A0A087Y011_POEFO Loading...

ST14 transmembrane serine protease matriptase a

AlphaFold DB , UniProt , Accession A0A087Y011, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 848 aa.

						>A0A087Y011_POEFO|A0A087Y011
MADPMESGIKYMPKLDKEYEESVEFLQTADSKKLEKGPGKTGAVIGAVIFAVVIGLMTGLLVWHFHFRKDEYAKRIYIGSMKIQNQAFDNAYESSDTREFKALAEQVQQELKTIYSSNPRLKKYYVNSTVNAFSEGVIAYYMSEFKVPVGQENSVDDAIAVLNQQDARGFPTKAKSRSSLQVTDMKTSVIDSRMSRTSYISETKSRIHTKPNEIVRIETTGFPAKSYKPNTFTQWELRGDEGSIIKLEFDAMYLEENCSNDFVKIYDSLVPIENRALEELCEHYSPSEPLTFYSSGNVMLVTMGTNDKYNFPGFRAHVSQVPPETLRKSCSTKLTGSKGTFSTPNFPNYYPPNIKCDWEIEVPSGKVVKVTFKKLLLAEPGQENGKNCDKDYVMIDKNKKLCGDHKDGNIFEISKTNKMTLEFLSDHSYVDRGFQAEYEAIDPVDPCPGKFHCRNGLCISQNLTCDGWNDCGDLSDEKNCKCTGDSLLTCGNGLCKSVFWKCDGVDDCGDGTDERGCGACDTGYITCTNKKCVSEQKQCDGKDDCGDNSDELNCKKNSEVQCTESTYKCKNGKCIDKKNPVCDGSSDCEDGSDEENCACGRKKLRSSTRIVGGEDAAQGEFPWQVSLHFQNYGHVCGASIISENWLVTAAHCVQNDGNLRFGEPATWEVFLGLHDQRKIESFVVKRKLKRIISNPNYNPNTFNNDIALMELDSPIKYSDHIQPICLPNADYKVPVGETVFITGWGATREGGPAAKVLQKAEVRIINHTECNKLMSYRLTSKMFCAGVLKGGVDACQGDSGGPLNILEGDCMLLAGVVSWGDGCARRNKPGIYTTVSEFRGWIKENTGV
					

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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	34.8	Very low	33.5	Very low	255 Å²	255	151.9 Å²	151.9	100%	1.256	82%	0.819	S	S	*	*				0	147.6	0	-91.4	158.7	141.1	0	0	107.6
2	A	30.4	Very low	33.4	Very low	88 Å²	88	152.3 Å²	152.3	73%	0.727	82%	0.815	S	S	*	*			trans	-96.9	153.6	-157.4	0	0	0	0	0	114.1
3	D	29.9	Very low	33.9	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	81%	0.812	S	S	*	*			trans	64.6	165.9	136.9	-86.1	12.7	0	0	0	120.7
4	P	54.2	Low	33.6	Very low	98 Å²	98	152.1 Å²	152.1	64%	0.636	81%	0.811	S	S	*	*				-144.2	-175.3	-57.1	41.2	-22.3	0	0	0	114
5	M	34.8	Very low	33.5	Very low	175 Å²	175	151.1 Å²	151.1	86%	0.862	81%	0.805	S	S	*	*			trans	25.7	154.9	140.2	-72.3	-177.5	127.7	0	0	125.2
6	E	35.7	Very low	33.3	Very low	188 Å²	188	150.1 Å²	150.1	88%	0.879	80%	0.799	S	S	*	*			trans	96	115.9	143.1	-99.9	-176.2	-174.1	0	0	120.2
7	S	30.9	Very low	33.4	Very low	125 Å²	125	151.2 Å²	151.2	87%	0.874	80%	0.795	S	S	*	*			trans	-148.8	136.3	147.5	69.5	0	0	0	0	110.4
8	G	28.7	Very low	33.2	Very low	62 Å²	62	152.6 Å²	152.6	64%	0.639	80%	0.797	S	S	*	*			trans	-129.1	169	154	0	0	0	0	0	108.4
9	I	32.3	Very low	33.2	Very low	153 Å²	153	154.2 Å²	154.2	79%	0.785	79%	0.793	S	S	*	*			trans	157.6	126.9	146.1	-84	157.1	0	0	0	111.6
10	K	28.3	Very low	33.2	Very low	168 Å²	168	154.4 Å²	154.4	73%	0.73	79%	0.79	S	S	*	*			trans	22.4	143.8	142.2	-45.9	171.1	-174.5	173.7	0	119.6
11	Y	27.9	Very low	33	Very low	208 Å²	208	156.4 Å²	156.4	82%	0.816	80%	0.796	S	S	*	*				-175	165.1	73.9	-122.2	-87	0	0	0	113.6
12	M	32.8	Very low	33	Very low	156 Å²	156	149.2 Å²	149.2	77%	0.768	77%	0.771	S	S	*	*			trans	-93.1	162.4	172	-64.3	176	67.6	0	0	113.7
13	P	40.4	Very low	33.2	Very low	119 Å²	119	150.3 Å²	150.3	77%	0.773	77%	0.769	S	S	*	*				-137.5	149.6	106.4	33.1	-17.6	0	0	0	113.1
14	K	29.8	Very low	33.4	Very low	183 Å²	183	150 Å²	150	80%	0.796	76%	0.763	S	S	*	*				52.4	140.6	72.5	-79.9	-163	177.9	-171.1	0	115.4
15	L	31.8	Very low	32.2	Very low	138 Å²	138	153.1 Å²	153.1	72%	0.723	77%	0.766	S	S	*	*			cis	-169.2	174.5	-21.9	-164.6	71.1	0	0	0	107.2
16	D	30.3	Very low	32.1	Very low	134 Å²	134	150.8 Å²	150.8	72%	0.717	76%	0.756	S	S	*	*			trans	85.3	156.1	161	-59.5	-39.2	0	0	0	119.1
17	K	35	Very low	31.8	Very low	169 Å²	169	150 Å²	150	74%	0.735	75%	0.753	S	S	*	*			cis	-178.5	138.7	-43.6	-142.8	-178	-178.8	-171.9	0	108.8
18	E	29.2	Very low	31.9	Very low	177 Å²	177	150.4 Å²	150.4	83%	0.827	75%	0.75	S	S	*	*			trans	174.1	124.8	147	-97	165.2	-178.9	0	0	109.7
19	Y	33.6	Very low	32	Very low	183 Å²	183	152.5 Å²	152.5	72%	0.718	76%	0.761	S	S	*	*				66.3	136.1	85.5	-85.1	-97.1	0	0	0	113.7
20	E	32.6	Very low	32.1	Very low	157 Å²	157	152.3 Å²	152.3	73%	0.734	76%	0.762	S	S	*	*			cis	-174.3	151.7	-14.5	-159.6	174.2	-138.6	0	0	108.7
21	E	30.6	Very low	32.3	Very low	197 Å²	197	149.8 Å²	149.8	92%	0.921	77%	0.766	S	S	*	*			trans	-169.3	166.1	146.7	-118.8	179.1	-172.4	0	0	113.4
22	S	33.3	Very low	32.7	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	77%	0.768	S	S	*	*			trans	-140.7	-178.5	-166.7	56.3	0	0	0	0	111.8
23	V	35.4	Very low	32.8	Very low	110 Å²	110	151.3 Å²	151.3	67%	0.667	77%	0.772	S	S	*	*				-158.3	162.8	54.5	171	0	0	0	0	111.7	F25	V23-F25 HydrophobicContact CG1-CE2 4.23Å
24	E	33.2	Very low	32.5	Very low	146 Å²	146	153.8 Å²	153.8	68%	0.682	78%	0.778	S	S	*	*			trans	-21.8	163.3	156.3	-91.4	172.2	151.5	0	0	120.6
25	F	29.6	Very low	33.1	Very low	162 Å²	162	153.6 Å²	153.6	71%	0.711	78%	0.78	S	S	*	*				-160.1	138.8	64.4	-86.3	-84	0	0	0	116.8	V23	V23-F25 HydrophobicContact CG1-CE2 4.23Å
26	L	31.9	Very low	33.3	Very low	126 Å²	126	157.1 Å²	157.1	66%	0.66	79%	0.79	S	S	*	*			trans	42.2	156.2	136.1	-63.5	178.9	0	0	0	121.8
27	Q	30.3	Very low	33.9	Very low	171 Å²	171	153.9 Å²	153.9	80%	0.799	79%	0.788	S	S	*	*			cis	-156	161.7	26.3	-150.4	165.6	49.3	0	0	113.6
28	T	33.8	Very low	34.6	Very low	134 Å²	134	152.3 Å²	152.3	82%	0.822	80%	0.795	S	S	*	*			trans	-92.4	152.9	-178	48.9	0	0	0	0	115
29	A	30.2	Very low	35.2	Very low	106 Å²	106	146.5 Å²	146.5	88%	0.876	78%	0.782	S	S	*	*			trans	-134.6	132.8	156.3	0	0	0	0	0	112.3
30	D	33.6	Very low	36.2	Very low	149 Å²	149	146.8 Å²	146.8	80%	0.797	79%	0.787	S	S	*	*			trans	-64.8	153.6	-166.2	-159.9	-7.7	0	0	0	116.7
31	S	32.3	Very low	37.1	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	78%	0.782	S	S	*	*				178.2	114.5	123.4	41.8	0	0	0	0	113.9
32	K	37.2	Very low	38.1	Very low	199 Å²	199	137.1 Å²	137.1	87%	0.865	76%	0.763	S	S	*	*			trans	-82.6	115.2	159.9	-88	-178.8	175.8	173.1	0	111.2
33	K	34.8	Very low	39.2	Very low	196 Å²	196	135.8 Å²	135.8	85%	0.852	76%	0.758	S	S	*	*			trans	154.5	119.7	134.5	-90.7	174.6	176.3	179.5	0	111.8
34	L	33.9	Very low	40.5	Very low	171 Å²	171	134.9 Å²	134.9	90%	0.895	75%	0.752	S	S	*	*				-178.6	130.5	117	-101.2	154.4	0	0	0	111
35	E	43.7	Very low	41.9	Very low	180 Å²	180	132.5 Å²	132.5	84%	0.841	74%	0.744	S	S	*	*			trans	-73	144.9	171.9	-57	166.4	119.2	0	0	110.9
36	K	35.2	Very low	43.7	Very low	212 Å²	212	126.8 Å²	126.8	92%	0.922	73%	0.73	S	S	*	*			trans	-167.1	141.6	138.7	-107.9	156.2	-173	176	0	112
37	G	43.4	Very low	45.6	Very low	65 Å²	65	123.7 Å²	123.7	67%	0.67	72%	0.723	S	S	*	*			trans	-73	-179.4	-174.9	0	0	0	0	0	115.3	G39	G37-G39 PolarHBondContact O-N 3.34Å
38	P	49.2	Very low	47.7	Very low	136 Å²	136	119.6 Å²	119.6	88%	0.883	71%	0.709	S	S	*	*			trans	-68.9	118.2	-163.6	27.2	-35.1	0	0	0	113	K40	P38-K40 PolarHBondContact O-N 3.26Å
39	G	41.9	Very low	49.7	Very low	55 Å²	55	118 Å²	118	57%	0.567	70%	0.695	S	S	*	*			trans	-69.4	120.2	172.4	0	0	0	0	0	111.6	G37 T41 G42	G37-G39 PolarHBondContact O-N 3.34Å; G39-T41 PolarHBondContact O-N 2.89Å; G39-G42 PolarHBondContact O-N 3.48Å
40	K	53.8	Low	52	Low	189 Å²	189	119.6 Å²	119.6	82%	0.822	68%	0.682	S	S	*	*	H	α-helix	trans	-52.5	-20.7	179.2	-68.5	-179.6	175.8	179.9	0	114.2	P38 G42 V44	P38-K40 PolarHBondContact O-N 3.26Å; K40-G42 PolarHBondContact O-N 2.82Å; K40-V44 WeakPolarHBondContact O-CG2 3.28Å; K40-V44 PolarHBondContact O-N 3.25Å
41	T	51.7	Low	54.3	Low	101 Å²	101	115.3 Å²	115.3	62%	0.62	67%	0.667	S	S	*	*	H	α-helix	trans	-60.7	-38.1	179.9	-19.1	0	0	0	0	113.6	G39 V44 I45	G39-T41 PolarHBondContact O-N 2.89Å; T41-V44 PolarHBondContact O-N 3.41Å; T41-I45 HydrophobicContact CG2-CD1 4.37Å; T41-I45 WeakPolarHBondContact O-CG1 3.2Å; T41-I45 PolarHBondContact O-N 3.31Å
42	G	51.6	Low	56.8	Low	51 Å²	51	113.8 Å²	113.8	53%	0.526	65%	0.653	S	S	.	*	H	α-helix	trans	-66.9	-41.3	-177.2	0	0	0	0	0	113.3	G39 K40 I45 G46	G39-G42 PolarHBondContact O-N 3.48Å; K40-G42 PolarHBondContact O-N 2.82Å; G42-I45 PolarHBondContact O-N 2.7Å; G42-G46 PolarHBondContact O-N 3.17Å; G42-G46 VanDerWaalsContact O-N 3.09Å
43	A	57.1	Low	59.1	Low	77 Å²	77	107.8 Å²	107.8	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-67.3	-35.7	175.9	0	0	0	0	0	112.3	A47	A43-A47 WeakPolarHBondContact O-CB 3.44Å; A43-A47 PolarHBondContact O-N 3.37Å
44	V	61.3	Low	61.5	Low	90 Å²	90	102.4 Å²	102.4	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-67.3	-43	175.8	173.8	0	0	0	0	111.2	K40 T41 G46 A47 V48	K40-V44 WeakPolarHBondContact O-CG2 3.28Å; K40-V44 PolarHBondContact O-N 3.25Å; T41-V44 PolarHBondContact O-N 3.41Å; V44-G46 PolarHBondContact O-N 3.2Å; V44-A47 PolarHBondContact O-N 3.35Å; V44-V48 HydrophobicContact CG1-CG2 4.34Å; V44-V48 WeakPolarHBondContact O-CB 3.31Å; V44-V48 VanDerWaalsContact O-CG2 3.3Å; V44-V48 WeakPolarHBondContact O-CG2 3.18Å; V44-V48 PolarHBondContact O-N 3.18Å
45	I	63.1	Low	64.1	Low	97 Å²	97	96 Å²	96	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-62	-44.9	176.5	-67.5	163	0	0	0	110.7	T41 G42 A47 V48 I49	T41-I45 HydrophobicContact CG2-CD1 4.37Å; T41-I45 WeakPolarHBondContact O-CG1 3.2Å; T41-I45 PolarHBondContact O-N 3.31Å; G42-I45 PolarHBondContact O-N 2.7Å; I45-A47 PolarHBondContact O-N 2.73Å; I45-V48 PolarHBondContact O-N 3.12Å; I45-I49 HydrophobicContact CG2-CD1 3.82Å; I45-I49 WeakPolarHBondContact O-CG1 3.4Å; I45-I49 PolarHBondContact O-N 2.72Å
46	G	66.9	Low	66.1	Low	41 Å²	41	92.8 Å²	92.8	42%	0.423	58%	0.576	S	S	.	*	H	α-helix	trans	-60.1	-43.7	174.8	0	0	0	0	0	113.3	G42 V44 I49 F50	G42-G46 PolarHBondContact O-N 3.17Å; G42-G46 VanDerWaalsContact O-N 3.09Å; V44-G46 PolarHBondContact O-N 3.2Å; G46-I49 PolarHBondContact O-N 2.8Å; G46-F50 WeakPolarHBondContact O-CB 3.32Å; G46-F50 PolarHBondContact O-N 3.47Å
47	A	71.8	Confident	68.3	Low	61 Å²	61	87.9 Å²	87.9	50%	0.504	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-38.8	177.3	0	0	0	0	0	112.9	A43 V44 I45 F50 A51	A43-A47 WeakPolarHBondContact O-CB 3.44Å; A43-A47 PolarHBondContact O-N 3.37Å; V44-A47 PolarHBondContact O-N 3.35Å; I45-A47 PolarHBondContact O-N 2.73Å; A47-F50 PolarHBondContact O-N 2.97Å; A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 3.45Å
48	V	76.1	Confident	70.1	Confident	85 Å²	85	88.2 Å²	88.2	52%	0.515	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-44.3	176.1	169.9	0	0	0	0	111	V44 I45 F50 A51 V52	V44-V48 HydrophobicContact CG1-CG2 4.34Å; V44-V48 WeakPolarHBondContact O-CB 3.31Å; V44-V48 VanDerWaalsContact O-CG2 3.3Å; V44-V48 WeakPolarHBondContact O-CG2 3.18Å; V44-V48 PolarHBondContact O-N 3.18Å; I45-V48 PolarHBondContact O-N 3.12Å; V48-F50 VanDerWaalsContact C-N 3.35Å; V48-F50 PolarHBondContact O-N 2.78Å; V48-A51 PolarHBondContact O-N 3.33Å; V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 3.04Å
49	I	75.9	Confident	71.6	Confident	101 Å²	101	83.5 Å²	83.5	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-44.5	175.8	-67.8	167.3	0	0	0	110.5	I45 G46 A51 V52 V53	I45-I49 HydrophobicContact CG2-CD1 3.82Å; I45-I49 WeakPolarHBondContact O-CG1 3.4Å; I45-I49 PolarHBondContact O-N 2.72Å; G46-I49 PolarHBondContact O-N 2.8Å; I49-A51 PolarHBondContact O-N 2.56Å; I49-V52 PolarHBondContact O-N 2.92Å; I49-V53 HydrophobicContact CG2-CG2 4.48Å; I49-V53 WeakPolarHBondContact O-CG2 3.35Å; I49-V53 PolarHBondContact O-N 3.31Å
