Å; T937-E939 WeakPolarHBondContact CG2-OE1 3.43Å; E939-K995 WeakPolarHBondContact O-CB 3.29Å; E939-K996 HydrophobicContact CB-CB 4.18Å; E939-K996 WeakPolarHBondContact OE1-CD 3.15Å; E939-K996 IonicContact OE1-NZ 3.74Å; E939-K996 PolarHBondContact OE1-NZ 2.88Å; E939-K996 WeakPolarHBondContact OE2-CD 3.4Å; E939-G997 PolarHBondContact N-O 3.37Å; E939-G997 VanDerWaalsContact O-CA 3.3Å; E939-G997 WeakPolarHBondContact O-CA 3.01Å; E939-G997 PolarHBondContact O-N 2.03Å
940	V	92	Very high	90.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.			trans	-105.6	164.1	178.1	178.7	0	0	0	0	108.7	F938 D949 C968 G969 F987 K995 F998	F938-V940 HydrophobicContact CD1-CB 4.37Å; F938-V940 HydrophobicContact CD1-CG2 4.09Å; F938-V940 HydrophobicContact CE1-CB 3.68Å; F938-V940 HydrophobicContact CE1-CG2 3.53Å; F938-V940 HydrophobicContact CE2-CG2 4Å; F938-V940 HydrophobicContact CZ-CB 4Å; F938-V940 HydrophobicContact CZ-CG2 3.48Å; F938-V940 VanDerWaalsContact CZ-CG2 3.48Å; V940-D949 HydrophobicContact CG1-CB 3.48Å; V940-D949 VanDerWaalsContact CG1-CB 3.48Å; V940-C968 HydrophobicContact CG1-CB 4.44Å; V940-G969 PolarHBondContact N-O 3.29Å; V940-G969 VanDerWaalsContact O-CA 3.26Å; V940-G969 WeakPolarHBondContact O-CA 3.43Å; V940-G969 PolarHBondContact O-N 2.88Å; V940-F987 HydrophobicContact CG1-CE2 4.23Å; V940-F987 HydrophobicContact CG2-CE2 4.29Å; V940-K995 WeakPolarHBondContact O-CD 3.44Å; V940-K995 WeakPolarHBondContact O-CE 3.44Å; V940-K995 PolarHBondContact O-NZ 3.43Å; V940-F998 HydrophobicContact CG2-CD1 4.4Å
941	E	92.8	Very high	90.9	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	26%	0.264	C	S	.	.			trans	-52.1	147.1	176.4	-147.1	-151.3	158.6	0	0	112.3	Y913 Y948 D949 C968 G969 I993	Y913-E941 PolarHBondContact OH-N 3.17Å; Y913-E941 VanDerWaalsContact OH-N 3.11Å; E941-Y948 WeakPolarHBondContact OE2-CB 3.4Å; E941-Y948 WeakPolarHBondContact OE2-CD2 3.47Å; E941-D949 HydrophobicContact CB-CB 3.82Å; E941-D949 WeakPolarHBondContact CB-OD2 3.05Å; E941-C968 VanDerWaalsContact O-CB 3.3Å; E941-C968 WeakPolarHBondContact O-CB 3.31Å; E941-G969 WeakPolarHBondContact O-CA 3.35Å; E941-G969 PolarHBondContact O-N 3.1Å; E941-I993 HydrophobicContact CG-CB 3.91Å; E941-I993 HydrophobicContact CG-CG2 3.85Å
942	E	90.1	Very high	91	Very high	141 Å²	141	48.1 Å²	48.1	66%	0.659	27%	0.265	S	S	*	.			trans	-113.4	106.4	-172.9	-170.6	166.4	-175.5	0	0	109.9
943	E	88.9	Confident	91.1	Very high	58 Å²	58	45.4 Å²	45.4	27%	0.271	25%	0.253	S	S	.	.			trans	-131	152.5	-175.8	-160.2	-68.8	111.9	0	0	107.9	D945 C946 G947 Y948 C968	E943-D945 PolarHBondContact OE1-N 3.22Å; E943-D945 WeakPolarHBondContact OE2-CA 3.45Å; E943-D945 PolarHBondContact OE2-N 2.87Å; E943-C946 PolarHBondContact OE2-N 2.93Å; E943-G947 PolarHBondContact OE2-N 3.5Å; E943-Y948 HydrophobicContact CB-CD2 4.03Å; E943-Y948 HydrophobicContact CB-CE2 4.47Å; E943-Y948 HydrophobicContact CG-CD2 3.48Å; E943-Y948 VanDerWaalsContact CG-CD2 3.48Å; E943-Y948 HydrophobicContact CG-CE2 3.54Å; E943-Y948 HydrophobicContact CG-CG 4.27Å; E943-C968 PolarHBondContact O-SG 3.16Å
944	A	79.8	Confident	91.2	Very high	94 Å²	94	46.4 Å²	46.4	78%	0.777	26%	0.257	S	S	*	.	S	Bend	trans	-69.3	-35.9	-171.7	0	0	0	0	0	114.2
945	D	85.8	Confident	91.3	Very high	144 Å²	144	46.1 Å²	46.1	77%	0.77	25%	0.251	S	S	*	.	S	Bend	trans	-106.4	0.4	178.6	-73.3	-44.3	0	0	0	112.6	E943	E943-D945 PolarHBondContact OE1-N 3.22Å; E943-D945 WeakPolarHBondContact OE2-CA 3.45Å; E943-D945 PolarHBondContact OE2-N 2.87Å
946	C	89.2	Confident	91.3	Very high	19 Å²	19	44.7 Å²	44.7	13%	0.128	25%	0.249	C	C	.	.			trans	53.9	52.2	-168.2	-59	0	0	0	0	112.1	E943 Y950 R966 C968	E943-C946 PolarHBondContact OE2-N 2.93Å; C946-Y950 VanDerWaalsContact O-CD1 3.29Å; C946-Y950 WeakPolarHBondContact O-CD1 3.4Å; C946-R966 HydrophobicContact CB-CG 4.02Å; C946-R966 WeakPolarHBondContact O-CD 3.34Å; C946-R966 PolarHBondContact O-NH1 3.22Å; C946-C968 WeakPolarHBondContact CA-SG 3.41Å; C946-C968 HydrophobicContact CB-CB 3.64Å; C946-C968 WeakPolarHBondContact CB-SG 3.36Å; C946-C968 WeakPolarHBondContact SG-CB 3.44Å; C946-C968 PolarHBondContact SG-N 3.25Å; C946-C968 CovalentContact SG-SG 2.04Å; C946-C968 PolarHBondContact SG-SG 2.78Å
947	G	86.6	Confident	91.4	Very high	45 Å²	45	48.3 Å²	48.3	46%	0.464	26%	0.256	S	S	.	.			trans	-79.7	-36.7	-179.5	0	0	0	0	0	115.7	E943	E943-G947 PolarHBondContact OE2-N 3.5Å
948	Y	89.5	Confident	91.5	Very high	120 Å²	120	50.2 Å²	50.2	47%	0.471	27%	0.266	S	S	.	.	S	Bend	trans	-83.4	-107.8	-180	-52	-45.7	0	0	0	110.8	E941 E943 Y950 D990	E941-Y948 WeakPolarHBondContact OE2-CB 3.4Å; E941-Y948 WeakPolarHBondContact OE2-CD2 3.47Å; E943-Y948 HydrophobicContact CB-CD2 4.03Å; E943-Y948 HydrophobicContact CB-CE2 4.47Å; E943-Y948 HydrophobicContact CG-CD2 3.48Å; E943-Y948 VanDerWaalsContact CG-CD2 3.48Å; E943-Y948 HydrophobicContact CG-CE2 3.54Å; E943-Y948 HydrophobicContact CG-CG 4.27Å; Y948-Y950 WeakPolarHBondContact O-CD1 3.1Å; Y948-Y950 WeakPolarHBondContact O-CE1 3.39Å; Y948-D990 WeakPolarHBondContact CB-OD2 3.02Å; Y948-D990 WeakPolarHBondContact CD1-OD2 3.28Å
949	D	94.6	Very high	91.3	Very high	2 Å²	2	52 Å²	52	1%	0.011	28%	0.284	C	S	.	.	S	Bend	trans	-77.2	133.4	175.8	-58.6	-21.8	0	0	0	112.7	Y913 V940 E941 C968 H988 S989 D990	Y913-D949 WeakPolarHBondContact CE2-OD2 3.33Å; Y913-D949 PolarHBondContact OH-OD2 2.9Å; V940-D949 HydrophobicContact CG1-CB 3.48Å; V940-D949 VanDerWaalsContact CG1-CB 3.48Å; E941-D949 HydrophobicContact CB-CB 3.82Å; E941-D949 WeakPolarHBondContact CB-OD2 3.05Å; D949-C968 VanDerWaalsContact O-CB 3.26Å; D949-C968 WeakPolarHBondContact O-CB 3.48Å; D949-H988 WeakPolarHBondContact CA-O 3.4Å; D949-S989 WeakPolarHBondContact OD1-CA 3.32Å; D949-S989 VanDerWaalsContact OD1-CB 3.28Å; D949-S989 WeakPolarHBondContact OD1-CB 3.1Å; D949-D990 PolarHBondContact OD1-N 3.31Å
950	Y	95.4	Very high	91.3	Very high	23 Å²	23	55.2 Å²	55.2	9%	0.09	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	156.7	177.7	57.3	-93.3	0	0	0	114.6	C946 Y948 E952 R966 F967 F987 H988	C946-Y950 VanDerWaalsContact O-CD1 3.29Å; C946-Y950 WeakPolarHBondContact O-CD1 3.4Å; Y948-Y950 WeakPolarHBondContact O-CD1 3.1Å; Y948-Y950 WeakPolarHBondContact O-CE1 3.39Å; Y950-E952 HydrophobicContact CD2-CG 3.84Å; Y950-E952 HydrophobicContact CE2-CG 4.07Å; Y950-E952 WeakPolarHBondContact CE2-OE2 3.13Å; Y950-R966 VanDerWaalsContact CD1-NH1 3.3Å; Y950-R966 HydrophobicContact CD2-CG 4.12Å; Y950-R966 VanDerWaalsContact CE2-CZ 3.41Å; Y950-R966 HydrophobicContact CG-CG 4.11Å; Y950-R966 VanDerWaalsContact CZ-CZ 3.46Å; Y950-R966 PolarHBondContact OH-NH2 2.85Å; Y950-F967 WeakPolarHBondContact CA-O 3.42Å; Y950-F987 WeakPolarHBondContact O-CA 3.3Å; Y950-F987 VanDerWaalsContact O-CD2 3.31Å; Y950-F987 WeakPolarHBondContact O-CD2 3.39Å; Y950-H988 HydrophobicContact CD1-CB 4.35Å; Y950-H988 HydrophobicContact CD2-CB 4.19Å; Y950-H988 HydrophobicContact CE1-CB 3.88Å; Y950-H988 AromaticContact CE1-CD2 3.53Å; Y950-H988 AromaticContact CE1-CG 3.96Å; Y950-H988 HydrophobicContact CE2-CB 3.74Å; Y950-H988 HydrophobicContact CG-CB 4.48Å; Y950-H988 AromaticContact CZ-CD2 3.8Å; Y950-H988 AromaticContact CZ-CG 3.79Å; Y950-H988 PolarHBondContact N-O 2.67Å; Y950-H988 PolarHBondContact O-N 3.43Å
951	I	95.4	Very high	91.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.2	160.7	-152.9	178.2	0	0	0	109.7	F935 F938 L953 R966 F967 I985 R986 F998	F935-I951 HydrophobicContact CE1-CD1 4.32Å; F938-I951 HydrophobicContact CE2-CB 4.1Å; F938-I951 HydrophobicContact CE2-CD1 4.42Å; F938-I951 HydrophobicContact CE2-CG2 3.64Å; F938-I951 HydrophobicContact CZ-CB 4.25Å; F938-I951 HydrophobicContact CZ-CG2 3.76Å; I951-L953 HydrophobicContact CD1-CD2 4.29Å; I951-L953 HydrophobicContact CG1-CD2 4.48Å; I951-R966 CarbonylContact O-C 3.54Å; I951-R966 VanDerWaalsContact O-CA 3.3Å; I951-R966 WeakPolarHBondContact O-CA 3.45Å; I951-F967 HydrophobicContact CG2-CB 3.91Å; I951-F967 HydrophobicContact CG2-CD2 3.91Å; I951-F967 HydrophobicContact CG2-CG 4.41Å; I951-F967 PolarHBondContact N-O 2.65Å; I951-F967 PolarHBondContact O-N 2.68Å; I951-I985 HydrophobicContact CD1-CG2 3.7Å; I951-I985 HydrophobicContact CG1-CG2 3.92Å; I951-R986 CarbonylContact C-O 3.57Å; I951-R986 VanDerWaalsContact CA-O 3.27Å; I951-R986 WeakPolarHBondContact CA-O 3.27Å; I951-R986 VanDerWaalsContact CG1-O 3.25Å; I951-R986 WeakPolarHBondContact CG1-O 3.42Å; I951-F998 HydrophobicContact CB-CE1 4.45Å; I951-F998 HydrophobicContact CD1-CD1 4.04Å; I951-F998 HydrophobicContact CD1-CE1 3.65Å; I951-F998 HydrophobicContact CD1-CE2 4.18Å; I951-F998 HydrophobicContact CD1-CG 4.47Å; I951-F998 HydrophobicContact CD1-CZ 3.73Å; I951-F998 HydrophobicContact CG1-CE1 4.06Å; I951-F998 HydrophobicContact CG1-CZ 4.35Å
952	E	95.3	Very high	91.1	Very high	7 Å²	7	62.1 Å²	62.1	3%	0.033	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.7	167.2	-77	-172.3	124.3	0	0	111.1	Y950 Y954 R963 G965 R966 I985 R986	Y950-E952 HydrophobicContact CD2-CG 3.84Å; Y950-E952 HydrophobicContact CE2-CG 4.07Å; Y950-E952 WeakPolarHBondContact CE2-OE2 3.13Å; E952-Y954 HydrophobicContact CB-CE2 3.69Å; E952-Y954 PolarHBondContact OE2-OH 3.35Å; E952-R963 WeakPolarHBondContact OE1-CD 3.38Å; E952-R963 IonicContact OE1-CZ 2.96Å; E952-R963 IonicContact OE1-NE 2.97Å; E952-R963 IonicContact OE1-NH1 3.14Å; E952-R963 PolarHBondContact OE1-NH1 2.69Å; E952-G965 WeakPolarHBondContact CA-O 3.49Å; E952-R966 HydrophobicContact CG-CB 3.74Å; E952-R966 HydrophobicContact CG-CG 3.74Å; E952-R966 IonicContact OE1-CZ 3.44Å; E952-R966 IonicContact OE1-NE 3.37Å; E952-R966 PolarHBondContact OE1-NE 3.17Å; E952-R966 IonicContact OE1-NH2 2.85Å; E952-R966 PolarHBondContact OE1-NH2 2.75Å; E952-R966 IonicContact OE2-CZ 3.42Å; E952-R966 IonicContact OE2-NE 3.47Å; E952-R966 IonicContact OE2-NH2 2.69Å; E952-R966 PolarHBondContact OE2-NH2 2.9Å; E952-I985 WeakPolarHBondContact O-CA 3.18Å; E952-R986 PolarHBondContact N-O 2.9Å; E952-R986 PolarHBondContact O-N 3.16Å
953	L	96.1	Very high	91.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.1	-178.2	-58.4	179.7	0	0	0	110	L933 F935 I951 R963 L964 G965 F967 I976 L984 I985	L933-L953 HydrophobicContact CD1-CD1 4.02Å; L933-L953 HydrophobicContact CD1-CD2 3.89Å; F935-L953 HydrophobicContact CZ-CD1 4.27Å; I951-L953 HydrophobicContact CD1-CD2 4.29Å; I951-L953 HydrophobicContact CG1-CD2 4.48Å; L953-R963 CarbonylContact O-C 3.13Å; L953-R963 WeakPolarHBondContact O-CA 3.26Å; L953-R963 WeakPolarHBondContact O-CG 3.49Å; L953-L964 HydrophobicContact CB-CB 4.04Å; L953-L964 HydrophobicContact CB-CD1 4.48Å; L953-L964 PolarHBondContact O-N 3.41Å; L953-G965 PolarHBondContact N-O 3.35Å; L953-G965 PolarHBondContact O-N 3.34Å; L953-F967 HydrophobicContact CD1-CD2 4.39Å; L953-F967 HydrophobicContact CD1-CE2 3.86Å; L953-F967 HydrophobicContact CG-CE2 4.27Å; L953-I976 HydrophobicContact CD1-CB 4Å; L953-I976 HydrophobicContact CD1-CG1 3.85Å; L953-I976 HydrophobicContact CD1-CG2 3.8Å; L953-L984 CarbonylContact C-O 3.56Å; L953-L984 WeakPolarHBondContact CA-O 3.18Å; L953-I985 HydrophobicContact CD2-CB 4.11Å; L953-I985 HydrophobicContact CD2-CD1 4.33Å; L953-I985 HydrophobicContact CD2-CG1 3.74Å; L953-I985 HydrophobicContact CD2-CG2 3.84Å