50	F	78.5	Confident	73.3	Confident	139 Å²	139	85.7 Å²	85.7	61%	0.61	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-40.9	177.6	-169.8	-109.2	0	0	0	112.4	G46 A47 V48 V53 I54	G46-F50 WeakPolarHBondContact O-CB 3.32Å; G46-F50 PolarHBondContact O-N 3.47Å; A47-F50 PolarHBondContact O-N 2.97Å; V48-F50 VanDerWaalsContact C-N 3.35Å; V48-F50 PolarHBondContact O-N 2.78Å; F50-V53 PolarHBondContact O-N 3.42Å; F50-I54 HydrophobicContact CD1-CD1 3.81Å; F50-I54 HydrophobicContact CE1-CD1 3.37Å; F50-I54 HydrophobicContact CE1-CG1 4.42Å; F50-I54 HydrophobicContact CZ-CD1 3.77Å; F50-I54 WeakPolarHBondContact O-CG1 3.37Å; F50-I54 PolarHBondContact O-N 2.55Å
51	A	81.1	Confident	74.3	Confident	59 Å²	59	80.7 Å²	80.7	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-38	174.4	0	0	0	0	0	112.7	A47 V48 I49 I54 G55	A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 3.45Å; V48-A51 PolarHBondContact O-N 3.33Å; I49-A51 PolarHBondContact O-N 2.56Å; A51-I54 PolarHBondContact O-N 3.25Å; A51-G55 PolarHBondContact O-N 2.03Å
52	V	84.3	Confident	75.5	Confident	84 Å²	84	79.7 Å²	79.7	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-66.9	-41.1	174.3	169.2	0	0	0	0	111.3	V48 I49 G55 L56	V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 3.04Å; I49-V52 PolarHBondContact O-N 2.92Å; V52-G55 PolarHBondContact O-N 3.31Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 WeakPolarHBondContact O-CB 3.12Å; V52-L56 WeakPolarHBondContact O-CG 3.41Å; V52-L56 PolarHBondContact O-N 2.87Å
53	V	85	Confident	76.2	Confident	74 Å²	74	85.3 Å²	85.3	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-42.1	175.5	172	0	0	0	0	111.1	I49 F50 L56 M57	I49-V53 HydrophobicContact CG2-CG2 4.48Å; I49-V53 WeakPolarHBondContact O-CG2 3.35Å; I49-V53 PolarHBondContact O-N 3.31Å; F50-V53 PolarHBondContact O-N 3.42Å; V53-L56 PolarHBondContact O-N 2.75Å; V53-M57 HydrophobicContact CG1-CG 4.36Å; V53-M57 WeakPolarHBondContact O-CB 3.25Å; V53-M57 VanDerWaalsContact O-CG 3.27Å; V53-M57 WeakPolarHBondContact O-CG 3.46Å; V53-M57 PolarHBondContact O-N 3.09Å
54	I	86.2	Confident	76.5	Confident	82 Å²	82	85.9 Å²	85.9	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-64	-42.1	173	-72	176	0	0	0	110.8	F50 A51 L56 M57 T58	F50-I54 HydrophobicContact CD1-CD1 3.81Å; F50-I54 HydrophobicContact CE1-CD1 3.37Å; F50-I54 HydrophobicContact CE1-CG1 4.42Å; F50-I54 HydrophobicContact CZ-CD1 3.77Å; F50-I54 WeakPolarHBondContact O-CG1 3.37Å; F50-I54 PolarHBondContact O-N 2.55Å; A51-I54 PolarHBondContact O-N 3.25Å; I54-L56 PolarHBondContact O-N 3.14Å; I54-M57 PolarHBondContact O-N 3.49Å; I54-T58 HydrophobicContact CG2-CG2 4.22Å; I54-T58 WeakPolarHBondContact O-CB 3.23Å; I54-T58 WeakPolarHBondContact O-CG2 3.14Å; I54-T58 PolarHBondContact O-N 2.87Å; I54-T58 PolarHBondContact O-OG1 2.95Å
55	G	88	Confident	76.5	Confident	38 Å²	38	89.5 Å²	89.5	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-41.3	174.6	0	0	0	0	0	113.4	A51 V52 T58 G59	A51-G55 PolarHBondContact O-N 2.03Å; V52-G55 PolarHBondContact O-N 3.31Å; G55-T58 WeakPolarHBondContact CA-OG1 3.02Å; G55-T58 PolarHBondContact O-OG1 2.85Å; G55-G59 WeakPolarHBondContact O-CA 3.18Å; G55-G59 PolarHBondContact O-N 3.47Å
56	L	85.4	Confident	76.1	Confident	112 Å²	112	92 Å²	92	59%	0.586	51%	0.51	S	S	*	.	H	α-helix	trans	-69.9	-42.6	174.6	-76.9	168.8	0	0	0	112.3	V52 V53 I54 G59 L60	V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 WeakPolarHBondContact O-CB 3.12Å; V52-L56 WeakPolarHBondContact O-CG 3.41Å; V52-L56 PolarHBondContact O-N 2.87Å; V53-L56 PolarHBondContact O-N 2.75Å; I54-L56 PolarHBondContact O-N 3.14Å; L56-G59 PolarHBondContact O-N 3.04Å; L56-L60 VanDerWaalsContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.08Å; L56-L60 PolarHBondContact O-N 3.41Å
57	M	82.9	Confident	75.3	Confident	108 Å²	108	97.1 Å²	97.1	53%	0.532	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-44.9	177.8	-74.4	-67.7	-71.7	0	0	111.7	V53 I54 L60 L61	V53-M57 HydrophobicContact CG1-CG 4.36Å; V53-M57 WeakPolarHBondContact O-CB 3.25Å; V53-M57 VanDerWaalsContact O-CG 3.27Å; V53-M57 WeakPolarHBondContact O-CG 3.46Å; V53-M57 PolarHBondContact O-N 3.09Å; I54-M57 PolarHBondContact O-N 3.49Å; M57-L60 PolarHBondContact O-N 2.02Å; M57-L61 WeakPolarHBondContact O-CB 3.35Å; M57-L61 WeakPolarHBondContact O-CD1 3.05Å; M57-L61 WeakPolarHBondContact O-CG 3.07Å; M57-L61 PolarHBondContact O-N 2.03Å
58	T	80.9	Confident	74.3	Confident	72 Å²	72	103.1 Å²	103.1	44%	0.442	53%	0.53	S	S	.	.	H	α-helix	trans	-67.3	-38	174.1	51.9	0	0	0	0	111.9	I54 G55 L61 V62	I54-T58 HydrophobicContact CG2-CG2 4.22Å; I54-T58 WeakPolarHBondContact O-CB 3.23Å; I54-T58 WeakPolarHBondContact O-CG2 3.14Å; I54-T58 PolarHBondContact O-N 2.87Å; I54-T58 PolarHBondContact O-OG1 2.95Å; G55-T58 WeakPolarHBondContact CA-OG1 3.02Å; G55-T58 PolarHBondContact O-OG1 2.85Å; T58-L61 PolarHBondContact O-N 3.46Å; T58-V62 WeakPolarHBondContact O-CB 2.96Å; T58-V62 VanDerWaalsContact O-CG2 3.27Å; T58-V62 WeakPolarHBondContact O-CG2 3.41Å; T58-V62 PolarHBondContact O-N 3.38Å
59	G	80.4	Confident	73.1	Confident	38 Å²	38	107.1 Å²	107.1	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-60.7	-44.9	170.8	0	0	0	0	0	112.7	G55 L56 V62 W63	G55-G59 WeakPolarHBondContact O-CA 3.18Å; G55-G59 PolarHBondContact O-N 3.47Å; L56-G59 PolarHBondContact O-N 3.04Å; G59-V62 PolarHBondContact O-N 3.15Å; G59-W63 WeakPolarHBondContact O-CB 3.04Å; G59-W63 PolarHBondContact O-N 2.04Å
60	L	77.2	Confident	72.1	Confident	100 Å²	100	108.6 Å²	108.6	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-40.2	174.3	-97.5	163.9	0	0	0	112.3	L56 M57 W63 H64	L56-L60 VanDerWaalsContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.08Å; L56-L60 PolarHBondContact O-N 3.41Å; M57-L60 PolarHBondContact O-N 2.02Å; L60-W63 HydrophobicContact CD2-CE3 4.13Å; L60-W63 HydrophobicContact CD2-CZ3 4.49Å; L60-W63 PolarHBondContact O-N 3.41Å; L60-H64 WeakPolarHBondContact O-CB 3.46Å; L60-H64 PolarHBondContact O-N 3.34Å
61	L	76.1	Confident	71.8	Confident	85 Å²	85	108.2 Å²	108.2	45%	0.445	55%	0.55	S	S	.	.	H	α-helix	trans	-68.9	-43.6	176.9	-72.5	164.7	0	0	0	111.3	M57 T58 W63 H64 F65	M57-L61 WeakPolarHBondContact O-CB 3.35Å; M57-L61 WeakPolarHBondContact O-CD1 3.05Å; M57-L61 WeakPolarHBondContact O-CG 3.07Å; M57-L61 PolarHBondContact O-N 2.03Å; T58-L61 PolarHBondContact O-N 3.46Å; L61-W63 VanDerWaalsContact C-N 3.33Å; L61-H64 PolarHBondContact O-N 2.77Å; L61-F65 HydrophobicContact CB-CD2 4.48Å; L61-F65 HydrophobicContact CD2-CD2 4.25Å; L61-F65 HydrophobicContact CD2-CE2 3.82Å; L61-F65 WeakPolarHBondContact O-CB 3.42Å; L61-F65 VanDerWaalsContact O-CD2 3.29Å; L61-F65 WeakPolarHBondContact O-CD2 3.29Å; L61-F65 PolarHBondContact O-N 3.12Å
62	V	75	Confident	71.6	Confident	79 Å²	79	110.5 Å²	110.5	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-38.8	173.6	171.1	0	0	0	0	110.5	T58 G59 H66	T58-V62 WeakPolarHBondContact O-CB 2.96Å; T58-V62 VanDerWaalsContact O-CG2 3.27Å; T58-V62 WeakPolarHBondContact O-CG2 3.41Å; T58-V62 PolarHBondContact O-N 3.38Å; G59-V62 PolarHBondContact O-N 3.15Å; V62-H66 HydrophobicContact CG1-CB 4.14Å; V62-H66 VanDerWaalsContact O-CA 3.29Å; V62-H66 WeakPolarHBondContact O-CA 3.47Å; V62-H66 WeakPolarHBondContact O-CB 2.99Å; V62-H66 PolarHBondContact O-N 3.22Å
63	W	66.6	Low	71.4	Confident	169 Å²	169	107.7 Å²	107.7	64%	0.64	53%	0.532	S	S	*	.	I	π-helix	trans	-63.8	-46.6	173	-178.2	78.5	0	0	0	111.9	G59 L60 L61 F67 R68	G59-W63 WeakPolarHBondContact O-CB 3.04Å; G59-W63 PolarHBondContact O-N 2.04Å; L60-W63 HydrophobicContact CD2-CE3 4.13Å; L60-W63 HydrophobicContact CD2-CZ3 4.49Å; L60-W63 PolarHBondContact O-N 3.41Å; L61-W63 VanDerWaalsContact C-N 3.33Å; W63-F67 WeakPolarHBondContact O-CA 3.37Å; W63-F67 WeakPolarHBondContact O-CB 2.91Å; W63-F67 PolarHBondContact O-N 3.1Å; W63-R68 PolarHBondContact O-N 3.19Å
64	H	63.9	Low	71.4	Confident	90 Å²	90	110.3 Å²	110.3	42%	0.417	54%	0.537	S	S	.	.	I	π-helix	trans	-66.5	-39.2	-179.9	-172	-14.6	0	0	0	113	L60 L61 R68	L60-H64 WeakPolarHBondContact O-CB 3.46Å; L60-H64 PolarHBondContact O-N 3.34Å; L61-H64 PolarHBondContact O-N 2.77Å; H64-R68 WeakPolarHBondContact O-CB 2.95Å
65	F	62.3	Low	71.4	Confident	165 Å²	165	109.2 Å²	109.2	72%	0.724	53%	0.528	S	S	*	.	I	π-helix	trans	-96.3	-21.5	-176.2	-73.8	-69.1	0	0	0	114.6	L61	L61-F65 HydrophobicContact CB-CD2 4.48Å; L61-F65 HydrophobicContact CD2-CD2 4.25Å; L61-F65 HydrophobicContact CD2-CE2 3.82Å; L61-F65 WeakPolarHBondContact O-CB 3.42Å; L61-F65 VanDerWaalsContact O-CD2 3.29Å; L61-F65 WeakPolarHBondContact O-CD2 3.29Å; L61-F65 PolarHBondContact O-N 3.12Å
66	H	53.8	Low	71.4	Confident	151 Å²	151	108.5 Å²	108.5	70%	0.699	51%	0.514	S	S	*	.	I	π-helix	trans	-118.4	-18.2	-173.3	-151.1	-47.6	0	0	0	114	V62	V62-H66 HydrophobicContact CG1-CB 4.14Å; V62-H66 VanDerWaalsContact O-CA 3.29Å; V62-H66 WeakPolarHBondContact O-CA 3.47Å; V62-H66 WeakPolarHBondContact O-CB 2.99Å; V62-H66 PolarHBondContact O-N 3.22Å
67	F	49.7	Very low	71.5	Confident	147 Å²	147	103.2 Å²	103.2	65%	0.645	49%	0.487	S	S	*	.	I	π-helix	trans	-114	-5.4	178.2	-77.1	-83.5	0	0	0	114.8	W63 K69	W63-F67 WeakPolarHBondContact O-CA 3.37Å; W63-F67 WeakPolarHBondContact O-CB 2.91Å; W63-F67 PolarHBondContact O-N 3.1Å; F67-K69 PolarHBondContact O-N 2.9Å
68	R	51.8	Low	71.9	Confident	187 Å²	187	98.3 Å²	98.3	71%	0.706	46%	0.463	S	S	*	.	S	Bend	trans	-67.7	104.3	165.2	-153.2	179	-159.8	-177.2	6.4	107.6	W63 H64 D70	W63-R68 PolarHBondContact O-N 3.19Å; H64-R68 WeakPolarHBondContact O-CB 2.95Å; R68-D70 PolarHBondContact O-N 3.48Å
69	K	49.2	Very low	72.3	Confident	170 Å²	170	94.9 Å²	94.9	74%	0.739	44%	0.442	S	S	*	.			trans	-57.6	130.3	167.2	-71.9	178	179.5	174.1	0	107.2	F67 E71	F67-K69 PolarHBondContact O-N 2.9Å; K69-E71 HydrophobicContact CB-CG 4.16Å; K69-E71 PolarHBondContact O-N 2.79Å
70	D	56.1	Low	72.7	Confident	132 Å²	132	93.2 Å²	93.2	71%	0.706	42%	0.424	S	S	*	.			trans	-68.2	86.4	166.8	-70.7	-41	0	0	0	108	R68 Y72	R68-D70 PolarHBondContact O-N 3.48Å; D70-Y72 HydrophobicContact CB-CD2 4.25Å; D70-Y72 HydrophobicContact CB-CE2 3.54Å; D70-Y72 WeakPolarHBondContact O-CD2 3.4Å; D70-Y72 WeakPolarHBondContact O-CE2 3.48Å; D70-Y72 PolarHBondContact O-N 3.43Å
71	E	71.1	Confident	73.2	Confident	131 Å²	131	88.4 Å²	88.4	61%	0.612	40%	0.399	S	S	*	.			trans	-75.4	121.2	172.9	-68.7	-174.9	166.3	0	0	108.4	K69 V149	K69-E71 HydrophobicContact CB-CG 4.16Å; K69-E71 PolarHBondContact O-N 2.79Å; E71-V149 HydrophobicContact CB-CG2 4.03Å; E71-V149 WeakPolarHBondContact O-CG2 3.34Å; E71-V149 PolarHBondContact O-N 2.97Å
72	Y	78.4	Confident	73.8	Confident	107 Å²	107	89 Å²	89	42%	0.42	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.7	176.6	-68.8	-96.9	0	0	0	108.8	D70 K146 V147 P148	D70-Y72 HydrophobicContact CB-CD2 4.25Å; D70-Y72 HydrophobicContact CB-CE2 3.54Å; D70-Y72 WeakPolarHBondContact O-CD2 3.4Å; D70-Y72 WeakPolarHBondContact O-CE2 3.48Å; D70-Y72 PolarHBondContact O-N 3.43Å; Y72-K146 HydrophobicContact CD1-CD 4.43Å; Y72-K146 HydrophobicContact CD1-CG 3.81Å; Y72-K146 HydrophobicContact CG-CD 4.31Å; Y72-K146 HydrophobicContact CG-CG 3.9Å; Y72-V147 CarbonylContact C-O 3.58Å; Y72-V147 VanDerWaalsContact CA-O 3.3Å; Y72-V147 WeakPolarHBondContact CA-O 3.36Å; Y72-P148 HydrophobicContact CD1-CG 4.09Å; Y72-P148 HydrophobicContact CE1-CG 3.8Å