954	Y	96.1	Very high	91.5	Very high	21 Å²	21	61.1 Å²	61.1	8%	0.082	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.6	179	-53.9	-106.3	0	0	0	111.4	E952 G956 A959 R963 M983 L984	E952-Y954 HydrophobicContact CB-CE2 3.69Å; E952-Y954 PolarHBondContact OE2-OH 3.35Å; Y954-G956 PolarHBondContact O-N 3.15Å; Y954-G956 VanDerWaalsContact O-N 3.17Å; Y954-A959 HydrophobicContact CE1-CB 4.05Å; Y954-A959 WeakPolarHBondContact CE1-O 3.33Å; Y954-A959 HydrophobicContact CE2-CB 4.35Å; Y954-R963 HydrophobicContact CD1-CB 3.71Å; Y954-R963 HydrophobicContact CD1-CG 4.13Å; Y954-R963 HydrophobicContact CE1-CB 3.72Å; Y954-R963 HydrophobicContact CE1-CG 3.91Å; Y954-R963 HydrophobicContact CG-CB 4.49Å; Y954-M983 CarbonylContact O-C 3.42Å; Y954-M983 VanDerWaalsContact O-CA 3.28Å; Y954-M983 WeakPolarHBondContact O-CA 3.29Å; Y954-M983 WeakPolarHBondContact O-CG 3.41Å; Y954-L984 HydrophobicContact CD2-CB 4.33Å; Y954-L984 HydrophobicContact CD2-CD2 4.28Å; Y954-L984 PolarHBondContact N-O 2.95Å; Y954-L984 PolarHBondContact O-N 3.2Å
955	N	93.3	Very high	92	Very high	44 Å²	44	57.3 Å²	57.3	24%	0.235	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	82.4	173.3	173.3	11.7	0	0	0	109.9	A961 H962 L964 S978 G980	N955-A961 WeakPolarHBondContact O-CB 3.08Å; N955-H962 PolarHBondContact N-O 3.21Å; N955-L964 HydrophobicContact CB-CD1 4.12Å; N955-L964 HydrophobicContact CB-CD2 4.01Å; N955-L964 HydrophobicContact CB-CG 4.01Å; N955-S978 PolarHBondContact OD1-OG 2.92Å; N955-G980 PolarHBondContact OD1-N 3.35Å
956	G	91.7	Very high	92.5	Very high	13 Å²	13	54.2 Å²	54.2	13%	0.134	28%	0.278	C	S	.	.	S	Bend	trans	160.8	-165.4	179.5	0	0	0	0	0	113.1	Y954 A982 L984	Y954-G956 PolarHBondContact O-N 3.15Å; Y954-G956 VanDerWaalsContact O-N 3.17Å; G956-A982 PolarHBondContact N-O 3.14Å; G956-L984 PolarHBondContact O-N 3.14Å
957	Y	92	Very high	92.7	Very high	138 Å²	138	55.3 Å²	55.3	54%	0.541	28%	0.281	S	S	.	.	S	Bend	trans	-92.2	-13.4	-176.1	-62.6	-76.4	0	0	0	114.8	L922 T924 A982	L922-Y957 HydrophobicContact CD1-CD1 4.24Å; L922-Y957 HydrophobicContact CD2-CD1 4.27Å; T924-Y957 HydrophobicContact CG2-CE1 4.18Å; Y957-A982 HydrophobicContact CD1-CB 3.57Å; Y957-A982 HydrophobicContact CD2-CB 4.37Å; Y957-A982 HydrophobicContact CE1-CB 3.5Å; Y957-A982 VanDerWaalsContact CE1-CB 3.5Å; Y957-A982 HydrophobicContact CE2-CB 4.32Å; Y957-A982 HydrophobicContact CG-CB 4.03Å
958	D	91.7	Very high	93.1	Very high	71 Å²	71	53.9 Å²	53.9	38%	0.38	26%	0.263	S	S	.	.	S	Bend	trans	-145.2	175.4	-174.9	72.1	13	0	0	0	111.9	N960 A961	D958-N960 VanDerWaalsContact C-N 3.25Å; D958-N960 VanDerWaalsContact CG-ND2 3.32Å; D958-N960 PolarHBondContact O-N 3.09Å; D958-N960 WeakPolarHBondContact OD1-CA 3.22Å; D958-N960 VanDerWaalsContact OD1-CB 3.29Å; D958-N960 WeakPolarHBondContact OD1-CB 3.24Å; D958-N960 PolarHBondContact OD1-N 3.49Å; D958-N960 PolarHBondContact OD2-ND2 2.83Å; D958-A961 VanDerWaalsContact O-CB 3.32Å; D958-A961 WeakPolarHBondContact O-CB 3.35Å; D958-A961 PolarHBondContact O-N 3.47Å; D958-A961 PolarHBondContact OD1-N 3.43Å; D958-A961 VanDerWaalsContact OD1-N 3.09Å
959	A	89.1	Confident	93.1	Very high	54 Å²	54	48.4 Å²	48.4	45%	0.446	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.3	177.9	0	0	0	0	0	114.5	Y954 A961 L984	Y954-A959 HydrophobicContact CE1-CB 4.05Å; Y954-A959 WeakPolarHBondContact CE1-O 3.33Å; Y954-A959 HydrophobicContact CE2-CB 4.35Å; A959-A961 VanDerWaalsContact C-N 3.34Å; A959-L984 HydrophobicContact CB-CD2 4.41Å
960	N	91.6	Very high	92.8	Very high	148 Å²	148	52.9 Å²	52.9	79%	0.791	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.3	170.8	-53.6	-66.9	0	0	0	111.4	D958	D958-N960 VanDerWaalsContact C-N 3.25Å; D958-N960 VanDerWaalsContact CG-ND2 3.32Å; D958-N960 PolarHBondContact O-N 3.09Å; D958-N960 WeakPolarHBondContact OD1-CA 3.22Å; D958-N960 VanDerWaalsContact OD1-CB 3.29Å; D958-N960 WeakPolarHBondContact OD1-CB 3.24Å; D958-N960 PolarHBondContact OD1-N 3.49Å; D958-N960 PolarHBondContact OD2-ND2 2.83Å
961	A	90.4	Very high	92.4	Very high	27 Å²	27	52.7 Å²	52.7	22%	0.223	28%	0.28	C	S	.	.	S	Bend	trans	-67	173.4	177.2	0	0	0	0	0	112.8	N955 D958 A959 R963	N955-A961 WeakPolarHBondContact O-CB 3.08Å; D958-A961 VanDerWaalsContact O-CB 3.32Å; D958-A961 WeakPolarHBondContact O-CB 3.35Å; D958-A961 PolarHBondContact O-N 3.47Å; D958-A961 PolarHBondContact OD1-N 3.43Å; D958-A961 VanDerWaalsContact OD1-N 3.09Å; A959-A961 VanDerWaalsContact C-N 3.34Å; A961-R963 PolarHBondContact O-N 2.82Å
962	H	91.3	Very high	91.9	Very high	136 Å²	136	53.7 Å²	53.7	63%	0.63	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	110	-175.7	-176.9	65.8	0	0	0	111.5	N955 L964	N955-H962 PolarHBondContact N-O 3.21Å; H962-L964 PolarHBondContact O-N 3.5Å
963	R	94.4	Very high	90.7	Very high	129 Å²	129	65.3 Å²	65.3	49%	0.487	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	112.2	175.8	-170.8	175.5	61.2	-173.3	-2.6	110.6	E952 L953 Y954 A961 G965	E952-R963 WeakPolarHBondContact OE1-CD 3.38Å; E952-R963 IonicContact OE1-CZ 2.96Å; E952-R963 IonicContact OE1-NE 2.97Å; E952-R963 IonicContact OE1-NH1 3.14Å; E952-R963 PolarHBondContact OE1-NH1 2.69Å; L953-R963 CarbonylContact O-C 3.13Å; L953-R963 WeakPolarHBondContact O-CA 3.26Å; L953-R963 WeakPolarHBondContact O-CG 3.49Å; Y954-R963 HydrophobicContact CD1-CB 3.71Å; Y954-R963 HydrophobicContact CD1-CG 4.13Å; Y954-R963 HydrophobicContact CE1-CB 3.72Å; Y954-R963 HydrophobicContact CE1-CG 3.91Å; Y954-R963 HydrophobicContact CG-CB 4.49Å; A961-R963 PolarHBondContact O-N 2.82Å; R963-G965 VanDerWaalsContact C-N 3.31Å
964	L	92.3	Very high	89.9	Confident	49 Å²	49	72.2 Å²	72.2	26%	0.257	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-28.6	175.5	-65.5	169.9	0	0	0	112	L953 N955 H962 I976 M983	L953-L964 HydrophobicContact CB-CB 4.04Å; L953-L964 HydrophobicContact CB-CD1 4.48Å; L953-L964 PolarHBondContact O-N 3.41Å; N955-L964 HydrophobicContact CB-CD1 4.12Å; N955-L964 HydrophobicContact CB-CD2 4.01Å; N955-L964 HydrophobicContact CB-CG 4.01Å; H962-L964 PolarHBondContact O-N 3.5Å; L964-I976 HydrophobicContact CB-CG2 4.21Å; L964-I976 HydrophobicContact CD1-CG2 3.91Å; L964-M983 HydrophobicContact CD1-CE 4.05Å; L964-M983 HydrophobicContact CD1-CG 4.37Å
965	G	91.2	Very high	89.2	Confident	14 Å²	14	73.1 Å²	73.1	14%	0.144	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	170.6	169.8	0	0	0	0	0	113.6	E952 L953 R963	E952-G965 WeakPolarHBondContact CA-O 3.49Å; L953-G965 PolarHBondContact N-O 3.35Å; L953-G965 PolarHBondContact O-N 3.34Å; R963-G965 VanDerWaalsContact C-N 3.31Å
966	R	94.5	Very high	89.2	Confident	79 Å²	79	72.4 Å²	72.4	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.7	162.5	-179.6	179.8	-78.1	-136.9	-10.3	107	C946 Y950 I951 E952	C946-R966 HydrophobicContact CB-CG 4.02Å; C946-R966 WeakPolarHBondContact O-CD 3.34Å; C946-R966 PolarHBondContact O-NH1 3.22Å; Y950-R966 VanDerWaalsContact CD1-NH1 3.3Å; Y950-R966 HydrophobicContact CD2-CG 4.12Å; Y950-R966 VanDerWaalsContact CE2-CZ 3.41Å; Y950-R966 HydrophobicContact CG-CG 4.11Å; Y950-R966 VanDerWaalsContact CZ-CZ 3.46Å; Y950-R966 PolarHBondContact OH-NH2 2.85Å; I951-R966 CarbonylContact O-C 3.54Å; I951-R966 VanDerWaalsContact O-CA 3.3Å; I951-R966 WeakPolarHBondContact O-CA 3.45Å; E952-R966 HydrophobicContact CG-CB 3.74Å; E952-R966 HydrophobicContact CG-CG 3.74Å; E952-R966 IonicContact OE1-CZ 3.44Å; E952-R966 IonicContact OE1-NE 3.37Å; E952-R966 PolarHBondContact OE1-NE 3.17Å; E952-R966 IonicContact OE1-NH2 2.85Å; E952-R966 PolarHBondContact OE1-NH2 2.75Å; E952-R966 IonicContact OE2-CZ 3.42Å; E952-R966 IonicContact OE2-NE 3.47Å; E952-R966 IonicContact OE2-NH2 2.69Å; E952-R966 PolarHBondContact OE2-NH2 2.9Å
967	F	94.9	Very high	89.1	Confident	42 Å²	42	74.8 Å²	74.8	18%	0.184	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.7	-178.2	-44.6	-90.6	0	0	0	111.4	F938 Y950 I951 L953 P972 I976	F938-F967 HydrophobicContact CZ-CB 4.26Å; Y950-F967 WeakPolarHBondContact CA-O 3.42Å; I951-F967 HydrophobicContact CG2-CB 3.91Å; I951-F967 HydrophobicContact CG2-CD2 3.91Å; I951-F967 HydrophobicContact CG2-CG 4.41Å; I951-F967 PolarHBondContact N-O 2.65Å; I951-F967 PolarHBondContact O-N 2.68Å; L953-F967 HydrophobicContact CD1-CD2 4.39Å; L953-F967 HydrophobicContact CD1-CE2 3.86Å; L953-F967 HydrophobicContact CG-CE2 4.27Å; F967-P972 HydrophobicContact CD1-CB 3.89Å; F967-P972 HydrophobicContact CD1-CG 4.36Å; F967-P972 HydrophobicContact CE1-CB 3.82Å; F967-P972 HydrophobicContact CG-CB 4.45Å; F967-P972 HydrophobicContact CG-CG 4.44Å; F967-P972 HydrophobicContact CZ-CB 4.32Å; F967-I976 HydrophobicContact CZ-CD1 3.99Å
968	C	93.7	Very high	89.1	Confident	14 Å²	14	68.2 Å²	68.2	10%	0.095	35%	0.354	C	S	.	.			trans	-142.6	-174.6	174.9	66.3	0	0	0	0	108.8	V940 E941 E943 C946 D949 S970 G971	V940-C968 HydrophobicContact CG1-CB 4.44Å; E941-C968 VanDerWaalsContact O-CB 3.3Å; E941-C968 WeakPolarHBondContact O-CB 3.31Å; E943-C968 PolarHBondContact O-SG 3.16Å; C946-C968 WeakPolarHBondContact CA-SG 3.41Å; C946-C968 HydrophobicContact CB-CB 3.64Å; C946-C968 WeakPolarHBondContact CB-SG 3.36Å; C946-C968 WeakPolarHBondContact SG-CB 3.44Å; C946-C968 PolarHBondContact SG-N 3.25Å; C946-C968 CovalentContact SG-SG 2.04Å; C946-C968 PolarHBondContact SG-SG 2.78Å; D949-C968 VanDerWaalsContact O-CB 3.26Å; D949-C968 WeakPolarHBondContact O-CB 3.48Å; C968-S970 PolarHBondContact O-N 2.6Å; C968-G971 PolarHBondContact O-N 3.43Å
969	G	91	Very high	88.8	Confident	5 Å²	5	68.2 Å²	68.2	5%	0.052	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-118.9	179.7	0	0	0	0	0	112.7	F938 V940 E941	F938-G969 WeakPolarHBondContact CD1-O 3.49Å; V940-G969 PolarHBondContact N-O 3.29Å; V940-G969 VanDerWaalsContact O-CA 3.26Å; V940-G969 WeakPolarHBondContact O-CA 3.43Å; V940-G969 PolarHBondContact O-N 2.88Å; E941-G969 WeakPolarHBondContact O-CA 3.35Å; E941-G969 PolarHBondContact O-N 3.1Å
970	S	87.7	Confident	88.7	Confident	96 Å²	96	66.4 Å²	66.4	67%	0.671	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.1	177.2	51.9	0	0	0	0	114.7	C968	C968-S970 PolarHBondContact O-N 2.6Å
971	G	87.8	Confident	88.7	Confident	19 Å²	19	61.3 Å²	61.3	20%	0.196	32%	0.317	C	S	.	.			trans	79.1	-168.8	167.1	0	0	0	0	0	116.6	F938 C968	F938-G971 VanDerWaalsContact CD1-N 3.3Å; C968-G971 PolarHBondContact O-N 3.43Å
972	P	83.3	Confident	88.8	Confident	21 Å²	21	60 Å²	60	14%	0.136	31%	0.306	C	S	.	.			trans	-70.7	139.8	-179.4	28.8	-33.9	0	0	0	112	F935 F967 E974 I976	F935-P972 HydrophobicContact CD1-CG 4.42Å; F935-P972 HydrophobicContact CD2-CG 3.49Å; F935-P972 VanDerWaalsContact CD2-CG 3.49Å; F935-P972 HydrophobicContact CE1-CG 4.4Å; F935-P972 HydrophobicContact CE2-CG 3.48Å; F935-P972 VanDerWaalsContact CE2-CG 3.48Å; F935-P972 HydrophobicContact CG-CG 4Å; F935-P972 HydrophobicContact CZ-CG 3.96Å; F967-P972 HydrophobicContact CD1-CB 3.89Å; F967-P972 HydrophobicContact CD1-CG 4.36Å; F967-P972 HydrophobicContact CE1-CB 3.82Å; F967-P972 HydrophobicContact CG-CB 4.45Å; F967-P972 HydrophobicContact CG-CG 4.44Å; F967-P972 HydrophobicContact CZ-CB 4.32Å; P972-E974 VanDerWaalsContact C-N 3.33Å; P972-E974 PolarHBondContact O-N 3.46Å; P972-I976 HydrophobicContact CB-CD1 4.17Å; P972-I976 HydrophobicContact CB-CG1 4.37Å; P972-I976 HydrophobicContact CG-CG1 4.41Å
973	R	70.5	Confident	89	Confident	251 Å²	251	53.6 Å²	53.6	95%	0.947	28%	0.276	S	S	*	.	S	Bend	trans	-76.5	-16	-177.4	-63.2	-175.8	179.5	-170	0	114.7
974	E	79.4	Confident	89.1	Confident	146 Å²	146	47.5 Å²	47.5	68%	0.682	25%	0.254	S	S	*	.	S	Bend	trans	-136.7	166.7	179.3	-69	-172.4	-163.5	0	0	109.6	P972	P972-E974 VanDerWaalsContact C-N 3.33Å; P972-E974 PolarHBondContact O-N 3.46Å
975	G	82.1	Confident	89.3	Confident	40 Å²	40	45.2 Å²	45.2	41%	0.412	24%	0.241	S	C	.	.			trans	-64.9	147.5	172.9	0	0	0	0	0	112.6	L933	L933-G975 CarbonylContact O-C 3.52Å; L933-G975 WeakPolarHBondContact O-CA 3.1Å