73	A	80.2	Confident	74.4	Confident	24 Å²	24	85.4 Å²	85.4	20%	0.198	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.4	167.7	0	0	0	0	0	110.3	V147 V149	A73-V147 PolarHBondContact N-O 2.68Å; A73-V147 PolarHBondContact O-N 2.69Å; A73-V149 HydrophobicContact CB-CG2 4.25Å
74	K	84.1	Confident	75.2	Confident	129 Å²	129	83.8 Å²	83.8	56%	0.561	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.6	165.1	177.7	173.7	176.2	132	0	107.7	I76 E144	K74-I76 HydrophobicContact CG-CG1 4.27Å; K74-E144 VanDerWaalsContact CE-OE1 3.29Å; K74-E144 WeakPolarHBondContact CE-OE1 3.5Å; K74-E144 WeakPolarHBondContact CE-OE2 3.28Å; K74-E144 HydrophobicContact CG-CG 4.29Å; K74-E144 IonicContact NZ-OE1 2.74Å; K74-E144 PolarHBondContact NZ-OE1 3.43Å; K74-E144 IonicContact NZ-OE2 3.83Å; K74-E144 PolarHBondContact NZ-OE2 2.78Å
75	R	86.4	Confident	76.2	Confident	60 Å²	60	82.6 Å²	82.6	23%	0.226	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.3	177	-157.5	73.6	165.6	178.3	7.7	108	Y77 F145 V147 E152 D156	R75-Y77 HydrophobicContact CB-CE2 4.15Å; R75-Y77 HydrophobicContact CG-CE2 3.64Å; R75-F145 HydrophobicContact CB-CB 4.43Å; R75-F145 PolarHBondContact N-O 3.24Å; R75-F145 PolarHBondContact O-N 3.38Å; R75-V147 HydrophobicContact CB-CG2 3.95Å; R75-E152 IonicContact CZ-OE2 3.98Å; R75-E152 IonicContact NE-OE2 2.72Å; R75-E152 IonicContact NH1-OE2 3.09Å; R75-E152 PolarHBondContact NH1-OE2 3.11Å; R75-D156 IonicContact CZ-OD2 2.99Å; R75-D156 IonicContact NE-OD1 2.65Å; R75-D156 IonicContact NE-OD2 3.19Å; R75-D156 IonicContact NH2-OD1 3.02Å; R75-D156 IonicContact NH2-OD2 2.67Å; R75-D156 PolarHBondContact NH2-OD2 2.92Å
76	I	87.3	Confident	77.2	Confident	22 Å²	22	77.5 Å²	77.5	11%	0.113	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.9	-179.3	-62.5	174	0	0	0	108.2	K74 M142 I190	K74-I76 HydrophobicContact CG-CG1 4.27Å; I76-M142 HydrophobicContact CG2-CG 3.37Å; I76-M142 HydrophobicContact CG2-SD 3.61Å; I76-I190 HydrophobicContact CB-CG2 3.72Å; I76-I190 HydrophobicContact CG2-CB 4.34Å; I76-I190 HydrophobicContact CG2-CG2 3.88Å; I76-I190 PolarHBondContact O-N 2.72Å; I76-I190 VanDerWaalsContact O-N 3.11Å
77	Y	89.1	Confident	78.7	Confident	1 Å²	1	74 Å²	74	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.5	172.1	-63.9	-94.1	0	0	0	109.6	R75 M142 S143 F145 V155 D156 I159 T187 S188 V189	R75-Y77 HydrophobicContact CB-CE2 4.15Å; R75-Y77 HydrophobicContact CG-CE2 3.64Å; Y77-M142 CarbonylContact O-C 3.45Å; Y77-M142 WeakPolarHBondContact O-CA 3.34Å; Y77-S143 PolarHBondContact N-O 3.06Å; Y77-S143 PolarHBondContact O-N 2.91Å; Y77-F145 AromaticContact CD2-CD2 3.39Å; Y77-F145 HydrophobicContact CD2-CD2 3.39Å; Y77-F145 AromaticContact CD2-CE2 3.69Å; Y77-F145 HydrophobicContact CD2-CE2 3.69Å; Y77-F145 HydrophobicContact CD2-CG 4.17Å; Y77-F145 HydrophobicContact CE2-CB 4.27Å; Y77-F145 AromaticContact CE2-CD2 3.75Å; Y77-F145 HydrophobicContact CE2-CD2 3.75Å; Y77-F145 HydrophobicContact CE2-CE2 4.25Å; Y77-F145 HydrophobicContact CE2-CG 4.06Å; Y77-F145 HydrophobicContact CG-CD2 4.49Å; Y77-F145 HydrophobicContact CG-CE2 4.44Å; Y77-V155 HydrophobicContact CE2-CG1 3.86Å; Y77-V155 WeakPolarHBondContact OH-CB 2.94Å; Y77-V155 VanDerWaalsContact OH-CG1 3.24Å; Y77-V155 WeakPolarHBondContact OH-CG1 3.43Å; Y77-D156 VanDerWaalsContact CE1-OD1 3.28Å; Y77-D156 WeakPolarHBondContact CE1-OD1 3.32Å; Y77-D156 VanDerWaalsContact CZ-OD1 3.27Å; Y77-D156 PolarHBondContact OH-OD1 3.01Å; Y77-I159 HydrophobicContact CD1-CB 4.46Å; Y77-I159 HydrophobicContact CD1-CG1 3.91Å; Y77-I159 HydrophobicContact CD1-CG2 4.22Å; Y77-I159 HydrophobicContact CE1-CB 4.24Å; Y77-I159 HydrophobicContact CE1-CG1 3.74Å; Y77-I159 HydrophobicContact CE1-CG2 4.42Å; Y77-T187 HydrophobicContact CD1-CG2 4.31Å; Y77-T187 HydrophobicContact CG-CG2 4.31Å; Y77-S188 CarbonylContact C-O 3.5Å; Y77-S188 WeakPolarHBondContact CA-O 3.17Å; Y77-S188 WeakPolarHBondContact CB-O 3.18Å; Y77-V189 HydrophobicContact CD1-CG2 4.1Å; Y77-V189 HydrophobicContact CE1-CB 4.47Å; Y77-V189 HydrophobicContact CE1-CG2 3.63Å
78	I	90.1	Very high	80.3	Confident	6 Å²	6	69 Å²	69	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.2	-177.6	-155.1	166.3	0	0	0	109.3	Y141 M142 T187 S188 I190 V270 P271	I78-Y141 WeakPolarHBondContact CA-O 3.4Å; I78-Y141 WeakPolarHBondContact CG1-O 3.15Å; I78-M142 HydrophobicContact CG1-CB 4.47Å; I78-T187 CarbonylContact O-C 3.58Å; I78-T187 WeakPolarHBondContact O-CA 3.47Å; I78-S188 PolarHBondContact N-O 2.7Å; I78-S188 PolarHBondContact O-N 2.94Å; I78-I190 HydrophobicContact CD1-CD1 4.28Å; I78-I190 HydrophobicContact CG2-CB 4.43Å; I78-V270 HydrophobicContact CD1-CB 3.79Å; I78-V270 HydrophobicContact CD1-CG2 4.11Å; I78-V270 HydrophobicContact CG1-CB 4.19Å; I78-V270 HydrophobicContact CG1-CG2 3.97Å; I78-P271 HydrophobicContact CD1-CG 3.93Å; I78-P271 VanDerWaalsContact CG2-O 3.25Å; I78-P271 WeakPolarHBondContact CG2-O 3.32Å
79	G	89	Confident	81.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	175.2	-171	0	0	0	0	0	115.4	Y140 Y141 K186	G79-Y140 WeakPolarHBondContact O-CA 3.11Å; G79-Y141 PolarHBondContact N-O 3.48Å; G79-Y141 PolarHBondContact O-N 3.48Å; G79-K186 CarbonylContact C-O 3.58Å; G79-K186 WeakPolarHBondContact CA-O 3.39Å
80	S	89.8	Confident	83.5	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.3	174.9	58.7	0	0	0	0	110.4	A139 M185 K186	S80-A139 CarbonylContact C-O 3.56Å; S80-A139 WeakPolarHBondContact CA-O 3.35Å; S80-M185 WeakPolarHBondContact O-CA 3.17Å; S80-K186 PolarHBondContact N-O 3.38Å; S80-K186 PolarHBondContact O-N 2.85Å
81	M	88.2	Confident	84.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.8	178.4	175	-174.7	-76.9	0	0	109.7	V107 L111 I114 I138 A139 Y141 V182 D184 M185	M81-V107 HydrophobicContact SD-CG1 4.23Å; M81-L111 HydrophobicContact CE-CD2 3.51Å; M81-L111 HydrophobicContact CE-CG 3.96Å; M81-I114 HydrophobicContact CE-CD1 3.61Å; M81-I138 CarbonylContact O-C 3.54Å; M81-I138 WeakPolarHBondContact O-CA 3.4Å; M81-A139 PolarHBondContact N-O 3.37Å; M81-A139 PolarHBondContact O-N 3.14Å; M81-Y141 HydrophobicContact CB-CD1 4.28Å; M81-Y141 HydrophobicContact CB-CE1 3.77Å; M81-V182 HydrophobicContact CE-CG1 4.24Å; M81-V182 HydrophobicContact CE-CG2 4.12Å; M81-V182 HydrophobicContact CG-CB 4.41Å; M81-V182 HydrophobicContact CG-CG1 3.59Å; M81-V182 HydrophobicContact CG-CG2 4Å; M81-V182 HydrophobicContact SD-CB 4.48Å; M81-V182 HydrophobicContact SD-CG1 4.11Å; M81-V182 HydrophobicContact SD-CG2 3.52Å; M81-V182 VanDerWaalsContact SD-CG2 3.52Å; M81-D184 CarbonylContact C-O 3.59Å; M81-D184 WeakPolarHBondContact CA-O 3.33Å; M81-M185 HydrophobicContact CE-CG 4.09Å; M81-M185 HydrophobicContact CE-SD 3.51Å; M81-M185 VanDerWaalsContact CE-SD 3.51Å
82	K	87.7	Confident	85.7	Confident	98 Å²	98	51.4 Å²	51.4	43%	0.426	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.1	-179.1	-170.3	175.4	-176.5	172.3	0	112	I138 V182 T183 D184	K82-I138 HydrophobicContact CG-CG1 4.31Å; K82-V182 WeakPolarHBondContact O-CA 3.37Å; K82-T183 PolarHBondContact O-N 3.42Å; K82-T183 PolarHBondContact O-OG1 2.57Å; K82-D184 HydrophobicContact CB-CB 4.05Å; K82-D184 PolarHBondContact N-O 2.95Å
83	I	88.1	Confident	86	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.8	-173.7	-54.4	171.5	0	0	0	109.4	Q86 V107 V137 A139 L180	I83-Q86 HydrophobicContact CG2-CB 4.03Å; I83-Q86 HydrophobicContact CG2-CG 3.67Å; I83-V107 HydrophobicContact CD1-CG2 3.6Å; I83-V137 HydrophobicContact CB-CB 4.29Å; I83-V137 HydrophobicContact CB-CG1 4.05Å; I83-V137 HydrophobicContact CD1-CG1 4.07Å; I83-V137 HydrophobicContact CG1-CG1 4.49Å; I83-V137 PolarHBondContact N-O 2.68Å; I83-A139 HydrophobicContact CD1-CB 4.25Å; I83-L180 HydrophobicContact CD1-CD1 4.23Å; I83-L180 HydrophobicContact CG2-CB 4.33Å; I83-L180 HydrophobicContact CG2-CD2 4.16Å
84	Q	83.6	Confident	86.1	Confident	135 Å²	135	50 Å²	50	63%	0.631	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-32.2	-171.5	-176.4	175.7	3.2	0	0	114.1	Q181 T183	Q84-Q181 HydrophobicContact CB-CB 4.48Å; Q84-Q181 PolarHBondContact N-O 3.18Å; Q84-T183 HydrophobicContact CB-CG2 3.74Å; Q84-T183 HydrophobicContact CG-CG2 4.45Å; Q84-T183 VanDerWaalsContact OE1-CG2 3.27Å
85	N	84.4	Confident	86.1	Confident	64 Å²	64	45.7 Å²	45.7	34%	0.342	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	25.7	-171.1	71.9	-41.5	0	0	0	113.9	S179 Q181	N85-S179 PolarHBondContact ND2-O 3.08Å; N85-Q181 HydrophobicContact CB-CB 4.28Å; N85-Q181 HydrophobicContact CB-CG 4.31Å; N85-Q181 PolarHBondContact OD1-N 3.11Å
86	Q	84.1	Confident	86.2	Confident	59 Å²	59	47.8 Å²	47.8	28%	0.276	26%	0.259	S	S	.	.			trans	-127.1	141.5	173.4	-67	-66.9	-3.7	0	0	108.8	I83 L103 V137 L180	I83-Q86 HydrophobicContact CG2-CB 4.03Å; I83-Q86 HydrophobicContact CG2-CG 3.67Å; Q86-L103 HydrophobicContact CG-CD1 4.26Å; Q86-V137 HydrophobicContact CB-CB 4.23Å; Q86-V137 HydrophobicContact CB-CG1 3.98Å; Q86-V137 HydrophobicContact CB-CG2 3.94Å; Q86-V137 VanDerWaalsContact O-CG2 3.27Å; Q86-V137 WeakPolarHBondContact O-CG2 2.96Å; Q86-L180 HydrophobicContact CG-CD2 4.07Å
87	A	84.1	Confident	86.4	Confident	78 Å²	78	48.4 Å²	48.4	65%	0.645	26%	0.264	S	S	*	.			trans	-88.6	149.7	167.3	0	0	0	0	0	109.3
88	F	83.6	Confident	86.5	Confident	42 Å²	42	58.4 Å²	58.4	18%	0.184	30%	0.301	C	S	.	.			trans	-73.4	138.3	172.7	-172.1	-101.8	0	0	0	109.8	Y92 E93 F133 S134 E135 V137	F88-Y92 HydrophobicContact CD2-CD2 4.1Å; F88-Y92 HydrophobicContact CE2-CD2 4.39Å; F88-E93 HydrophobicContact CZ-CG 4.13Å; F88-F133 HydrophobicContact CE2-CB 4.28Å; F88-S134 VanDerWaalsContact CD2-O 3.31Å; F88-S134 WeakPolarHBondContact CD2-O 3.26Å; F88-E135 HydrophobicContact CD1-CG 4.02Å; F88-E135 HydrophobicContact CE1-CG 4.05Å; F88-E135 HydrophobicContact CG-CG 4.39Å; F88-E135 HydrophobicContact CZ-CG 4.44Å; F88-V137 HydrophobicContact CB-CG2 4.14Å
89	D	84.6	Confident	86.6	Confident	79 Å²	79	62.4 Å²	62.4	42%	0.422	32%	0.32	S	S	.	.			trans	-123.8	134.4	174.8	-171.2	-47.6	0	0	0	107.1	A91 Y92	D89-A91 PolarHBondContact O-N 2.83Å; D89-A91 VanDerWaalsContact O-N 3.09Å; D89-A91 VanDerWaalsContact OD1-CB 3.26Å; D89-A91 WeakPolarHBondContact OD1-CB 3.04Å; D89-A91 PolarHBondContact OD1-N 2.03Å; D89-Y92 HydrophobicContact CB-CD2 3.91Å; D89-Y92 HydrophobicContact CB-CE1 4.35Å; D89-Y92 HydrophobicContact CB-CE2 3.69Å; D89-Y92 HydrophobicContact CB-CG 4.31Å; D89-Y92 VanDerWaalsContact N-CD2 3.33Å; D89-Y92 VanDerWaalsContact O-CB 3.26Å; D89-Y92 WeakPolarHBondContact O-CB 3.04Å; D89-Y92 WeakPolarHBondContact O-CD2 3.46Å; D89-Y92 PolarHBondContact O-N 3.11Å