976	I	92.2	Very high	89.5	Confident	29 Å²	29	48.5 Å²	48.5	15%	0.149	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.2	-178.6	-58.2	-63.6	0	0	0	109.3	L933 F935 L953 L964 F967 P972 M983	L933-I976 HydrophobicContact CB-CB 4.44Å; L933-I976 PolarHBondContact N-O 2.76Å; L933-I976 PolarHBondContact O-N 2.73Å; F935-I976 HydrophobicContact CE2-CG1 4.07Å; L953-I976 HydrophobicContact CD1-CB 4Å; L953-I976 HydrophobicContact CD1-CG1 3.85Å; L953-I976 HydrophobicContact CD1-CG2 3.8Å; L964-I976 HydrophobicContact CB-CG2 4.21Å; L964-I976 HydrophobicContact CD1-CG2 3.91Å; F967-I976 HydrophobicContact CZ-CD1 3.99Å; P972-I976 HydrophobicContact CB-CD1 4.17Å; P972-I976 HydrophobicContact CB-CG1 4.37Å; P972-I976 HydrophobicContact CG-CG1 4.41Å; I976-M983 HydrophobicContact CG2-CE 4.48Å
977	Y	91	Very high	89.6	Confident	63 Å²	63	44.7 Å²	44.7	25%	0.247	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123	179.8	-179.8	-107.4	0	0	0	111.4	E932 P979	E932-Y977 HydrophobicContact CB-CD2 4.08Å; Y977-P979 HydrophobicContact CE1-CB 4Å
978	S	90.1	Very high	89.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.2	162.7	-179.1	0	0	0	0	109.2	G930 I931 N955 G980 A982 M983	G930-S978 CarbonylContact C-O 3.53Å; G930-S978 WeakPolarHBondContact CA-O 3.49Å; I931-S978 PolarHBondContact N-O 3.34Å; I931-S978 PolarHBondContact O-N 3.16Å; N955-S978 PolarHBondContact OD1-OG 2.92Å; S978-G980 PolarHBondContact O-N 3.31Å; S978-G980 PolarHBondContact OG-N 3.11Å; S978-A982 PolarHBondContact OG-O 2.97Å; S978-M983 VanDerWaalsContact CB-CE 3.41Å
979	P	85.6	Confident	89.7	Confident	70 Å²	70	44.2 Å²	44.2	46%	0.455	23%	0.232	S	C	.	.	S	Bend	trans	-76.4	-7	169	33.2	-36	0	0	0	113	Y977	Y977-P979 HydrophobicContact CE1-CB 4Å
980	G	86.6	Confident	89.6	Confident	16 Å²	16	45.8 Å²	45.8	17%	0.165	24%	0.239	C	C	.	.	S	Bend	trans	-86.2	160.6	175	0	0	0	0	0	112.8	N955 S978 A982	N955-G980 PolarHBondContact OD1-N 3.35Å; S978-G980 PolarHBondContact O-N 3.31Å; S978-G980 PolarHBondContact OG-N 3.11Å; G980-A982 PolarHBondContact O-N 3.41Å
981	D	91.7	Very high	89.5	Confident	41 Å²	41	47.4 Å²	47.4	22%	0.219	24%	0.24	C	C	.	.	S	Bend	trans	-76.7	4.1	175.6	57.4	-21.6	0	0	0	113.6	T924 T925	T924-D981 CarbonylContact C-O 3.57Å; T924-D981 WeakPolarHBondContact CA-O 3.48Å; T925-D981 HydrophobicContact CG2-CB 4.28Å; T925-D981 PolarHBondContact N-O 3.42Å
982	A	94.1	Very high	89.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.2	173.4	0	0	0	0	0	112.2	L922 L923 G956 Y957 S978 G980	L922-A982 HydrophobicContact CD1-CB 4.33Å; L923-A982 WeakPolarHBondContact O-CA 3.33Å; G956-A982 PolarHBondContact N-O 3.14Å; Y957-A982 HydrophobicContact CD1-CB 3.57Å; Y957-A982 HydrophobicContact CD2-CB 4.37Å; Y957-A982 HydrophobicContact CE1-CB 3.5Å; Y957-A982 VanDerWaalsContact CE1-CB 3.5Å; Y957-A982 HydrophobicContact CE2-CB 4.32Å; Y957-A982 HydrophobicContact CG-CB 4.03Å; S978-A982 PolarHBondContact OG-O 2.97Å; G980-A982 PolarHBondContact O-N 3.41Å
983	M	95.3	Very high	88.8	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	124.2	168.3	-173	-167.6	-70.6	0	0	109.5	L923 I931 L933 Y954 L964 I976 S978 I985	L923-M983 HydrophobicContact CB-CB 4.44Å; L923-M983 PolarHBondContact N-O 3.28Å; L923-M983 PolarHBondContact O-N 3.07Å; I931-M983 HydrophobicContact CB-CE 4.34Å; I931-M983 HydrophobicContact CD1-CB 4.25Å; I931-M983 HydrophobicContact CG2-CE 4.26Å; I931-M983 WeakPolarHBondContact O-CE 3.5Å; L933-M983 HydrophobicContact CD1-CE 4.38Å; L933-M983 HydrophobicContact CD1-SD 3.53Å; L933-M983 VanDerWaalsContact CD1-SD 3.53Å; L933-M983 HydrophobicContact CD2-SD 4.08Å; L933-M983 HydrophobicContact CG-CE 3.97Å; L933-M983 HydrophobicContact CG-SD 3.65Å; Y954-M983 CarbonylContact O-C 3.42Å; Y954-M983 VanDerWaalsContact O-CA 3.28Å; Y954-M983 WeakPolarHBondContact O-CA 3.29Å; Y954-M983 WeakPolarHBondContact O-CG 3.41Å; L964-M983 HydrophobicContact CD1-CE 4.05Å; L964-M983 HydrophobicContact CD1-CG 4.37Å; I976-M983 HydrophobicContact CG2-CE 4.48Å; S978-M983 VanDerWaalsContact CB-CE 3.41Å; M983-I985 HydrophobicContact SD-CG1 4.43Å
984	L	95.8	Very high	89.5	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.9	170.8	-164.9	73.1	0	0	0	109.9	E920 L922 L953 Y954 G956 A959	E920-L984 HydrophobicContact CG-CD1 3.67Å; E920-L984 HydrophobicContact CG-CD2 4.36Å; E920-L984 HydrophobicContact CG-CG 4.13Å; L922-L984 HydrophobicContact CB-CD1 3.95Å; L922-L984 HydrophobicContact CD1-CD1 4.24Å; L953-L984 CarbonylContact C-O 3.56Å; L953-L984 WeakPolarHBondContact CA-O 3.18Å; Y954-L984 HydrophobicContact CD2-CB 4.33Å; Y954-L984 HydrophobicContact CD2-CD2 4.28Å; Y954-L984 PolarHBondContact N-O 2.95Å; Y954-L984 PolarHBondContact O-N 3.2Å; G956-L984 PolarHBondContact O-N 3.14Å; A959-L984 HydrophobicContact CB-CD2 4.41Å
985	I	95.9	Very high	90	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.5	174.8	-53.1	-176.2	0	0	0	107.2	L902 E920 W921 L923 L933 I951 E952 L953 M983	L902-I985 HydrophobicContact CD2-CD1 3.74Å; E920-I985 CarbonylContact C-O 3.52Å; E920-I985 WeakPolarHBondContact CA-O 3.4Å; W921-I985 HydrophobicContact CB-CB 4.32Å; W921-I985 HydrophobicContact CE3-CB 4.44Å; W921-I985 HydrophobicContact CE3-CG2 4.08Å; W921-I985 PolarHBondContact N-O 2.95Å; W921-I985 PolarHBondContact O-N 3.4Å; L923-I985 HydrophobicContact CD1-CD1 3.76Å; L923-I985 HydrophobicContact CD2-CD1 4.49Å; L923-I985 HydrophobicContact CG-CD1 3.96Å; L923-I985 HydrophobicContact CG-CG1 4.47Å; L933-I985 HydrophobicContact CD1-CD1 3.86Å; L933-I985 HydrophobicContact CD2-CD1 4.26Å; I951-I985 HydrophobicContact CD1-CG2 3.7Å; I951-I985 HydrophobicContact CG1-CG2 3.92Å; E952-I985 WeakPolarHBondContact O-CA 3.18Å; L953-I985 HydrophobicContact CD2-CB 4.11Å; L953-I985 HydrophobicContact CD2-CD1 4.33Å; L953-I985 HydrophobicContact CD2-CG1 3.74Å; L953-I985 HydrophobicContact CD2-CG2 3.84Å; M983-I985 HydrophobicContact SD-CG1 4.43Å