90	N	84.1	Confident	86.7	Confident	119 Å²	119	63 Å²	63	64%	0.636	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-59.6	-22.8	-179.7	-60.9	-0.8	0	0	0	112	Y92 E93	N90-Y92 PolarHBondContact O-N 2.72Å; N90-E93 WeakPolarHBondContact O-CB 3.45Å; N90-E93 WeakPolarHBondContact O-CG 3.31Å; N90-E93 PolarHBondContact O-N 2.77Å; N90-E93 VanDerWaalsContact O-N 3.11Å
91	A	85.6	Confident	86.9	Confident	24 Å²	24	67.6 Å²	67.6	20%	0.198	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.5	170.9	0	0	0	0	0	113.2	D89 E93 T97 E99	D89-A91 PolarHBondContact O-N 2.83Å; D89-A91 VanDerWaalsContact O-N 3.09Å; D89-A91 VanDerWaalsContact OD1-CB 3.26Å; D89-A91 WeakPolarHBondContact OD1-CB 3.04Å; D89-A91 PolarHBondContact OD1-N 2.03Å; A91-E93 VanDerWaalsContact C-N 3.29Å; A91-E93 PolarHBondContact O-N 2.04Å; A91-T97 HydrophobicContact CB-CG2 4.3Å; A91-T97 WeakPolarHBondContact O-CB 3.41Å; A91-T97 WeakPolarHBondContact O-CG2 3.1Å; A91-T97 PolarHBondContact O-OG1 2.71Å; A91-E99 HydrophobicContact CB-CB 3.77Å; A91-E99 HydrophobicContact CB-CG 3.9Å
92	Y	86.7	Confident	87	Confident	27 Å²	27	70 Å²	70	11%	0.106	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-76.9	-7.6	175.9	-53.7	-34.5	0	0	0	114.2	F88 D89 N90 S94 E99 F100 L103 F133	F88-Y92 HydrophobicContact CD2-CD2 4.1Å; F88-Y92 HydrophobicContact CE2-CD2 4.39Å; D89-Y92 HydrophobicContact CB-CD2 3.91Å; D89-Y92 HydrophobicContact CB-CE1 4.35Å; D89-Y92 HydrophobicContact CB-CE2 3.69Å; D89-Y92 HydrophobicContact CB-CG 4.31Å; D89-Y92 VanDerWaalsContact N-CD2 3.33Å; D89-Y92 VanDerWaalsContact O-CB 3.26Å; D89-Y92 WeakPolarHBondContact O-CB 3.04Å; D89-Y92 WeakPolarHBondContact O-CD2 3.46Å; D89-Y92 PolarHBondContact O-N 3.11Å; N90-Y92 PolarHBondContact O-N 2.72Å; Y92-S94 VanDerWaalsContact C-N 3.28Å; Y92-S94 PolarHBondContact O-N 2.92Å; Y92-E99 HydrophobicContact CD1-CB 4.16Å; Y92-E99 HydrophobicContact CE1-CB 3.9Å; Y92-F100 WeakPolarHBondContact O-CD2 3.15Å; Y92-L103 HydrophobicContact CD1-CD2 4.42Å; Y92-L103 HydrophobicContact CD2-CD2 4.23Å; Y92-L103 HydrophobicContact CE1-CB 4.21Å; Y92-L103 HydrophobicContact CE1-CD2 4.03Å; Y92-L103 HydrophobicContact CE2-CD2 3.85Å; Y92-F133 HydrophobicContact CG-CD2 4.47Å
93	E	84.1	Confident	87.2	Confident	63 Å²	63	65.4 Å²	65.4	29%	0.294	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-67.1	-31.8	173.5	-68.2	-178.9	173.1	0	0	112.2	F88 N90 A91 H208	F88-E93 HydrophobicContact CZ-CG 4.13Å; N90-E93 WeakPolarHBondContact O-CB 3.45Å; N90-E93 WeakPolarHBondContact O-CG 3.31Å; N90-E93 PolarHBondContact O-N 2.77Å; N90-E93 VanDerWaalsContact O-N 3.11Å; A91-E93 VanDerWaalsContact C-N 3.29Å; A91-E93 PolarHBondContact O-N 2.04Å; E93-H208 IonicContact OE1-CE1 2.64Å; E93-H208 IonicContact OE1-ND1 3.74Å; E93-H208 IonicContact OE2-ND1 2.78Å
94	S	83.7	Confident	87.4	Confident	40 Å²	40	65.5 Å²	65.5	28%	0.28	34%	0.343	S	S	.	.	S	Bend	trans	-109.1	124.3	-177	176.2	0	0	0	0	112	Y92 D96 T97 F100	Y92-S94 VanDerWaalsContact C-N 3.28Å; Y92-S94 PolarHBondContact O-N 2.92Å; S94-D96 PolarHBondContact O-N 2.04Å; S94-D96 PolarHBondContact OG-N 2.95Å; S94-T97 PolarHBondContact O-N 2.73Å; S94-T97 PolarHBondContact O-OG1 3.03Å; S94-F100 WeakPolarHBondContact O-CB 3.08Å
95	S	84.6	Confident	87.8	Confident	38 Å²	38	64.6 Å²	64.6	27%	0.266	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.5	176.1	53.7	0	0	0	0	114.6	K101 R206	S95-K101 VanDerWaalsContact O-CE 3.23Å; S95-K101 WeakPolarHBondContact O-CE 3.33Å; S95-R206 PolarHBondContact OG-NH1 2.88Å
96	D	87	Confident	88.2	Confident	103 Å²	103	64.3 Å²	64.3	55%	0.551	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-18.1	-172.3	-63.2	-54	0	0	0	113.6	S94 K101 R206	S94-D96 PolarHBondContact O-N 2.04Å; S94-D96 PolarHBondContact OG-N 2.95Å; D96-K101 PolarHBondContact O-NZ 3.08Å; D96-R206 IonicContact OD2-NH2 2.66Å
97	T	91.8	Very high	88.5	Confident	35 Å²	35	61.5 Å²	61.5	22%	0.215	32%	0.323	C	S	.	.	S	Bend	trans	-68.8	163.7	-178.5	70	0	0	0	0	112.4	A91 S94 E99 F100 K101	A91-T97 HydrophobicContact CB-CG2 4.3Å; A91-T97 WeakPolarHBondContact O-CB 3.41Å; A91-T97 WeakPolarHBondContact O-CG2 3.1Å; A91-T97 PolarHBondContact O-OG1 2.71Å; S94-T97 PolarHBondContact O-N 2.73Å; S94-T97 PolarHBondContact O-OG1 3.03Å; T97-E99 WeakPolarHBondContact CB-OE2 3.48Å; T97-F100 WeakPolarHBondContact OG1-CB 2.97Å; T97-F100 PolarHBondContact OG1-N 3.43Å; T97-F100 VanDerWaalsContact OG1-N 3.11Å; T97-K101 WeakPolarHBondContact O-CD 3.21Å; T97-K101 WeakPolarHBondContact O-CG 3.24Å; T97-K101 PolarHBondContact O-N 3.02Å
98	R	91.4	Very high	88.9	Confident	211 Å²	211	61 Å²	61	80%	0.796	31%	0.307	S	S	*	.	H	α-helix	trans	-78.3	-35.1	179.1	-65.8	179.1	178.1	178	-0	110.6	K101 A102	R98-K101 PolarHBondContact O-N 2.84Å; R98-A102 WeakPolarHBondContact O-CB 2.99Å; R98-A102 PolarHBondContact O-N 2.7Å
99	E	91.7	Very high	89.2	Confident	91 Å²	91	63.7 Å²	63.7	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-50	179.5	-61.1	65.8	-145.8	0	0	109.5	A91 Y92 T97 K101 A102 L103	A91-E99 HydrophobicContact CB-CB 3.77Å; A91-E99 HydrophobicContact CB-CG 3.9Å; Y92-E99 HydrophobicContact CD1-CB 4.16Å; Y92-E99 HydrophobicContact CE1-CB 3.9Å; T97-E99 WeakPolarHBondContact CB-OE2 3.48Å; E99-K101 PolarHBondContact O-N 3.06Å; E99-A102 PolarHBondContact O-N 2.75Å; E99-L103 PolarHBondContact O-N 3.1Å; E99-L103 VanDerWaalsContact O-N 3.12Å
100	F	92.6	Very high	89.4	Confident	12 Å²	12	61.2 Å²	61.2	5%	0.053	31%	0.306	C	S	.	.	H	α-helix	trans	-55.2	-51.5	172.3	-179	-80.1	0	0	0	111.7	Y92 S94 T97 A102 L103 A104 V130 F133	Y92-F100 WeakPolarHBondContact O-CD2 3.15Å; S94-F100 WeakPolarHBondContact O-CB 3.08Å; T97-F100 WeakPolarHBondContact OG1-CB 2.97Å; T97-F100 PolarHBondContact OG1-N 3.43Å; T97-F100 VanDerWaalsContact OG1-N 3.11Å; F100-A102 PolarHBondContact O-N 3.03Å; F100-L103 PolarHBondContact O-N 3.07Å; F100-A104 HydrophobicContact CD1-CB 4.27Å; F100-A104 HydrophobicContact CE1-CB 4.11Å; F100-A104 WeakPolarHBondContact O-CB 3.07Å; F100-A104 PolarHBondContact O-N 3.39Å; F100-V130 HydrophobicContact CZ-CG1 4.32Å; F100-F133 HydrophobicContact CD1-CE2 4.46Å; F100-F133 AromaticContact CD2-CD2 3.47Å; F100-F133 HydrophobicContact CD2-CD2 3.47Å; F100-F133 VanDerWaalsContact CD2-CD2 3.47Å; F100-F133 AromaticContact CD2-CE2 3.68Å; F100-F133 HydrophobicContact CD2-CE2 3.68Å; F100-F133 HydrophobicContact CE1-CE2 4.47Å; F100-F133 AromaticContact CE2-CD2 3.45Å; F100-F133 HydrophobicContact CE2-CD2 3.45Å; F100-F133 VanDerWaalsContact CE2-CD2 3.45Å; F100-F133 AromaticContact CE2-CE2 3.7Å; F100-F133 HydrophobicContact CE2-CE2 3.7Å; F100-F133 HydrophobicContact CG-CD2 4.28Å; F100-F133 HydrophobicContact CG-CE2 4.07Å; F100-F133 HydrophobicContact CZ-CD2 4.25Å; F100-F133 HydrophobicContact CZ-CE2 4.1Å
101	K	92.6	Very high	89.7	Confident	99 Å²	99	55.6 Å²	55.6	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-42.4	-175.6	-72.2	166.8	-177.9	153.7	0	111.6	S95 D96 T97 R98 E99 A104 E105	S95-K101 VanDerWaalsContact O-CE 3.23Å; S95-K101 WeakPolarHBondContact O-CE 3.33Å; D96-K101 PolarHBondContact O-NZ 3.08Å; T97-K101 WeakPolarHBondContact O-CD 3.21Å; T97-K101 WeakPolarHBondContact O-CG 3.24Å; T97-K101 PolarHBondContact O-N 3.02Å; R98-K101 PolarHBondContact O-N 2.84Å; E99-K101 PolarHBondContact O-N 3.06Å; K101-A104 PolarHBondContact O-N 3.06Å; K101-E105 WeakPolarHBondContact O-CG 3.27Å; K101-E105 PolarHBondContact O-N 3.34Å
102	A	91.5	Very high	89.9	Confident	49 Å²	49	60.4 Å²	60.4	41%	0.405	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-37.9	178.2	0	0	0	0	0	113.3	R98 E99 F100 Q106	R98-A102 WeakPolarHBondContact O-CB 2.99Å; R98-A102 PolarHBondContact O-N 2.7Å; E99-A102 PolarHBondContact O-N 2.75Å; F100-A102 PolarHBondContact O-N 3.03Å; A102-Q106 WeakPolarHBondContact O-CG 3.37Å; A102-Q106 PolarHBondContact O-NE2 3.04Å; A102-Q106 VanDerWaalsContact O-NE2 3.1Å
103	L	91	Very high	90	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-74.5	-40.3	174.3	-175.6	59.9	0	0	0	111.4	Q86 Y92 E99 F100 E105 Q106 V107 F133 V137 L180	Q86-L103 HydrophobicContact CG-CD1 4.26Å; Y92-L103 HydrophobicContact CD1-CD2 4.42Å; Y92-L103 HydrophobicContact CD2-CD2 4.23Å; Y92-L103 HydrophobicContact CE1-CB 4.21Å; Y92-L103 HydrophobicContact CE1-CD2 4.03Å; Y92-L103 HydrophobicContact CE2-CD2 3.85Å; E99-L103 PolarHBondContact O-N 3.1Å; E99-L103 VanDerWaalsContact O-N 3.12Å; F100-L103 PolarHBondContact O-N 3.07Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.41Å; L103-Q106 WeakPolarHBondContact O-CB 3.49Å; L103-Q106 PolarHBondContact O-N 2.95Å; L103-Q106 VanDerWaalsContact O-N 3.13Å; L103-V107 WeakPolarHBondContact O-CG2 3.38Å; L103-V107 PolarHBondContact O-N 3.1Å; L103-F133 HydrophobicContact CB-CE1 4.49Å; L103-F133 HydrophobicContact CB-CE2 4.3Å; L103-F133 HydrophobicContact CB-CZ 3.87Å; L103-F133 HydrophobicContact CD2-CD1 3.92Å; L103-F133 HydrophobicContact CD2-CE1 3.5Å; L103-F133 HydrophobicContact CD2-CE2 4.23Å; L103-F133 HydrophobicContact CD2-CG 4.44Å; L103-F133 HydrophobicContact CD2-CZ 3.69Å; L103-F133 HydrophobicContact CG-CE1 3.68Å; L103-F133 HydrophobicContact CG-CE2 4.33Å; L103-F133 HydrophobicContact CG-CZ 3.55Å; L103-V137 HydrophobicContact CD2-CG1 3.93Å; L103-L180 HydrophobicContact CD1-CD2 4.2Å
104	A	92.5	Very high	90.1	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-42	177.2	0	0	0	0	0	112.4	F100 K101 Q106 V107 Q108 V130 F133	F100-A104 HydrophobicContact CD1-CB 4.27Å; F100-A104 HydrophobicContact CE1-CB 4.11Å; F100-A104 WeakPolarHBondContact O-CB 3.07Å; F100-A104 PolarHBondContact O-N 3.39Å; K101-A104 PolarHBondContact O-N 3.06Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; A104-Q106 PolarHBondContact O-N 3.27Å; A104-V107 PolarHBondContact O-N 2.83Å; A104-Q108 VanDerWaalsContact O-CG 3.23Å; A104-Q108 WeakPolarHBondContact O-CG 3.33Å; A104-Q108 PolarHBondContact O-N 2.97Å; A104-V130 HydrophobicContact CB-CB 3.83Å; A104-V130 HydrophobicContact CB-CG1 4.31Å; A104-V130 HydrophobicContact CB-CG2 4.1Å; A104-F133 HydrophobicContact CB-CE2 4.38Å; A104-F133 HydrophobicContact CB-CZ 4.31Å
105	E	92.8	Very high	90.3	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.542	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-38.2	174.7	-77	178.9	-167.6	0	0	112.8	K101 L103 Q109	K101-E105 WeakPolarHBondContact O-CG 3.27Å; K101-E105 PolarHBondContact O-N 3.34Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.41Å; E105-Q109 WeakPolarHBondContact O-CG 3.21Å; E105-Q109 PolarHBondContact O-N 3.46Å; E105-Q109 VanDerWaalsContact O-N 3.16Å
106	Q	91.4	Very high	90.5	Very high	58 Å²	58	57.8 Å²	57.8	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-67.8	-43.6	176.2	-66.8	171.7	58.8	0	0	111.5	A102 L103 A104 Q108 Q109 E110 L180	A102-Q106 WeakPolarHBondContact O-CG 3.37Å; A102-Q106 PolarHBondContact O-NE2 3.04Å; A102-Q106 VanDerWaalsContact O-NE2 3.1Å; L103-Q106 WeakPolarHBondContact O-CB 3.49Å; L103-Q106 PolarHBondContact O-N 2.95Å; L103-Q106 VanDerWaalsContact O-N 3.13Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; A104-Q106 PolarHBondContact O-N 3.27Å; Q106-Q108 PolarHBondContact O-N 2.97Å; Q106-Q109 PolarHBondContact O-N 3.44Å; Q106-E110 PolarHBondContact O-N 3Å; Q106-L180 HydrophobicContact CB-CD1 3.79Å; Q106-L180 HydrophobicContact CB-CG 4.26Å
107	V	91.1	Very high	90.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-41.2	176.2	173.4	0	0	0	0	111.4	M81 I83 L103 A104 Q109 E110 L111 V130 F133 A139 L180	M81-V107 HydrophobicContact SD-CG1 4.23Å; I83-V107 HydrophobicContact CD1-CG2 3.6Å; L103-V107 WeakPolarHBondContact O-CG2 3.38Å; L103-V107 PolarHBondContact O-N 3.1Å; A104-V107 PolarHBondContact O-N 2.83Å; V107-Q109 VanDerWaalsContact C-N 3.32Å; V107-Q109 PolarHBondContact O-N 2.89Å; V107-E110 PolarHBondContact O-N 3.38Å; V107-L111 HydrophobicContact CG1-CD1 3.91Å; V107-L111 HydrophobicContact CG1-CG 4.31Å; V107-L111 WeakPolarHBondContact O-CB 3.01Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 2.92Å; V107-V130 HydrophobicContact CB-CG2 3.95Å; V107-V130 HydrophobicContact CG1-CG2 3.74Å; V107-F133 HydrophobicContact CG2-CE1 4.22Å; V107-A139 HydrophobicContact CG1-CB 4Å; V107-A139 HydrophobicContact CG2-CB 4.09Å; V107-L180 HydrophobicContact CG2-CD1 3.78Å
108	Q	92.9	Very high	90.1	Very high	68 Å²	68	56.3 Å²	56.3	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-36.9	175.8	-71.2	169.8	30.1	0	0	112.8	A104 Q106 K112 S128 V130	A104-Q108 VanDerWaalsContact O-CG 3.23Å; A104-Q108 WeakPolarHBondContact O-CG 3.33Å; A104-Q108 PolarHBondContact O-N 2.97Å; Q106-Q108 PolarHBondContact O-N 2.97Å; Q108-K112 WeakPolarHBondContact O-CB 3.24Å; Q108-K112 PolarHBondContact O-N 2.76Å; Q108-S128 WeakPolarHBondContact CG-O 3.36Å; Q108-V130 HydrophobicContact CG-CG2 4.19Å
109	Q	90.4	Very high	89.9	Confident	97 Å²	97	51.3 Å²	51.3	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-67.3	-38.4	174.4	-71.5	175.4	44.1	0	0	111.9	E105 Q106 V107 T113	E105-Q109 WeakPolarHBondContact O-CG 3.21Å; E105-Q109 PolarHBondContact O-N 3.46Å; E105-Q109 VanDerWaalsContact O-N 3.16Å; Q106-Q109 PolarHBondContact O-N 3.44Å; V107-Q109 VanDerWaalsContact C-N 3.32Å; V107-Q109 PolarHBondContact O-N 2.89Å; Q109-T113 PolarHBondContact O-N 3.1Å; Q109-T113 VanDerWaalsContact O-N 3.1Å; Q109-T113 PolarHBondContact O-OG1 2.95Å
110	E	88.8	Confident	89.6	Confident	28 Å²	28	52.9 Å²	52.9	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-72.3	-44.7	178	-160.4	54.9	-136.4	0	0	111.6	Q106 V107 K112 T113 I114 S176 S178 V182	Q106-E110 PolarHBondContact O-N 3Å; V107-E110 PolarHBondContact O-N 3.38Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.92Å; E110-T113 CarbonylContact O-C 3.56Å; E110-T113 WeakPolarHBondContact O-CA 3.17Å; E110-T113 VanDerWaalsContact O-CB 3.27Å; E110-T113 WeakPolarHBondContact O-CB 3.25Å; E110-T113 PolarHBondContact O-N 3.3Å; E110-I114 HydrophobicContact CG-CD1 4.27Å; E110-I114 WeakPolarHBondContact O-CG1 3.36Å; E110-I114 PolarHBondContact O-N 3.11Å; E110-S176 PolarHBondContact OE2-OG 2.9Å; E110-S178 WeakPolarHBondContact OE2-CB 3.49Å; E110-S178 PolarHBondContact OE2-OG 3.46Å; E110-V182 HydrophobicContact CG-CG2 4.09Å
111	L	89.6	Confident	89.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-54	-46	171.4	-74.9	167.8	0	0	0	112.1	M81 V107 T113 I114 Y115 Y141 M185	M81-L111 HydrophobicContact CE-CD2 3.51Å; M81-L111 HydrophobicContact CE-CG 3.96Å; V107-L111 HydrophobicContact CG1-CD1 3.91Å; V107-L111 HydrophobicContact CG1-CG 4.31Å; V107-L111 WeakPolarHBondContact O-CB 3.01Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 2.92Å; L111-T113 PolarHBondContact O-N 2.96Å; L111-I114 PolarHBondContact O-N 2.79Å; L111-Y115 HydrophobicContact CB-CD2 4.45Å; L111-Y115 HydrophobicContact CB-CE2 4.15Å; L111-Y115 HydrophobicContact CD2-CE2 4.17Å; L111-Y115 WeakPolarHBondContact O-CD2 3.04Å; L111-Y115 PolarHBondContact O-N 3.4Å; L111-Y141 HydrophobicContact CD1-CD1 4.05Å; L111-Y141 HydrophobicContact CD1-CD2 3.65Å; L111-Y141 HydrophobicContact CD1-CE2 4.32Å; L111-Y141 HydrophobicContact CD1-CG 3.54Å; L111-Y141 HydrophobicContact CD2-CD1 4.26Å; L111-Y141 HydrophobicContact CD2-CD2 3.89Å; L111-Y141 HydrophobicContact CD2-CE1 4.06Å; L111-Y141 HydrophobicContact CD2-CE2 3.67Å; L111-Y141 HydrophobicContact CD2-CG 4.21Å; L111-Y141 HydrophobicContact CG-CD2 4.46Å; L111-M185 HydrophobicContact CD2-CE 3.54Å; L111-M185 HydrophobicContact CD2-SD 4.13Å
112	K	90.4	Very high	89.3	Confident	125 Å²	125	53.9 Å²	53.9	54%	0.543	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-35.2	174.5	-179.1	170.7	-176.8	172.8	0	112.3	Q108 E110 S116 Y125	Q108-K112 WeakPolarHBondContact O-CB 3.24Å; Q108-K112 PolarHBondContact O-N 2.76Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.92Å; K112-S116 WeakPolarHBondContact O-CB 3.22Å; K112-S116 PolarHBondContact O-N 2.99Å; K112-S116 PolarHBondContact O-OG 2.81Å; K112-Y125 HydrophobicContact CB-CE1 4.04Å; K112-Y125 HydrophobicContact CD-CE1 4.49Å; K112-Y125 HydrophobicContact CG-CE1 3.94Å
113	T	87.4	Confident	89.1	Confident	59 Å²	59	58.3 Å²	58.3	36%	0.362	29%	0.289	S	S	.	.	H	α-helix	trans	-70.5	-46.6	177	-59.3	0	0	0	0	111.1	Q109 E110 L111 S116 S117	Q109-T113 PolarHBondContact O-N 3.1Å; Q109-T113 VanDerWaalsContact O-N 3.1Å; Q109-T113 PolarHBondContact O-OG1 2.95Å; E110-T113 CarbonylContact O-C 3.56Å; E110-T113 WeakPolarHBondContact O-CA 3.17Å; E110-T113 VanDerWaalsContact O-CB 3.27Å; E110-T113 WeakPolarHBondContact O-CB 3.25Å; E110-T113 PolarHBondContact O-N 3.3Å; L111-T113 PolarHBondContact O-N 2.96Å; T113-S116 WeakPolarHBondContact O-CB 3.23Å; T113-S116 PolarHBondContact O-N 2.62Å; T113-S117 PolarHBondContact O-N 3Å
114	I	86.7	Confident	89.1	Confident	9 Å²	9	59 Å²	59	5%	0.046	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-53	177.4	-66.7	168.4	0	0	0	110.7	M81 E110 L111 S116 S117 L162 F170 M185	M81-I114 HydrophobicContact CE-CD1 3.61Å; E110-I114 HydrophobicContact CG-CD1 4.27Å; E110-I114 WeakPolarHBondContact O-CG1 3.36Å; E110-I114 PolarHBondContact O-N 3.11Å; L111-I114 PolarHBondContact O-N 2.79Å; I114-S116 VanDerWaalsContact C-N 3.25Å; I114-S116 PolarHBondContact O-N 3.05Å; I114-S117 VanDerWaalsContact O-CB 3.3Å; I114-S117 WeakPolarHBondContact O-CB 3.39Å; I114-S117 PolarHBondContact O-N 2.61Å; I114-S117 PolarHBondContact O-OG 3.26Å; I114-L162 HydrophobicContact CG2-CD1 3.76Å; I114-L162 HydrophobicContact CG2-CD2 3.94Å; I114-L162 HydrophobicContact CG2-CG 4.47Å; I114-F170 HydrophobicContact CD1-CD1 4.45Å; I114-M185 HydrophobicContact CD1-SD 3.74Å; I114-M185 HydrophobicContact CG2-CE 4.29Å; I114-M185 HydrophobicContact CG2-SD 4Å
115	Y	88.9	Confident	89.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-28.5	177.2	-60.8	-44.1	0	0	0	113	L111 S117 N118 L121 K122 Y125 Y141 S143 F145 I159 L162 M185	L111-Y115 HydrophobicContact CB-CD2 4.45Å; L111-Y115 HydrophobicContact CB-CE2 4.15Å; L111-Y115 HydrophobicContact CD2-CE2 4.17Å; L111-Y115 WeakPolarHBondContact O-CD2 3.04Å; L111-Y115 PolarHBondContact O-N 3.4Å; Y115-S117 PolarHBondContact O-N 3.41Å; Y115-N118 PolarHBondContact O-N 3.39Å; Y115-L121 HydrophobicContact CD1-CD1 3.85Å; Y115-K122 PolarHBondContact O-N 2.98Å; Y115-Y125 AromaticContact CD2-CD2 3.61Å; Y115-Y125 HydrophobicContact CD2-CD2 3.61Å; Y115-Y125 AromaticContact CD2-CE2 3.4Å; Y115-Y125 HydrophobicContact CD2-CE2 3.4Å; Y115-Y125 VanDerWaalsContact CD2-CE2 3.4Å; Y115-Y125 HydrophobicContact CD2-CG 4.36Å; Y115-Y125 HydrophobicContact CE2-CD2 4.24Å; Y115-Y125 AromaticContact CE2-CE2 3.82Å; Y115-Y125 HydrophobicContact CE2-CE2 3.82Å; Y115-Y125 HydrophobicContact CG-CD2 4.26Å; Y115-Y125 HydrophobicContact CG-CE2 4.44Å; Y115-Y141 WeakPolarHBondContact OH-CE2 2.99Å; Y115-S143 WeakPolarHBondContact CE2-OG 3.19Å; Y115-S143 PolarHBondContact OH-OG 3.03Å; Y115-F145 HydrophobicContact CD1-CZ 4.07Å; Y115-F145 HydrophobicContact CD2-CZ 4.17Å; Y115-F145 HydrophobicContact CE1-CZ 4.19Å; Y115-F145 HydrophobicContact CE2-CZ 4.3Å; Y115-F145 HydrophobicContact CG-CZ 4.04Å; Y115-I159 HydrophobicContact CD1-CD1 4.46Å; Y115-I159 HydrophobicContact CE1-CD1 3.89Å; Y115-L162 HydrophobicContact CD1-CD2 4.2Å; Y115-L162 HydrophobicContact CE1-CD2 3.91Å; Y115-M185 HydrophobicContact CE1-CE 3.81Å
116	S	88.3	Confident	89.1	Confident	46 Å²	46	58.6 Å²	58.6	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-70.9	-16.6	173.6	-66.5	0	0	0	0	114.1	K112 T113 I114	K112-S116 WeakPolarHBondContact O-CB 3.22Å; K112-S116 PolarHBondContact O-N 2.99Å; K112-S116 PolarHBondContact O-OG 2.81Å; T113-S116 WeakPolarHBondContact O-CB 3.23Å; T113-S116 PolarHBondContact O-N 2.62Å; I114-S116 VanDerWaalsContact C-N 3.25Å; I114-S116 PolarHBondContact O-N 3.05Å
117	S	84.9	Confident	89.2	Confident	68 Å²	68	59.2 Å²	59.2	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-72.9	-30.1	177	76.3	0	0	0	0	112.6	T113 I114 Y115	T113-S117 PolarHBondContact O-N 3Å; I114-S117 VanDerWaalsContact O-CB 3.3Å; I114-S117 WeakPolarHBondContact O-CB 3.39Å; I114-S117 PolarHBondContact O-N 2.61Å; I114-S117 PolarHBondContact O-OG 3.26Å; Y115-S117 PolarHBondContact O-N 3.41Å
118	N	85.7	Confident	89.3	Confident	39 Å²	39	59.4 Å²	59.4	21%	0.209	30%	0.3	C	S	.	.	S	Bend	trans	-96.5	118.1	177.4	-174.2	-35.3	0	0	0	110.2	Y115 R120 L121 K122	Y115-N118 PolarHBondContact O-N 3.39Å; N118-R120 PolarHBondContact O-N 3.27Å; N118-R120 VanDerWaalsContact O-N 3.14Å; N118-R120 WeakPolarHBondContact OD1-CB 3.46Å; N118-R120 PolarHBondContact OD1-N 2.75Å; N118-L121 HydrophobicContact CB-CB 4.14Å; N118-L121 HydrophobicContact CB-CD1 3.94Å; N118-L121 HydrophobicContact CB-CG 3.93Å; N118-L121 PolarHBondContact O-N 3.37Å; N118-K122 WeakPolarHBondContact O-CB 3.49Å; N118-K122 PolarHBondContact O-N 2.82Å
119	P	86.1	Confident	89.3	Confident	106 Å²	106	58.6 Å²	58.6	69%	0.688	30%	0.299	S	S	*	.	H	α-helix	trans	-57.2	-29.8	-178.7	-27	35.4	0	0	0	115	K123	P119-K123 PolarHBondContact O-N 3.39Å
120	R	85.4	Confident	89.4	Confident	123 Å²	123	54.8 Å²	54.8	46%	0.464	28%	0.282	S	S	.	.	H	α-helix	trans	-72.3	-48.1	178.3	-62.6	-175.6	-178.8	-176.6	3.2	111.3	N118 K123 S154 A158	N118-R120 PolarHBondContact O-N 3.27Å; N118-R120 VanDerWaalsContact O-N 3.14Å; N118-R120 WeakPolarHBondContact OD1-CB 3.46Å; N118-R120 PolarHBondContact OD1-N 2.75Å; R120-K123 PolarHBondContact O-N 3.15Å; R120-S154 PolarHBondContact NH1-OG 3.25Å; R120-A158 HydrophobicContact CB-CB 4.18Å
121	L	88.4	Confident	89.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-46.8	179.5	-58.2	-176.8	0	0	0	110.7	Y115 N118 K123 Y124 Y125 F145 V155 A158 I159 L162	Y115-L121 HydrophobicContact CD1-CD1 3.85Å; N118-L121 HydrophobicContact CB-CB 4.14Å; N118-L121 HydrophobicContact CB-CD1 3.94Å; N118-L121 HydrophobicContact CB-CG 3.93Å; N118-L121 PolarHBondContact O-N 3.37Å; L121-K123 PolarHBondContact O-N 3.06Å; L121-K123 VanDerWaalsContact O-N 3.11Å; L121-Y124 PolarHBondContact O-N 2.59Å; L121-Y124 VanDerWaalsContact O-N 3.12Å; L121-Y125 WeakPolarHBondContact O-CB 3.4Å; L121-Y125 PolarHBondContact O-N 3.29Å; L121-F145 HydrophobicContact CB-CE1 4.01Å; L121-F145 HydrophobicContact CD2-CE1 4.14Å; L121-V155 HydrophobicContact CD2-CG1 3.71Å; L121-A158 HydrophobicContact CD2-CB 3.61Å; L121-A158 HydrophobicContact CG-CB 3.94Å; L121-I159 HydrophobicContact CD1-CD1 3.83Å; L121-I159 HydrophobicContact CD2-CD1 3.89Å; L121-I159 HydrophobicContact CD2-CG1 3.95Å; L121-L162 HydrophobicContact CD1-CD2 4.44Å