986	R	96	Very high	90.4	Very high	83 Å²	83	41.4 Å²	41.4	31%	0.313	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.6	168.4	-176.6	175.2	179	175.9	-1.6	109.4	D918 C919 I951 E952	D918-R986 VanDerWaalsContact CG-NH2 3.33Å; D918-R986 IonicContact OD1-CZ 2.73Å; D918-R986 VanDerWaalsContact OD1-CZ 3.24Å; D918-R986 IonicContact OD1-NE 2.74Å; D918-R986 PolarHBondContact OD1-NE 2.81Å; D918-R986 IonicContact OD1-NH2 2.72Å; D918-R986 PolarHBondContact OD1-NH2 3.49Å; D918-R986 IonicContact OD2-NH2 2.54Å; D918-R986 PolarHBondContact OD2-NH2 2.77Å; C919-R986 CarbonylContact O-C 3.56Å; C919-R986 WeakPolarHBondContact O-CA 3.47Å; I951-R986 CarbonylContact C-O 3.57Å; I951-R986 VanDerWaalsContact CA-O 3.27Å; I951-R986 WeakPolarHBondContact CA-O 3.27Å; I951-R986 VanDerWaalsContact CG1-O 3.25Å; I951-R986 WeakPolarHBondContact CG1-O 3.42Å; E952-R986 PolarHBondContact N-O 2.9Å; E952-R986 PolarHBondContact O-N 3.16Å
987	F	96.3	Very high	90.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.5	163.2	175.7	-122.6	0	0	0	108.6	Y913 C919 W921 V940 Y950 F998	Y913-F987 HydrophobicContact CD1-CZ 4.06Å; Y913-F987 HydrophobicContact CD2-CE1 4.21Å; Y913-F987 AromaticContact CD2-CZ 3.76Å; Y913-F987 HydrophobicContact CD2-CZ 3.76Å; Y913-F987 HydrophobicContact CE1-CZ 4.25Å; Y913-F987 AromaticContact CE2-CZ 3.97Å; Y913-F987 HydrophobicContact CE2-CZ 3.97Å; Y913-F987 HydrophobicContact CG-CE1 4.15Å; Y913-F987 AromaticContact CG-CZ 3.82Å; Y913-F987 HydrophobicContact CG-CZ 3.82Å; C919-F987 HydrophobicContact CB-CB 4.36Å; C919-F987 PolarHBondContact N-O 2.88Å; C919-F987 PolarHBondContact O-N 2.8Å; W921-F987 HydrophobicContact CH2-CB 4.26Å; W921-F987 HydrophobicContact CZ3-CB 3.75Å; V940-F987 HydrophobicContact CG1-CE2 4.23Å; V940-F987 HydrophobicContact CG2-CE2 4.29Å; Y950-F987 WeakPolarHBondContact O-CA 3.3Å; Y950-F987 VanDerWaalsContact O-CD2 3.31Å; Y950-F987 WeakPolarHBondContact O-CD2 3.39Å; F987-F998 HydrophobicContact CB-CE1 3.88Å; F987-F998 HydrophobicContact CB-CZ 4.04Å; F987-F998 HydrophobicContact CD1-CE1 4.37Å; F987-F998 HydrophobicContact CD2-CD1 4.4Å; F987-F998 AromaticContact CD2-CE1 3.64Å; F987-F998 HydrophobicContact CD2-CE1 3.64Å; F987-F998 HydrophobicContact CE2-CE1 4.27Å; F987-F998 AromaticContact CG-CE1 3.7Å; F987-F998 HydrophobicContact CG-CE1 3.7Å; F987-F998 HydrophobicContact CG-CZ 4.25Å
988	H	95.5	Very high	90.5	Very high	45 Å²	45	37 Å²	37	21%	0.208	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.2	175.1	-172.9	73.4	0	0	0	108.4	T917 D918 D949 Y950	T917-H988 CarbonylContact O-C 3.57Å; T917-H988 VanDerWaalsContact O-CA 3.27Å; T917-H988 WeakPolarHBondContact O-CA 3.39Å; D918-H988 VanDerWaalsContact CG-ND1 3.26Å; D918-H988 IonicContact OD1-CG 3.63Å; D918-H988 IonicContact OD1-ND1 2.84Å; D918-H988 PolarHBondContact OD1-ND1 2.73Å; D918-H988 IonicContact OD2-CE1 3.39Å; D918-H988 PolarHBondContact OD2-CE1 2.88Å; D918-H988 IonicContact OD2-ND1 2.84Å; D918-H988 PolarHBondContact OD2-ND1 3.24Å; D918-H988 VanDerWaalsContact OD2-ND1 3.14Å; D949-H988 WeakPolarHBondContact CA-O 3.4Å; Y950-H988 HydrophobicContact CD1-CB 4.35Å; Y950-H988 HydrophobicContact CD2-CB 4.19Å; Y950-H988 HydrophobicContact CE1-CB 3.88Å; Y950-H988 AromaticContact CE1-CD2 3.53Å; Y950-H988 AromaticContact CE1-CG 3.96Å; Y950-H988 HydrophobicContact CE2-CB 3.74Å; Y950-H988 HydrophobicContact CG-CB 4.48Å; Y950-H988 AromaticContact CZ-CD2 3.8Å; Y950-H988 AromaticContact CZ-CG 3.79Å; Y950-H988 PolarHBondContact N-O 2.67Å; Y950-H988 PolarHBondContact O-N 3.43Å
989	S	95	Very high	90.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	20%	0.201	C	C	.	.			trans	-129.9	146.4	165.3	59	0	0	0	0	112.2	P914 H916 T917 D949	P914-S989 PolarHBondContact O-OG 3.49Å; H916-S989 CarbonylContact C-O 3.52Å; H916-S989 WeakPolarHBondContact CA-O 3.44Å; H916-S989 PolarHBondContact N-O 2.95Å; T917-S989 PolarHBondContact N-O 2.81Å; T917-S989 PolarHBondContact N-OG 2.89Å; T917-S989 PolarHBondContact O-N 2.92Å; T917-S989 PolarHBondContact OG1-OG 2.83Å; D949-S989 WeakPolarHBondContact OD1-CA 3.32Å; D949-S989 VanDerWaalsContact OD1-CB 3.28Å; D949-S989 WeakPolarHBondContact OD1-CB 3.1Å
990	D	90.4	Very high	91.1	Very high	37 Å²	37	34.5 Å²	34.5	20%	0.198	18%	0.179	C	C	.	.			trans	-93.8	-173.9	174.1	85.9	29.3	0	0	0	112.7	G915 H916 Y948 D949 T992	G915-D990 CarbonylContact C-O 3.52Å; G915-D990 WeakPolarHBondContact CA-O 3.39Å; H916-D990 PolarHBondContact N-O 3.44Å; Y948-D990 WeakPolarHBondContact CB-OD2 3.02Å; Y948-D990 WeakPolarHBondContact CD1-OD2 3.28Å; D949-D990 PolarHBondContact OD1-N 3.31Å; D990-T992 PolarHBondContact O-N 2.73Å; D990-T992 WeakPolarHBondContact OD1-CA 3.29Å; D990-T992 WeakPolarHBondContact OD1-CB 3.32Å; D990-T992 PolarHBondContact OD1-N 3.19Å; D990-T992 PolarHBondContact OD1-OG1 2.82Å
991	D	85.6	Confident	91.5	Very high	130 Å²	130	38 Å²	38	70%	0.695	19%	0.187	S	C	*	.	S	Bend	trans	-72	0.4	-177.5	-71.2	-59.3	0	0	0	114.2	H916	H916-D991 IonicContact CD2-OD1 2.66Å; H916-D991 IonicContact CD2-OD2 2.72Å; H916-D991 IonicContact CG-OD1 2.65Å
992	T	77.9	Confident	91.6	Very high	70 Å²	70	36.7 Å²	36.7	43%	0.429	18%	0.179	S	C	.	.	S	Bend	trans	-130.2	168	-167.7	73.8	0	0	0	0	114.4	D990 S994	D990-T992 PolarHBondContact O-N 2.73Å; D990-T992 WeakPolarHBondContact OD1-CA 3.29Å; D990-T992 WeakPolarHBondContact OD1-CB 3.32Å; D990-T992 PolarHBondContact OD1-N 3.19Å; D990-T992 PolarHBondContact OD1-OG1 2.82Å; T992-S994 VanDerWaalsContact C-N 3.29Å; T992-S994 PolarHBondContact O-N 3.37Å
993	I	78	Confident	91.6	Very high	109 Å²	109	38.1 Å²	38.1	56%	0.559	19%	0.188	S	C	*	.			trans	37.5	44.8	168.3	-38.9	-171.1	0	0	0	116.4	E941 K995	E941-I993 HydrophobicContact CG-CB 3.91Å; E941-I993 HydrophobicContact CG-CG2 3.85Å; I993-K995 PolarHBondContact O-N 3.28Å
994	S	85.3	Confident	91.5	Very high	45 Å²	45	38.7 Å²	38.7	32%	0.315	19%	0.192	S	C	.	.			trans	-64.7	140.6	176.2	75.8	0	0	0	0	112.5	N912 Y913 T992	N912-S994 PolarHBondContact ND2-O 2.92Å; Y913-S994 WeakPolarHBondContact O-CB 3.44Å; Y913-S994 PolarHBondContact O-OG 2.89Å; Y913-S994 VanDerWaalsContact O-OG 3.13Å; T992-S994 VanDerWaalsContact C-N 3.29Å; T992-S994 PolarHBondContact O-N 3.37Å
995	K	89.7	Confident	91	Very high	62 Å²	62	39.7 Å²	39.7	27%	0.27	20%	0.199	S	C	.	.			trans	-117.3	-173.1	175.4	-65.6	-171.3	-161.9	158.3	0	110.5	N912 Y913 E939 V940 I993 G997	N912-K995 CarbonylContact C-O 3.54Å; N912-K995 WeakPolarHBondContact CA-O 3.45Å; N912-K995 WeakPolarHBondContact CB-O 3.43Å; N912-K995 VanDerWaalsContact OD1-C 3.31Å; Y913-K995 WeakPolarHBondContact CD1-O 3.34Å; Y913-K995 HydrophobicContact CE1-CB 4.01Å; Y913-K995 WeakPolarHBondContact CE1-O 3.47Å; Y913-K995 VanDerWaalsContact CZ-N 3.28Å; Y913-K995 PolarHBondContact N-O 3.08Å; Y913-K995 PolarHBondContact OH-N 2.98Å; E939-K995 WeakPolarHBondContact O-CB 3.29Å; V940-K995 WeakPolarHBondContact O-CD 3.44Å; V940-K995 WeakPolarHBondContact O-CE 3.44Å; V940-K995 PolarHBondContact O-NZ 3.43Å; I993-K995 PolarHBondContact O-N 3.28Å; K995-G997 PolarHBondContact O-N 2.04Å
996	K	89.6	Confident	90.1	Very high	66 Å²	66	43.8 Å²	43.8	29%	0.287	22%	0.217	S	C	.	.			trans	-64.4	-23.4	-178.8	-178.3	-168.6	169.7	-162.2	0	113.8	H905 F908 N912 T937 E939	H905-K996 PolarHBondContact CE1-O 2.96Å; F908-K996 WeakPolarHBondContact CD2-O 3.02Å; F908-K996 HydrophobicContact CE2-CG 4.15Å; F908-K996 WeakPolarHBondContact CE2-O 3.35Å; F908-K996 HydrophobicContact CZ-CG 4.48Å; N912-K996 PolarHBondContact OD1-N 2.7Å; T937-K996 HydrophobicContact CG2-CD 4.22Å; E939-K996 HydrophobicContact CB-CB 4.18Å; E939-K996 WeakPolarHBondContact OE1-CD 3.15Å; E939-K996 IonicContact OE1-NZ 3.74Å; E939-K996 PolarHBondContact OE1-NZ 2.88Å; E939-K996 WeakPolarHBondContact OE2-CD 3.4Å
997	G	92.5	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.4	-151.3	177.3	0	0	0	0	0	113.6	E939 K995	E939-G997 PolarHBondContact N-O 3.37Å; E939-G997 VanDerWaalsContact O-CA 3.3Å; E939-G997 WeakPolarHBondContact O-CA 3.01Å; E939-G997 PolarHBondContact O-N 2.03Å; K995-G997 PolarHBondContact O-N 2.04Å
998	F	93.6	Very high	86.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.8	-175.5	62.8	-104.1	0	0	0	115.1	S904 F908 W921 T937 F938 V940 I951 F987 V1000	S904-F998 PolarHBondContact N-O 3.18Å; S904-F998 PolarHBondContact OG-N 2.79Å; S904-F998 VanDerWaalsContact OG-N 3.07Å; S904-F998 PolarHBondContact OG-O 3.14Å; F908-F998 VanDerWaalsContact CE2-C 3.49Å; F908-F998 WeakPolarHBondContact CE2-O 3.48Å; W921-F998 HydrophobicContact CH2-CZ 4.09Å; W921-F998 AromaticContact CZ3-CZ 3.94Å; W921-F998 HydrophobicContact CZ3-CZ 3.94Å; T937-F998 CarbonylContact O-C 3.52Å; T937-F998 VanDerWaalsContact O-CA 3.23Å; T937-F998 WeakPolarHBondContact O-CA 3.04Å; T937-F998 WeakPolarHBondContact O-CB 3.19Å; F938-F998 HydrophobicContact CD2-CB 3.52Å; F938-F998 HydrophobicContact CD2-CD1 4.32Å; F938-F998 HydrophobicContact CD2-CG 4.23Å; F938-F998 HydrophobicContact CE2-CB 4.04Å; F938-F998 AromaticContact CE2-CD1 3.95Å; F938-F998 HydrophobicContact CE2-CD1 3.95Å; F938-F998 HydrophobicContact CE2-CG 4.29Å; F938-F998 HydrophobicContact CG-CB 4.29Å; V940-F998 HydrophobicContact CG2-CD1 4.4Å; I951-F998 HydrophobicContact CB-CE1 4.45Å; I951-F998 HydrophobicContact CD1-CD1 4.04Å; I951-F998 HydrophobicContact CD1-CE1 3.65Å; I951-F998 HydrophobicContact CD1-CE2 4.18Å; I951-F998 HydrophobicContact CD1-CG 4.47Å; I951-F998 HydrophobicContact CD1-CZ 3.73Å; I951-F998 HydrophobicContact CG1-CE1 4.06Å; I951-F998 HydrophobicContact CG1-CZ 4.35Å; F987-F998 HydrophobicContact CB-CE1 3.88Å; F987-F998 HydrophobicContact CB-CZ 4.04Å; F987-F998 HydrophobicContact CD1-CE1 4.37Å; F987-F998 HydrophobicContact CD2-CD1 4.4Å; F987-F998 AromaticContact CD2-CE1 3.64Å; F987-F998 HydrophobicContact CD2-CE1 3.64Å; F987-F998 HydrophobicContact CE2-CE1 4.27Å; F987-F998 AromaticContact CG-CE1 3.7Å; F987-F998 HydrophobicContact CG-CE1 3.7Å; F987-F998 HydrophobicContact CG-CZ 4.25Å; F998-V1000 HydrophobicContact CD2-CG2 3.83Å; F998-V1000 HydrophobicContact CE2-CG2 4.39Å
999	H	94.2	Very high	84.4	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.3	163.3	171.3	-158.3	0	0	0	108.2	N901 Y903 F908 V936 T937	N901-H999 PolarHBondContact OD1-NE2 3.22Å; Y903-H999 HydrophobicContact CD1-CB 3.83Å; Y903-H999 AromaticContact CD1-CD2 3.77Å; Y903-H999 AromaticContact CD1-CG 3.84Å; Y903-H999 HydrophobicContact CE1-CB 3.79Å; Y903-H999 AromaticContact CE1-CD2 3.26Å; Y903-H999 WeakPolarHBondContact CE1-CD2 3.49Å; Y903-H999 AromaticContact CE1-CE1 3.93Å; Y903-H999 AromaticContact CE1-CG 3.33Å; Y903-H999 AromaticContact CE1-ND1 3.76Å; Y903-H999 AromaticContact CE1-NE2 3.68Å; Y903-H999 AromaticContact CZ-CD2 3.64Å; Y903-H999 AromaticContact CZ-NE2 3.64Å; Y903-H999 PolarHBondContact OH-NE2 3.43Å; F908-H999 HydrophobicContact CE1-CB 3.7Å; F908-H999 HydrophobicContact CE2-CB 4.5Å; F908-H999 HydrophobicContact CZ-CB 3.69Å; V936-H999 HydrophobicContact CB-CB 4.35Å; V936-H999 PolarHBondContact N-O 3.39Å; T937-H999 PolarHBondContact N-O 3.49Å; T937-H999 PolarHBondContact O-N 3.17Å
1000	V	93.9	Very high	82.1	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.6	177.7	172.5	0	0	0	0	109.5	N901 L902 L933 F935 F998	N901-V1000 WeakPolarHBondContact CA-O 3.32Å; L902-V1000 HydrophobicContact CB-CB 4.28Å; L902-V1000 PolarHBondContact N-O 3.34Å; L902-V1000 PolarHBondContact O-N 3.37Å; L933-V1000 HydrophobicContact CB-CG1 4.09Å; L933-V1000 HydrophobicContact CD1-CG1 4.26Å; L933-V1000 HydrophobicContact CD2-CG1 3.87Å; L933-V1000 HydrophobicContact CG-CG1 4.3Å; F935-V1000 HydrophobicContact CD1-CG2 3.55Å; F935-V1000 HydrophobicContact CE1-CG2 3.37Å; F935-V1000 HydrophobicContact CG-CG2 4.33Å; F935-V1000 HydrophobicContact CZ-CG2 4Å; F998-V1000 HydrophobicContact CD2-CG2 3.83Å; F998-V1000 HydrophobicContact CE2-CG2 4.39Å