122	K	89.9	Confident	89.3	Confident	132 Å²	132	56.2 Å²	56.2	57%	0.574	29%	0.291	S	S	*	.	H	α-helix	trans	-52.7	-34.3	176.8	-171.3	-179.7	179.8	178.2	0	113.9	Y115 N118	Y115-K122 PolarHBondContact O-N 2.98Å; N118-K122 WeakPolarHBondContact O-CB 3.49Å; N118-K122 PolarHBondContact O-N 2.82Å
123	K	88.9	Confident	89.3	Confident	142 Å²	142	50.2 Å²	50.2	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-69.1	-32.8	-177.3	-172.3	-176	173	-161.6	0	112.8	P119 R120 L121	P119-K123 PolarHBondContact O-N 3.39Å; R120-K123 PolarHBondContact O-N 3.15Å; L121-K123 PolarHBondContact O-N 3.06Å; L121-K123 VanDerWaalsContact O-N 3.11Å
124	Y	90.9	Very high	89.2	Confident	17 Å²	17	47.6 Å²	47.6	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-114.7	-12.2	-171.1	-58	-48.5	0	0	0	114.2	L121 V126 F145 K146 V147 P148 Q151 V155	L121-Y124 PolarHBondContact O-N 2.59Å; L121-Y124 VanDerWaalsContact O-N 3.12Å; Y124-V126 PolarHBondContact O-N 3.44Å; Y124-F145 CarbonylContact O-C 3.57Å; Y124-F145 VanDerWaalsContact O-CA 3.25Å; Y124-F145 WeakPolarHBondContact O-CA 3.49Å; Y124-K146 WeakPolarHBondContact CD1-O 3.44Å; Y124-K146 PolarHBondContact O-N 3.32Å; Y124-V147 HydrophobicContact CD2-CG1 4.24Å; Y124-V147 HydrophobicContact CE2-CG1 4.35Å; Y124-V147 HydrophobicContact CG-CG2 4.43Å; Y124-P148 HydrophobicContact CE1-CG 3.8Å; Y124-Q151 PolarHBondContact OH-OE1 3.1Å; Y124-V155 HydrophobicContact CD2-CG2 3.71Å; Y124-V155 HydrophobicContact CE2-CG2 4.27Å
125	Y	92.7	Very high	89	Confident	36 Å²	36	48.3 Å²	48.3	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.1	177.6	178.6	-109.3	0	0	0	112.9	K112 Y115 L121 N127 S128 F145	K112-Y125 HydrophobicContact CB-CE1 4.04Å; K112-Y125 HydrophobicContact CD-CE1 4.49Å; K112-Y125 HydrophobicContact CG-CE1 3.94Å; Y115-Y125 AromaticContact CD2-CD2 3.61Å; Y115-Y125 HydrophobicContact CD2-CD2 3.61Å; Y115-Y125 AromaticContact CD2-CE2 3.4Å; Y115-Y125 HydrophobicContact CD2-CE2 3.4Å; Y115-Y125 VanDerWaalsContact CD2-CE2 3.4Å; Y115-Y125 HydrophobicContact CD2-CG 4.36Å; Y115-Y125 HydrophobicContact CE2-CD2 4.24Å; Y115-Y125 AromaticContact CE2-CE2 3.82Å; Y115-Y125 HydrophobicContact CE2-CE2 3.82Å; Y115-Y125 HydrophobicContact CG-CD2 4.26Å; Y115-Y125 HydrophobicContact CG-CE2 4.44Å; L121-Y125 WeakPolarHBondContact O-CB 3.4Å; L121-Y125 PolarHBondContact O-N 3.29Å; Y125-N127 VanDerWaalsContact CE2-C 3.5Å; Y125-N127 VanDerWaalsContact CE2-O 3.29Å; Y125-N127 WeakPolarHBondContact CE2-O 3.44Å; Y125-N127 VanDerWaalsContact CZ-C 3.48Å; Y125-N127 VanDerWaalsContact OH-C 3.26Å; Y125-S128 VanDerWaalsContact CE2-OG 3.31Å; Y125-S128 WeakPolarHBondContact CE2-OG 3.47Å; Y125-S128 WeakPolarHBondContact OH-CB 3.44Å; Y125-S128 PolarHBondContact OH-N 3Å; Y125-S128 VanDerWaalsContact OH-N 3.09Å; Y125-S128 PolarHBondContact OH-OG 2.86Å; Y125-F145 HydrophobicContact CD2-CE1 4.05Å; Y125-F145 HydrophobicContact CD2-CE2 4.03Å; Y125-F145 AromaticContact CD2-CZ 3.74Å; Y125-F145 HydrophobicContact CD2-CZ 3.74Å; Y125-F145 HydrophobicContact CG-CE1 4.4Å; Y125-F145 HydrophobicContact CG-CZ 4.5Å
126	V	92.4	Very high	88.4	Confident	76 Å²	76	50.4 Å²	50.4	46%	0.461	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-65.5	177.6	-177.3	0	0	0	0	110.1	Y124 E144 K146	Y124-V126 PolarHBondContact O-N 3.44Å; V126-E144 HydrophobicContact CB-CB 4.29Å; V126-E144 HydrophobicContact CB-CG 4.23Å; V126-E144 WeakPolarHBondContact CB-O 3.35Å; V126-E144 HydrophobicContact CG2-CG 4.29Å; V126-E144 PolarHBondContact N-O 3.32Å; V126-K146 HydrophobicContact CG2-CB 3.81Å
127	N	93	Very high	88.2	Confident	71 Å²	71	48.3 Å²	48.3	38%	0.38	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	173.9	-178.8	63.7	-19.1	0	0	0	111.2	Y125 S143 E144	Y125-N127 VanDerWaalsContact CE2-C 3.5Å; Y125-N127 VanDerWaalsContact CE2-O 3.29Å; Y125-N127 WeakPolarHBondContact CE2-O 3.44Å; Y125-N127 VanDerWaalsContact CZ-C 3.48Å; Y125-N127 VanDerWaalsContact OH-C 3.26Å; N127-S143 WeakPolarHBondContact O-CA 3.36Å; N127-E144 PolarHBondContact O-N 3.15Å; N127-E144 WeakPolarHBondContact OD1-CB 3.37Å
128	S	93.3	Very high	88.4	Confident	5 Å²	5	46.5 Å²	46.5	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.4	169.1	-57.8	0	0	0	0	109.8	Q108 Y125 M142 S143	Q108-S128 WeakPolarHBondContact CG-O 3.36Å; Y125-S128 VanDerWaalsContact CE2-OG 3.31Å; Y125-S128 WeakPolarHBondContact CE2-OG 3.47Å; Y125-S128 WeakPolarHBondContact OH-CB 3.44Å; Y125-S128 PolarHBondContact OH-N 3Å; Y125-S128 VanDerWaalsContact OH-N 3.09Å; Y125-S128 PolarHBondContact OH-OG 2.86Å; S128-M142 CarbonylContact C-O 3.22Å; S128-M142 WeakPolarHBondContact CA-O 3.43Å; S128-S143 PolarHBondContact OG-OG 3.1Å
129	T	92.2	Very high	88.6	Confident	51 Å²	51	44.6 Å²	44.6	31%	0.313	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139	173.7	54.2	0	0	0	0	108.8	N131 Y141 M142	T129-N131 PolarHBondContact O-OD1 2.73Å; T129-Y141 CarbonylContact O-C 3.48Å; T129-Y141 VanDerWaalsContact O-CA 3.25Å; T129-Y141 WeakPolarHBondContact O-CA 3Å; T129-Y141 WeakPolarHBondContact O-CB 3.29Å; T129-M142 PolarHBondContact N-O 3.25Å; T129-M142 PolarHBondContact O-N 2.73Å
130	V	92.4	Very high	88.9	Confident	16 Å²	16	39.6 Å²	39.6	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.5	172.8	179.5	0	0	0	0	108.1	F100 A104 V107 Q108 F133 Y140	F100-V130 HydrophobicContact CZ-CG1 4.32Å; A104-V130 HydrophobicContact CB-CB 3.83Å; A104-V130 HydrophobicContact CB-CG1 4.31Å; A104-V130 HydrophobicContact CB-CG2 4.1Å; V107-V130 HydrophobicContact CB-CG2 3.95Å; V107-V130 HydrophobicContact CG1-CG2 3.74Å; Q108-V130 HydrophobicContact CG-CG2 4.19Å; V130-F133 HydrophobicContact CG1-CE1 4.16Å; V130-F133 HydrophobicContact CG1-CE2 3.94Å; V130-F133 HydrophobicContact CG1-CZ 3.72Å; V130-Y140 WeakPolarHBondContact CG1-O 3.28Å
131	N	88.4	Confident	89.2	Confident	54 Å²	54	33.8 Å²	33.8	29%	0.289	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-38.6	-172.7	-64.8	83.1	0	0	0	111.9	T129 Y140 M142 V270	T129-N131 PolarHBondContact O-OD1 2.73Å; N131-Y140 PolarHBondContact N-O 3.3Å; N131-M142 WeakPolarHBondContact OD1-CB 3.14Å; N131-M142 PolarHBondContact OD1-N 3.3Å; N131-V270 HydrophobicContact CB-CG1 3.7Å
132	A	88.7	Confident	89.3	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.033	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	161.3	-178.6	0	0	0	0	0	111.7	Y140 L269	A132-Y140 HydrophobicContact CB-CD2 4.1Å; A132-Y140 PolarHBondContact N-O 3.47Å; A132-Y140 PolarHBondContact O-N 2.89Å; A132-L269 HydrophobicContact CB-CB 3.97Å; A132-L269 HydrophobicContact CB-CD1 3.81Å
133	F	89.8	Confident	89.4	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.9	160.7	-62.4	-84.2	0	0	0	110.5	F88 Y92 F100 L103 A104 V107 V130 I138 A139 R238	F88-F133 HydrophobicContact CE2-CB 4.28Å; Y92-F133 HydrophobicContact CG-CD2 4.47Å; F100-F133 HydrophobicContact CD1-CE2 4.46Å; F100-F133 AromaticContact CD2-CD2 3.47Å; F100-F133 HydrophobicContact CD2-CD2 3.47Å; F100-F133 VanDerWaalsContact CD2-CD2 3.47Å; F100-F133 AromaticContact CD2-CE2 3.68Å; F100-F133 HydrophobicContact CD2-CE2 3.68Å; F100-F133 HydrophobicContact CE1-CE2 4.47Å; F100-F133 AromaticContact CE2-CD2 3.45Å; F100-F133 HydrophobicContact CE2-CD2 3.45Å; F100-F133 VanDerWaalsContact CE2-CD2 3.45Å; F100-F133 AromaticContact CE2-CE2 3.7Å; F100-F133 HydrophobicContact CE2-CE2 3.7Å; F100-F133 HydrophobicContact CG-CD2 4.28Å; F100-F133 HydrophobicContact CG-CE2 4.07Å; F100-F133 HydrophobicContact CZ-CD2 4.25Å; F100-F133 HydrophobicContact CZ-CE2 4.1Å; L103-F133 HydrophobicContact CB-CE1 4.49Å; L103-F133 HydrophobicContact CB-CE2 4.3Å; L103-F133 HydrophobicContact CB-CZ 3.87Å; L103-F133 HydrophobicContact CD2-CD1 3.92Å; L103-F133 HydrophobicContact CD2-CE1 3.5Å; L103-F133 HydrophobicContact CD2-CE2 4.23Å; L103-F133 HydrophobicContact CD2-CG 4.44Å; L103-F133 HydrophobicContact CD2-CZ 3.69Å; L103-F133 HydrophobicContact CG-CE1 3.68Å; L103-F133 HydrophobicContact CG-CE2 4.33Å; L103-F133 HydrophobicContact CG-CZ 3.55Å; A104-F133 HydrophobicContact CB-CE2 4.38Å; A104-F133 HydrophobicContact CB-CZ 4.31Å; V107-F133 HydrophobicContact CG2-CE1 4.22Å; V130-F133 HydrophobicContact CG1-CE1 4.16Å; V130-F133 HydrophobicContact CG1-CE2 3.94Å; V130-F133 HydrophobicContact CG1-CZ 3.72Å; F133-I138 CarbonylContact C-O 3.59Å; F133-I138 VanDerWaalsContact CA-O 3.26Å; F133-I138 WeakPolarHBondContact CA-O 3.41Å; F133-A139 HydrophobicContact CD1-CB 3.74Å; F133-A139 HydrophobicContact CE1-CB 3.52Å; F133-R238 PolarHBondContact O-NH1 3.03Å; F133-R238 PolarHBondContact O-NH2 2.82Å
134	S	86.1	Confident	89.5	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	174.5	164.4	69.9	0	0	0	0	111.8	F88 V137 I138 Y140	F88-S134 VanDerWaalsContact CD2-O 3.31Å; F88-S134 WeakPolarHBondContact CD2-O 3.26Å; S134-V137 VanDerWaalsContact O-CA 3.27Å; S134-V137 WeakPolarHBondContact O-CA 3.02Å; S134-V137 PolarHBondContact O-N 2.84Å; S134-V137 VanDerWaalsContact O-N 3.12Å; S134-I138 PolarHBondContact N-O 2.91Å; S134-I138 PolarHBondContact O-N 2.92Å; S134-Y140 WeakPolarHBondContact OG-CE2 3.49Å; S134-Y140 PolarHBondContact OG-OH 2.9Å
135	E	82.3	Confident	89.5	Confident	23 Å²	23	24.8 Å²	24.8	11%	0.107	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	148.1	-178.5	-66.2	74.8	-178.7	0	0	111.5	F88 V137 E241 N297	F88-E135 HydrophobicContact CD1-CG 4.02Å; F88-E135 HydrophobicContact CE1-CG 4.05Å; F88-E135 HydrophobicContact CG-CG 4.39Å; F88-E135 HydrophobicContact CZ-CG 4.44Å; E135-V137 PolarHBondContact O-N 3.23Å; E135-E241 HydrophobicContact CG-CB 4.35Å; E135-E241 HydrophobicContact CG-CG 4.2Å; E135-N297 PolarHBondContact OE1-ND2 3.02Å; E135-N297 PolarHBondContact OE2-ND2 2.92Å; E135-N297 PolarHBondContact OE2-OD1 3.47Å
136	G	77.2	Confident	89.4	Confident	45 Å²	45	28.6 Å²	28.6	46%	0.464	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	16.9	-164.3	0	0	0	0	0	114
137	V	84	Confident	89.2	Confident	1 Å²	1	25 Å²	25	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	62.7	-177.9	-161.6	0	0	0	0	112.5	I83 Q86 F88 L103 S134 E135	I83-V137 HydrophobicContact CB-CB 4.29Å; I83-V137 HydrophobicContact CB-CG1 4.05Å; I83-V137 HydrophobicContact CD1-CG1 4.07Å; I83-V137 HydrophobicContact CG1-CG1 4.49Å; I83-V137 PolarHBondContact N-O 2.68Å; Q86-V137 HydrophobicContact CB-CB 4.23Å; Q86-V137 HydrophobicContact CB-CG1 3.98Å; Q86-V137 HydrophobicContact CB-CG2 3.94Å; Q86-V137 VanDerWaalsContact O-CG2 3.27Å; Q86-V137 WeakPolarHBondContact O-CG2 2.96Å; F88-V137 HydrophobicContact CB-CG2 4.14Å; L103-V137 HydrophobicContact CD2-CG1 3.93Å; S134-V137 VanDerWaalsContact O-CA 3.27Å; S134-V137 WeakPolarHBondContact O-CA 3.02Å; S134-V137 PolarHBondContact O-N 2.84Å; S134-V137 VanDerWaalsContact O-N 3.12Å; E135-V137 PolarHBondContact O-N 3.23Å
138	I	87.9	Confident	88.9	Confident	30 Å²	30	23 Å²	23	15%	0.154	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.2	169.1	-58.5	170.2	0	0	0	107.8	M81 K82 F133 S134 Y140	M81-I138 CarbonylContact O-C 3.54Å; M81-I138 WeakPolarHBondContact O-CA 3.4Å; K82-I138 HydrophobicContact CG-CG1 4.31Å; F133-I138 CarbonylContact C-O 3.59Å; F133-I138 VanDerWaalsContact CA-O 3.26Å; F133-I138 WeakPolarHBondContact CA-O 3.41Å; S134-I138 PolarHBondContact N-O 2.91Å; S134-I138 PolarHBondContact O-N 2.92Å; I138-Y140 HydrophobicContact CG2-CE1 4.08Å; I138-Y140 HydrophobicContact CG2-CE2 4.18Å
139	A	90.6	Very high	88.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.4	174.6	0	0	0	0	0	110.2	S80 M81 I83 V107 F133	S80-A139 CarbonylContact C-O 3.56Å; S80-A139 WeakPolarHBondContact CA-O 3.35Å; M81-A139 PolarHBondContact N-O 3.37Å; M81-A139 PolarHBondContact O-N 3.14Å; I83-A139 HydrophobicContact CD1-CB 4.25Å; V107-A139 HydrophobicContact CG1-CB 4Å; V107-A139 HydrophobicContact CG2-CB 4.09Å; F133-A139 HydrophobicContact CD1-CB 3.74Å; F133-A139 HydrophobicContact CE1-CB 3.52Å
140	Y	91.4	Very high	87.6	Confident	1 Å²	1	27.9 Å²	27.9	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125	172.7	-63	-74.8	0	0	0	109.8	G79 V130 N131 A132 S134 I138 S268 L269 V270 I272	G79-Y140 WeakPolarHBondContact O-CA 3.11Å; V130-Y140 WeakPolarHBondContact CG1-O 3.28Å; N131-Y140 PolarHBondContact N-O 3.3Å; A132-Y140 HydrophobicContact CB-CD2 4.1Å; A132-Y140 PolarHBondContact N-O 3.47Å; A132-Y140 PolarHBondContact O-N 2.89Å; S134-Y140 WeakPolarHBondContact OG-CE2 3.49Å; S134-Y140 PolarHBondContact OG-OH 2.9Å; I138-Y140 HydrophobicContact CG2-CE1 4.08Å; I138-Y140 HydrophobicContact CG2-CE2 4.18Å; Y140-S268 VanDerWaalsContact CE1-CB 3.49Å; Y140-L269 HydrophobicContact CD2-CB 4.11Å; Y140-L269 HydrophobicContact CD2-CD1 4.27Å; Y140-L269 HydrophobicContact CE2-CB 4.21Å; Y140-L269 HydrophobicContact CE2-CD1 4.09Å; Y140-L269 HydrophobicContact CE2-CG 4.24Å; Y140-V270 HydrophobicContact CD1-CG2 3.7Å; Y140-V270 HydrophobicContact CG-CG1 4.47Å; Y140-V270 HydrophobicContact CG-CG2 4.08Å; Y140-I272 HydrophobicContact CD1-CD1 4.12Å; Y140-I272 HydrophobicContact CE1-CD1 4.27Å
141	Y	91.6	Very high	87.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.1	-172.2	62.4	-89.6	0	0	0	112.5	I78 G79 M81 L111 Y115 T129 M185 K186 T187	I78-Y141 WeakPolarHBondContact CA-O 3.4Å; I78-Y141 WeakPolarHBondContact CG1-O 3.15Å; G79-Y141 PolarHBondContact N-O 3.48Å; G79-Y141 PolarHBondContact O-N 3.48Å; M81-Y141 HydrophobicContact CB-CD1 4.28Å; M81-Y141 HydrophobicContact CB-CE1 3.77Å; L111-Y141 HydrophobicContact CD1-CD1 4.05Å; L111-Y141 HydrophobicContact CD1-CD2 3.65Å; L111-Y141 HydrophobicContact CD1-CE2 4.32Å; L111-Y141 HydrophobicContact CD1-CG 3.54Å; L111-Y141 HydrophobicContact CD2-CD1 4.26Å; L111-Y141 HydrophobicContact CD2-CD2 3.89Å; L111-Y141 HydrophobicContact CD2-CE1 4.06Å; L111-Y141 HydrophobicContact CD2-CE2 3.67Å; L111-Y141 HydrophobicContact CD2-CG 4.21Å; L111-Y141 HydrophobicContact CG-CD2 4.46Å; Y115-Y141 WeakPolarHBondContact OH-CE2 2.99Å; T129-Y141 CarbonylContact O-C 3.48Å; T129-Y141 VanDerWaalsContact O-CA 3.25Å; T129-Y141 WeakPolarHBondContact O-CA 3Å; T129-Y141 WeakPolarHBondContact O-CB 3.29Å; Y141-M185 HydrophobicContact CE2-CE 4.33Å; Y141-M185 WeakPolarHBondContact OH-CE 3.48Å; Y141-M185 WeakPolarHBondContact OH-CG 3.39Å; Y141-K186 PolarHBondContact OH-O 3.12Å; Y141-T187 PolarHBondContact OH-OG1 2.93Å
142	M	91.2	Very high	86.9	Confident	54 Å²	54	30.7 Å²	30.7	27%	0.266	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.9	173.1	-175.1	-178	72.4	0	0	108.8	I76 Y77 I78 S128 T129 N131	I76-M142 HydrophobicContact CG2-CG 3.37Å; I76-M142 HydrophobicContact CG2-SD 3.61Å; Y77-M142 CarbonylContact O-C 3.45Å; Y77-M142 WeakPolarHBondContact O-CA 3.34Å; I78-M142 HydrophobicContact CG1-CB 4.47Å; S128-M142 CarbonylContact C-O 3.22Å; S128-M142 WeakPolarHBondContact CA-O 3.43Å; T129-M142 PolarHBondContact N-O 3.25Å; T129-M142 PolarHBondContact O-N 2.73Å; N131-M142 WeakPolarHBondContact OD1-CB 3.14Å; N131-M142 PolarHBondContact OD1-N 3.3Å
143	S	92.1	Very high	86.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.6	-175.9	-60.8	0	0	0	0	110.7	Y77 Y115 N127 S128	Y77-S143 PolarHBondContact N-O 3.06Å; Y77-S143 PolarHBondContact O-N 2.91Å; Y115-S143 WeakPolarHBondContact CE2-OG 3.19Å; Y115-S143 PolarHBondContact OH-OG 3.03Å; N127-S143 WeakPolarHBondContact O-CA 3.36Å; S128-S143 PolarHBondContact OG-OG 3.1Å
144	E	91.6	Very high	86.4	Confident	49 Å²	49	38.1 Å²	38.1	23%	0.229	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.5	-176.4	-177.4	168.2	168.4	0	0	111.2	K74 V126 N127	K74-E144 VanDerWaalsContact CE-OE1 3.29Å; K74-E144 WeakPolarHBondContact CE-OE1 3.5Å; K74-E144 WeakPolarHBondContact CE-OE2 3.28Å; K74-E144 HydrophobicContact CG-CG 4.29Å; K74-E144 IonicContact NZ-OE1 2.74Å; K74-E144 PolarHBondContact NZ-OE1 3.43Å; K74-E144 IonicContact NZ-OE2 3.83Å; K74-E144 PolarHBondContact NZ-OE2 2.78Å; V126-E144 HydrophobicContact CB-CB 4.29Å; V126-E144 HydrophobicContact CB-CG 4.23Å; V126-E144 WeakPolarHBondContact CB-O 3.35Å; V126-E144 HydrophobicContact CG2-CG 4.29Å; V126-E144 PolarHBondContact N-O 3.32Å; N127-E144 PolarHBondContact O-N 3.15Å; N127-E144 WeakPolarHBondContact OD1-CB 3.37Å
145	F	90.8	Very high	86.5	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.5	176.3	-68.4	-107.5	0	0	0	110	R75 Y77 Y115 L121 Y124 Y125 V147 V155	R75-F145 HydrophobicContact CB-CB 4.43Å; R75-F145 PolarHBondContact N-O 3.24Å; R75-F145 PolarHBondContact O-N 3.38Å; Y77-F145 AromaticContact CD2-CD2 3.39Å; Y77-F145 HydrophobicContact CD2-CD2 3.39Å; Y77-F145 AromaticContact CD2-CE2 3.69Å; Y77-F145 HydrophobicContact CD2-CE2 3.69Å; Y77-F145 HydrophobicContact CD2-CG 4.17Å; Y77-F145 HydrophobicContact CE2-CB 4.27Å; Y77-F145 AromaticContact CE2-CD2 3.75Å; Y77-F145 HydrophobicContact CE2-CD2 3.75Å; Y77-F145 HydrophobicContact CE2-CE2 4.25Å; Y77-F145 HydrophobicContact CE2-CG 4.06Å; Y77-F145 HydrophobicContact CG-CD2 4.49Å; Y77-F145 HydrophobicContact CG-CE2 4.44Å; Y115-F145 HydrophobicContact CD1-CZ 4.07Å; Y115-F145 HydrophobicContact CD2-CZ 4.17Å; Y115-F145 HydrophobicContact CE1-CZ 4.19Å; Y115-F145 HydrophobicContact CE2-CZ 4.3Å; Y115-F145 HydrophobicContact CG-CZ 4.04Å; L121-F145 HydrophobicContact CB-CE1 4.01Å; L121-F145 HydrophobicContact CD2-CE1 4.14Å; Y124-F145 CarbonylContact O-C 3.57Å; Y124-F145 VanDerWaalsContact O-CA 3.25Å; Y124-F145 WeakPolarHBondContact O-CA 3.49Å; Y125-F145 HydrophobicContact CD2-CE1 4.05Å; Y125-F145 HydrophobicContact CD2-CE2 4.03Å; Y125-F145 AromaticContact CD2-CZ 3.74Å; Y125-F145 HydrophobicContact CD2-CZ 3.74Å; Y125-F145 HydrophobicContact CG-CE1 4.4Å; Y125-F145 HydrophobicContact CG-CZ 4.5Å; F145-V147 HydrophobicContact CB-CG2 3.93Å; F145-V155 HydrophobicContact CD1-CG1 4.14Å; F145-V155 HydrophobicContact CE1-CG1 4.5Å
146	K	90.1	Very high	86.6	Confident	117 Å²	117	38.6 Å²	38.6	51%	0.509	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	94.4	176.6	-174.6	175.6	179.1	178.2	0	109	Y72 Y124 V126	Y72-K146 HydrophobicContact CD1-CD 4.43Å; Y72-K146 HydrophobicContact CD1-CG 3.81Å; Y72-K146 HydrophobicContact CG-CD 4.31Å; Y72-K146 HydrophobicContact CG-CG 3.9Å; Y124-K146 WeakPolarHBondContact CD1-O 3.44Å; Y124-K146 PolarHBondContact O-N 3.32Å; V126-K146 HydrophobicContact CG2-CB 3.81Å
147	V	88.2	Confident	87.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.4	-169	-168	0	0	0	0	110	Y72 A73 R75 Y124 F145 V149 Q151 E152 V155	Y72-V147 CarbonylContact C-O 3.58Å; Y72-V147 VanDerWaalsContact CA-O 3.3Å; Y72-V147 WeakPolarHBondContact CA-O 3.36Å; A73-V147 PolarHBondContact N-O 2.68Å; A73-V147 PolarHBondContact O-N 2.69Å; R75-V147 HydrophobicContact CB-CG2 3.95Å; Y124-V147 HydrophobicContact CD2-CG1 4.24Å; Y124-V147 HydrophobicContact CE2-CG1 4.35Å; Y124-V147 HydrophobicContact CG-CG2 4.43Å; F145-V147 HydrophobicContact CB-CG2 3.93Å; V147-V149 PolarHBondContact O-N 3.3Å; V147-Q151 HydrophobicContact CG1-CB 4.15Å; V147-E152 HydrophobicContact CB-CG 4.46Å; V147-E152 HydrophobicContact CG1-CG 4.29Å; V147-V155 HydrophobicContact CG1-CG2 3.81Å; V147-V155 HydrophobicContact CG2-CG2 3.86Å
148	P	86.6	Confident	87.2	Confident	28 Å²	28	41 Å²	41	18%	0.182	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	135.3	171	-22.9	32.5	0	0	0	111.1	Y72 Y124 G150 Q151	Y72-P148 HydrophobicContact CD1-CG 4.09Å; Y72-P148 HydrophobicContact CE1-CG 3.8Å; Y124-P148 HydrophobicContact CE1-CG 3.8Å; P148-G150 PolarHBondContact O-N 3.14Å; P148-Q151 HydrophobicContact CB-CG 4.42Å; P148-Q151 PolarHBondContact O-N 2.86Å
149	V	79.8	Confident	87.1	Confident	88 Å²	88	39.8 Å²	39.8	53%	0.533	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	128.5	178.4	170.9	0	0	0	0	110.1	E71 A73 V147	E71-V149 HydrophobicContact CB-CG2 4.03Å; E71-V149 WeakPolarHBondContact O-CG2 3.34Å; E71-V149 PolarHBondContact O-N 2.97Å; A73-V149 HydrophobicContact CB-CG2 4.25Å; V147-V149 PolarHBondContact O-N 3.3Å
150	G	78.9	Confident	86.7	Confident	72 Å²	72	41.9 Å²	41.9	74%	0.742	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	1.7	-176	0	0	0	0	0	115.9	P148	P148-G150 PolarHBondContact O-N 3.14Å
151	Q	83.4	Confident	86.3	Confident	89 Å²	89	45.5 Å²	45.5	42%	0.416	27%	0.265	S	S	.	.			trans	-107.7	8.2	169.2	-63.4	-165.2	8.8	0	0	114	Y124 V147 P148 N153 S154	Y124-Q151 PolarHBondContact OH-OE1 3.1Å; V147-Q151 HydrophobicContact CG1-CB 4.15Å; P148-Q151 HydrophobicContact CB-CG 4.42Å; P148-Q151 PolarHBondContact O-N 2.86Å; Q151-N153 PolarHBondContact O-N 2.86Å; Q151-S154 WeakPolarHBondContact O-CB 3.38Å; Q151-S154 PolarHBondContact O-N 2.94Å; Q151-S154 VanDerWaalsContact O-N 3.1Å
152	E	83.1	Confident	85.9	Confident	40 Å²	40	45.9 Å²	45.9	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-57.1	-47.3	-175.7	-70.2	161.7	-115.4	0	0	112.6	R75 V147 S154 V155 D156	R75-E152 IonicContact CZ-OE2 3.98Å; R75-E152 IonicContact NE-OE2 2.72Å; R75-E152 IonicContact NH1-OE2 3.09Å; R75-E152 PolarHBondContact NH1-OE2 3.11Å; V147-E152 HydrophobicContact CB-CG 4.46Å; V147-E152 HydrophobicContact CG1-CG 4.29Å; E152-S154 PolarHBondContact O-N 3.38Å; E152-S154 VanDerWaalsContact O-N 3.09Å; E152-V155 WeakPolarHBondContact O-CB 3.47Å; E152-V155 PolarHBondContact O-N 3.34Å; E152-D156 PolarHBondContact O-N 3.14Å
153	N	83.7	Confident	85.3	Confident	121 Å²	121	45.3 Å²	45.3	65%	0.647	27%	0.265	S	S	*	.	H	α-helix	trans	-55.2	-32.7	177.5	-58.9	12.5	0	0	0	112.8	Q151 V155 D156 D157	Q151-N153 PolarHBondContact O-N 2.86Å; N153-V155 PolarHBondContact O-N 2.97Å; N153-D156 PolarHBondContact O-N 3.13Å; N153-D157 WeakPolarHBondContact O-CB 3.45Å; N153-D157 PolarHBondContact O-N 3.45Å
154	S	84.6	Confident	84.2	Confident	39 Å²	39	52.5 Å²	52.5	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-69.6	-21.7	179.3	-172.4	0	0	0	0	113.4	R120 Q151 E152 A158	R120-S154 PolarHBondContact NH1-OG 3.25Å; Q151-S154 WeakPolarHBondContact O-CB 3.38Å; Q151-S154 PolarHBondContact O-N 2.94Å; Q151-S154 VanDerWaalsContact O-N 3.1Å; E152-S154 PolarHBondContact O-N 3.38Å; E152-S154 VanDerWaalsContact O-N 3.09Å; S154-A158 WeakPolarHBondContact O-CB 3.28Å