1001	R	94.6	Very high	80	Confident	89 Å²	89	64.6 Å²	64.6	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.1	164.5	-78.1	168.6	177.8	175.6	8.6	109.3	Q899 K900 N901 L933 S934 V936	Q899-R1001 HydrophobicContact CG-CB 4.02Å; Q899-R1001 HydrophobicContact CG-CG 4.25Å; K900-R1001 CarbonylContact O-C 3.25Å; K900-R1001 WeakPolarHBondContact O-CA 3.35Å; N901-R1001 WeakPolarHBondContact OD1-CG 3.33Å; L933-R1001 CarbonylContact C-O 3.6Å; L933-R1001 WeakPolarHBondContact CA-O 3.11Å; S934-R1001 PolarHBondContact N-O 3.04Å; S934-R1001 PolarHBondContact O-N 3.38Å; S934-R1001 WeakPolarHBondContact OG-CB 3.33Å; S934-R1001 PolarHBondContact OG-O 3.16Å; V936-R1001 HydrophobicContact CG2-CB 4.36Å; V936-R1001 HydrophobicContact CG2-CG 3.7Å
1002	Y	94.5	Very high	77.9	Confident	14 Å²	14	66.5 Å²	66.5	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.2	-179	67.4	-87.8	0	0	0	112.9	A895 K900 L902 L923 E932	A895-Y1002 HydrophobicContact CB-CD2 3.84Å; A895-Y1002 HydrophobicContact CB-CE2 4.16Å; K900-Y1002 HydrophobicContact CB-CD1 4.14Å; K900-Y1002 HydrophobicContact CB-CD2 4.23Å; K900-Y1002 HydrophobicContact CB-CE1 3.65Å; K900-Y1002 HydrophobicContact CB-CE2 3.76Å; K900-Y1002 HydrophobicContact CB-CG 4.41Å; K900-Y1002 VanDerWaalsContact CB-CZ 3.44Å; K900-Y1002 HydrophobicContact CD-CE2 3.89Å; K900-Y1002 HydrophobicContact CG-CE2 4.37Å; K900-Y1002 PolarHBondContact N-O 2.83Å; K900-Y1002 PolarHBondContact O-N 3.42Å; L902-Y1002 HydrophobicContact CB-CD1 4.05Å; L902-Y1002 HydrophobicContact CB-CE1 3.98Å; L923-Y1002 HydrophobicContact CD1-CD2 4.16Å; L923-Y1002 HydrophobicContact CD1-CG 4.06Å; L923-Y1002 HydrophobicContact CD2-CD2 4.45Å; L923-Y1002 HydrophobicContact CD2-CE2 4.34Å; E932-Y1002 VanDerWaalsContact O-CA 3.29Å; E932-Y1002 WeakPolarHBondContact O-CA 3.05Å
1003	T	94.1	Very high	76.3	Confident	31 Å²	31	67 Å²	67	19%	0.19	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162	179.1	43.3	0	0	0	0	109.9	D896 Q899 E932	D896-T1003 CarbonylContact O-C 3.47Å; Q899-T1003 HydrophobicContact CB-CG2 3.81Å; Q899-T1003 HydrophobicContact CG-CG2 4.17Å; E932-T1003 PolarHBondContact N-O 2.63Å; E932-T1003 PolarHBondContact O-N 2.72Å; E932-T1003 VanDerWaalsContact O-N 3.11Å
1004	S	92.7	Very high	74.5	Confident	11 Å²	11	70.3 Å²	70.3	8%	0.077	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.6	163.6	71.1	0	0	0	0	111.2	D896 A897 T925 G930	D896-S1004 WeakPolarHBondContact CA-OG 3.42Å; D896-S1004 PolarHBondContact O-N 3.44Å; D896-S1004 PolarHBondContact O-OG 2.93Å; A897-S1004 PolarHBondContact N-OG 3.31Å; T925-S1004 WeakPolarHBondContact OG1-CB 3.35Å; T925-S1004 PolarHBondContact OG1-OG 3.27Å; G930-S1004 CarbonylContact O-C 3.06Å; G930-S1004 VanDerWaalsContact O-CA 3.24Å; G930-S1004 WeakPolarHBondContact O-CA 3.47Å
1005	S	85.9	Confident	72.1	Confident	23 Å²	23	80.4 Å²	80.4	16%	0.161	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.4	178	58.4	0	0	0	0	111.9	G930	G930-S1005 PolarHBondContact N-O 2.88Å; G930-S1005 PolarHBondContact O-N 3.29Å
1006	K	78	Confident	71.2	Confident	87 Å²	87	81.4 Å²	81.4	38%	0.378	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.4	-176.4	-161.7	171.9	-171.2	164.8	0	110.3	Y929 Q1008 E1009	Y929-K1006 HydrophobicContact CD1-CB 3.96Å; Y929-K1006 HydrophobicContact CD1-CG 4.48Å; Y929-K1006 HydrophobicContact CE1-CB 3.71Å; Y929-K1006 HydrophobicContact CE1-CD 4.34Å; Y929-K1006 HydrophobicContact CE1-CG 4.18Å; Y929-K1006 HydrophobicContact CE2-CD 4.35Å; Y929-K1006 HydrophobicContact CE2-CG 4.42Å; K1006-Q1008 PolarHBondContact O-N 2.72Å; K1006-E1009 PolarHBondContact O-N 3.14Å; K1006-E1009 VanDerWaalsContact O-N 3.11Å
1007	F	60	Low	70.2	Confident	129 Å²	129	82.2 Å²	82.2	57%	0.566	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-26.3	-172	-173.7	-100.3	0	0	0	115.3
1008	Q	55	Low	69	Low	148 Å²	148	86.7 Å²	86.7	69%	0.692	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.9	-176.8	-65.7	-176.5	-66	0	0	115.2	K1006	K1006-Q1008 PolarHBondContact O-N 2.72Å
1009	E	52.4	Low	67.5	Low	140 Å²	140	91.8 Å²	91.8	65%	0.654	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-32.8	-172.8	-65.8	-178.7	141.9	0	0	113.1	K1006 L1011 H1012	K1006-E1009 PolarHBondContact O-N 3.14Å; K1006-E1009 VanDerWaalsContact O-N 3.11Å; E1009-L1011 PolarHBondContact O-N 3.21Å; E1009-L1011 VanDerWaalsContact O-N 3.09Å; E1009-H1012 PolarHBondContact O-N 3.01Å
1010	N	46.2	Very low	65.9	Low	52 Å²	52	96.5 Å²	96.5	28%	0.278	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-17	-177.6	-91.9	-34.1	0	0	0	114.7	H1012	N1010-H1012 VanDerWaalsContact C-N 3.28Å; N1010-H1012 PolarHBondContact O-N 3.13Å
1011	L	45.8	Very low	64	Low	134 Å²	134	102.9 Å²	102.9	70%	0.702	49%	0.488	S	S	*	.	H	α-helix	trans	-74.4	-14.2	174.7	-107.4	157.7	0	0	0	114	E1009	E1009-L1011 PolarHBondContact O-N 3.21Å; E1009-L1011 VanDerWaalsContact O-N 3.09Å
1012	H	42.4	Very low	61.8	Low	170 Å²	170	103.9 Å²	103.9	79%	0.787	50%	0.499	S	S	*	.	H	α-helix	trans	-103.7	-17.4	175.9	-81.7	-79.5	0	0	0	114	E1009 N1010	E1009-H1012 PolarHBondContact O-N 3.01Å; N1010-H1012 VanDerWaalsContact C-N 3.28Å; N1010-H1012 PolarHBondContact O-N 3.13Å
1013	A	43.2	Very low	59.3	Low	79 Å²	79	110.8 Å²	110.8	65%	0.653	53%	0.533	S	S	*	.	H	α-helix	trans	-90	-13.9	-178.3	0	0	0	0	0	114.7
1014	R	41.8	Very low	56.4	Low	180 Å²	180	117.5 Å²	117.5	68%	0.679	56%	0.562	S	S	*	*			trans	-115.6	50.2	-177.7	-64.4	-170.6	178.4	-149	0.6	112.4
1015	K	33.1	Very low	53.1	Low	257 Å²	257	127.2 Å²	127.2	100%	1.117	61%	0.606	S	S	*	*			trans	-145.4	0	-178.3	-140.9	-178.2	-172	-179	0	113.3

Retrieved 1,015 of 1,015 residues in 1101 ms (Link to these results)

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