155	V	86.6	Confident	82.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-88	-41.5	173.1	-170.9	0	0	0	0	109.7	Y77 L121 Y124 F145 V147 E152 N153 D157 A158 I159	Y77-V155 HydrophobicContact CE2-CG1 3.86Å; Y77-V155 WeakPolarHBondContact OH-CB 2.94Å; Y77-V155 VanDerWaalsContact OH-CG1 3.24Å; Y77-V155 WeakPolarHBondContact OH-CG1 3.43Å; L121-V155 HydrophobicContact CD2-CG1 3.71Å; Y124-V155 HydrophobicContact CD2-CG2 3.71Å; Y124-V155 HydrophobicContact CE2-CG2 4.27Å; F145-V155 HydrophobicContact CD1-CG1 4.14Å; F145-V155 HydrophobicContact CE1-CG1 4.5Å; V147-V155 HydrophobicContact CG1-CG2 3.81Å; V147-V155 HydrophobicContact CG2-CG2 3.86Å; E152-V155 WeakPolarHBondContact O-CB 3.47Å; E152-V155 PolarHBondContact O-N 3.34Å; N153-V155 PolarHBondContact O-N 2.97Å; V155-D157 PolarHBondContact O-N 3.24Å; V155-A158 WeakPolarHBondContact O-CB 3.4Å; V155-A158 PolarHBondContact O-N 3.44Å; V155-A158 VanDerWaalsContact O-N 3.07Å; V155-I159 WeakPolarHBondContact O-CG1 3.29Å; V155-I159 PolarHBondContact O-N 2.98Å
156	D	86.1	Confident	81	Confident	36 Å²	36	57.8 Å²	57.8	19%	0.193	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-46.4	174.3	-63.7	-22.4	0	0	0	111.4	R75 Y77 E152 N153 A158 I159 A160 V189	R75-D156 IonicContact CZ-OD2 2.99Å; R75-D156 IonicContact NE-OD1 2.65Å; R75-D156 IonicContact NE-OD2 3.19Å; R75-D156 IonicContact NH2-OD1 3.02Å; R75-D156 IonicContact NH2-OD2 2.67Å; R75-D156 PolarHBondContact NH2-OD2 2.92Å; Y77-D156 VanDerWaalsContact CE1-OD1 3.28Å; Y77-D156 WeakPolarHBondContact CE1-OD1 3.32Å; Y77-D156 VanDerWaalsContact CZ-OD1 3.27Å; Y77-D156 PolarHBondContact OH-OD1 3.01Å; E152-D156 PolarHBondContact O-N 3.14Å; N153-D156 PolarHBondContact O-N 3.13Å; D156-A158 VanDerWaalsContact C-N 3.28Å; D156-A158 PolarHBondContact O-N 3.31Å; D156-I159 PolarHBondContact O-N 2.87Å; D156-A160 PolarHBondContact O-N 2.75Å; D156-V189 VanDerWaalsContact OD1-CG2 3.23Å; D156-V189 WeakPolarHBondContact OD1-CG2 3.38Å
157	D	85.9	Confident	78.6	Confident	92 Å²	92	56.9 Å²	56.9	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-54.7	-42.7	171.4	-71	-20.4	0	0	0	112.1	N153 V155 I159 A160 V161	N153-D157 WeakPolarHBondContact O-CB 3.45Å; N153-D157 PolarHBondContact O-N 3.45Å; V155-D157 PolarHBondContact O-N 3.24Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-A160 PolarHBondContact O-N 3.09Å; D157-V161 WeakPolarHBondContact O-CG2 3.43Å; D157-V161 PolarHBondContact O-N 3.43Å
158	A	86.4	Confident	76.4	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.033	38%	0.384	C	S	.	.	H	α-helix	trans	-73.2	-28.3	-176.5	0	0	0	0	0	112.5	R120 L121 S154 V155 D156 L162	R120-A158 HydrophobicContact CB-CB 4.18Å; L121-A158 HydrophobicContact CD2-CB 3.61Å; L121-A158 HydrophobicContact CG-CB 3.94Å; S154-A158 WeakPolarHBondContact O-CB 3.28Å; V155-A158 WeakPolarHBondContact O-CB 3.4Å; V155-A158 PolarHBondContact O-N 3.44Å; V155-A158 VanDerWaalsContact O-N 3.07Å; D156-A158 VanDerWaalsContact C-N 3.28Å; D156-A158 PolarHBondContact O-N 3.31Å; A158-L162 PolarHBondContact O-N 2.89Å
159	I	86.3	Confident	74.8	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-76.3	-40.7	170.1	-68.1	-65.5	0	0	0	110.8	Y77 Y115 L121 V155 D156 D157 V161 L162 N163 T187	Y77-I159 HydrophobicContact CD1-CB 4.46Å; Y77-I159 HydrophobicContact CD1-CG1 3.91Å; Y77-I159 HydrophobicContact CD1-CG2 4.22Å; Y77-I159 HydrophobicContact CE1-CB 4.24Å; Y77-I159 HydrophobicContact CE1-CG1 3.74Å; Y77-I159 HydrophobicContact CE1-CG2 4.42Å; Y115-I159 HydrophobicContact CD1-CD1 4.46Å; Y115-I159 HydrophobicContact CE1-CD1 3.89Å; L121-I159 HydrophobicContact CD1-CD1 3.83Å; L121-I159 HydrophobicContact CD2-CD1 3.89Å; L121-I159 HydrophobicContact CD2-CG1 3.95Å; V155-I159 WeakPolarHBondContact O-CG1 3.29Å; V155-I159 PolarHBondContact O-N 2.98Å; D156-I159 PolarHBondContact O-N 2.87Å; D157-I159 VanDerWaalsContact C-N 3.34Å; I159-V161 VanDerWaalsContact C-N 3.31Å; I159-V161 PolarHBondContact O-N 3.36Å; I159-L162 HydrophobicContact CD1-CD2 4.43Å; I159-L162 WeakPolarHBondContact O-CA 3.1Å; I159-L162 WeakPolarHBondContact O-CB 3.15Å; I159-L162 PolarHBondContact O-N 2.02Å; I159-N163 PolarHBondContact O-N 3.41Å; I159-T187 HydrophobicContact CD1-CG2 4.31Å; I159-T187 HydrophobicContact CG2-CG2 4.02Å; I159-T187 VanDerWaalsContact CG2-O 3.23Å; I159-T187 WeakPolarHBondContact CG2-O 3.48Å
160	A	83.4	Confident	73.6	Confident	44 Å²	44	66.1 Å²	66.1	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-58.6	-42.6	174.4	0	0	0	0	0	111.9	D156 D157 L162 N163 Q164	D156-A160 PolarHBondContact O-N 2.75Å; D157-A160 PolarHBondContact O-N 3.09Å; A160-L162 VanDerWaalsContact C-N 3.3Å; A160-L162 PolarHBondContact O-N 2.04Å; A160-N163 PolarHBondContact O-N 3.27Å; A160-Q164 WeakPolarHBondContact O-CG 3.24Å; A160-Q164 PolarHBondContact O-N 3.17Å
161	V	83	Confident	72.2	Confident	77 Å²	77	67 Å²	67	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-29.9	173.3	171	0	0	0	0	112.7	D157 I159	D157-V161 WeakPolarHBondContact O-CG2 3.43Å; D157-V161 PolarHBondContact O-N 3.43Å; I159-V161 VanDerWaalsContact C-N 3.31Å; I159-V161 PolarHBondContact O-N 3.36Å
162	L	82.3	Confident	70.5	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.042	39%	0.39	C	S	.	.	H	α-helix	trans	-70.1	-45	174.9	-177.2	64.4	0	0	0	111.1	I114 Y115 L121 A158 I159 A160 Q164 Q165 F170 M185	I114-L162 HydrophobicContact CG2-CD1 3.76Å; I114-L162 HydrophobicContact CG2-CD2 3.94Å; I114-L162 HydrophobicContact CG2-CG 4.47Å; Y115-L162 HydrophobicContact CD1-CD2 4.2Å; Y115-L162 HydrophobicContact CE1-CD2 3.91Å; L121-L162 HydrophobicContact CD1-CD2 4.44Å; A158-L162 PolarHBondContact O-N 2.89Å; I159-L162 HydrophobicContact CD1-CD2 4.43Å; I159-L162 WeakPolarHBondContact O-CA 3.1Å; I159-L162 WeakPolarHBondContact O-CB 3.15Å; I159-L162 PolarHBondContact O-N 2.02Å; A160-L162 VanDerWaalsContact C-N 3.3Å; A160-L162 PolarHBondContact O-N 2.04Å; L162-Q164 PolarHBondContact O-N 3.22Å; L162-Q165 WeakPolarHBondContact O-CB 3.44Å; L162-Q165 PolarHBondContact O-N 2.91Å; L162-Q165 VanDerWaalsContact O-N 3.13Å; L162-F170 HydrophobicContact CD1-CE1 4.46Å; L162-M185 HydrophobicContact CD2-CE 3.83Å; L162-M185 HydrophobicContact CD2-SD 4.47Å
163	N	78	Confident	68.7	Low	42 Å²	42	76.7 Å²	76.7	23%	0.225	42%	0.422	C	S	.	.	H	α-helix	trans	-61.8	-23.5	176.6	-66.1	-23.6	0	0	0	113.1	I159 A160 Q165 T187	I159-N163 PolarHBondContact O-N 3.41Å; A160-N163 PolarHBondContact O-N 3.27Å; N163-Q165 VanDerWaalsContact C-N 3.27Å; N163-Q165 PolarHBondContact O-N 3.06Å; N163-T187 PolarHBondContact ND2-O 2.61Å; N163-T187 PolarHBondContact OD1-N 3.07Å; N163-T187 PolarHBondContact OD1-O 3Å
164	Q	70.3	Confident	66.7	Low	151 Å²	151	75.5 Å²	75.5	71%	0.706	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-81.2	3.1	177.3	-71.3	173.4	5.9	0	0	114.1	A160 L162 D166	A160-Q164 WeakPolarHBondContact O-CG 3.24Å; A160-Q164 PolarHBondContact O-N 3.17Å; L162-Q164 PolarHBondContact O-N 3.22Å; Q164-D166 VanDerWaalsContact C-N 3.28Å; Q164-D166 PolarHBondContact O-N 3.41Å
165	Q	64.4	Low	64.8	Low	66 Å²	66	83.5 Å²	83.5	31%	0.308	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-83.3	5.8	-177.1	-63.4	-169.2	-0.8	0	0	115.1	L162 N163 A167 R168	L162-Q165 WeakPolarHBondContact O-CB 3.44Å; L162-Q165 PolarHBondContact O-N 2.91Å; L162-Q165 VanDerWaalsContact O-N 3.13Å; N163-Q165 VanDerWaalsContact C-N 3.27Å; N163-Q165 PolarHBondContact O-N 3.06Å; Q165-A167 PolarHBondContact O-N 3.2Å; Q165-R168 PolarHBondContact O-N 2.61Å; Q165-R168 VanDerWaalsContact O-N 3.16Å
166	D	50	Low	62.8	Low	95 Å²	95	85.9 Å²	85.9	51%	0.508	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-43.2	-31	178.7	-83.9	-9.1	0	0	0	115.1	Q164 K186	Q164-D166 VanDerWaalsContact C-N 3.28Å; Q164-D166 PolarHBondContact O-N 3.41Å; D166-K186 IonicContact OD2-NZ 3.27Å
167	A	40.4	Very low	61.1	Low	98 Å²	98	95.5 Å²	95.5	81%	0.81	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-102.7	-6.4	-172.1	0	0	0	0	0	116.4	Q165	Q165-A167 PolarHBondContact O-N 3.2Å
168	R	42	Very low	59.6	Low	240 Å²	240	92.2 Å²	92.2	91%	0.906	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-6.6	-174.8	-83.5	-175.5	-94.7	-173	-6	115.2	Q165	Q165-R168 PolarHBondContact O-N 2.61Å; Q165-R168 VanDerWaalsContact O-N 3.16Å
169	G	51.8	Low	58.6	Low	48 Å²	48	95.7 Å²	95.7	50%	0.495	52%	0.517	S	S	.	.			trans	74.1	142.3	-175.9	0	0	0	0	0	112.4
170	F	55.5	Low	58.3	Low	21 Å²	21	96.1 Å²	96.1	9%	0.092	52%	0.52	C	S	.	.			trans	-61.4	142.5	173.9	-63.9	-83.1	0	0	0	110.1	I114 L162 T172 V182 M185	I114-F170 HydrophobicContact CD1-CD1 4.45Å; L162-F170 HydrophobicContact CD1-CE1 4.46Å; F170-T172 PolarHBondContact O-N 3.25Å; F170-V182 HydrophobicContact CD2-CB 4.14Å; F170-V182 HydrophobicContact CD2-CG1 3.77Å; F170-V182 HydrophobicContact CE2-CG1 3.79Å; F170-V182 HydrophobicContact CG-CG1 4.37Å; F170-V182 HydrophobicContact CZ-CG1 4.39Å; F170-M185 HydrophobicContact CE1-CB 3.96Å; F170-M185 HydrophobicContact CE1-SD 4.48Å; F170-M185 HydrophobicContact CE2-CB 4.31Å; F170-M185 HydrophobicContact CZ-CB 3.53Å
171	P	49.3	Very low	58.2	Low	92 Å²	92	99.3 Å²	99.3	60%	0.597	53%	0.527	S	S	*	.			trans	-68.5	86.2	-169.5	25.8	-34.9	0	0	0	113.2	K173	P171-K173 PolarHBondContact O-N 2.78Å
172	T	47.7	Very low	58.1	Low	135 Å²	135	96.8 Å²	96.8	83%	0.828	51%	0.512	S	S	*	.			trans	-74.6	63.1	177	42.2	0	0	0	0	112.4	F170	F170-T172 PolarHBondContact O-N 3.25Å
173	K	44.6	Very low	57.8	Low	197 Å²	197	99.3 Å²	99.3	86%	0.857	53%	0.527	S	S	*	.			trans	-131.8	105.8	171.2	-75.2	-166.3	175.6	177.6	0	115.1	P171 K175	P171-K173 PolarHBondContact O-N 2.78Å; K173-K175 PolarHBondContact O-N 2.85Å
174	A	42.8	Very low	57.8	Low	96 Å²	96	99.2 Å²	99.2	79%	0.793	53%	0.527	S	S	*	.	S	Bend	trans	58.7	54.3	139.1	0	0	0	0	0	117.8
175	K	43.4	Very low	58.4	Low	206 Å²	206	92 Å²	92	90%	0.896	49%	0.494	S	S	*	.			trans	-175.3	1.1	143.2	-103.8	157.9	-171.1	179	0	116.5	K173 R177	K173-K175 PolarHBondContact O-N 2.85Å; K175-R177 PolarHBondContact O-N 3.15Å
176	S	45.8	Very low	59.4	Low	50 Å²	50	92.2 Å²	92.2	35%	0.35	49%	0.493	S	S	.	.			trans	-62.9	136.7	167.2	-169.4	0	0	0	0	109.9	E110 S178	E110-S176 PolarHBondContact OE2-OG 2.9Å; S176-S178 VanDerWaalsContact C-N 3.33Å; S176-S178 WeakPolarHBondContact OG-CB 3.43Å; S176-S178 PolarHBondContact OG-N 3.49Å; S176-S178 VanDerWaalsContact OG-N 3.08Å
177	R	50.3	Low	61	Low	239 Å²	239	87.8 Å²	87.8	90%	0.902	47%	0.469	S	S	*	.			trans	-85.5	-10.1	166.5	-94.2	-175.3	172.7	-179.1	-2.8	111.9	K175	K175-R177 PolarHBondContact O-N 3.15Å
178	S	54.8	Low	63.2	Low	22 Å²	22	84.1 Å²	84.1	15%	0.154	44%	0.438	C	S	.	.			trans	-75.2	143.4	177.6	119.8	0	0	0	0	110	E110 S176 L180	E110-S178 WeakPolarHBondContact OE2-CB 3.49Å; E110-S178 PolarHBondContact OE2-OG 3.46Å; S176-S178 VanDerWaalsContact C-N 3.33Å; S176-S178 WeakPolarHBondContact OG-CB 3.43Å; S176-S178 PolarHBondContact OG-N 3.49Å; S176-S178 VanDerWaalsContact OG-N 3.08Å; S178-L180 PolarHBondContact OG-N 3.05Å
179	S	64.1	Low	65.2	Low	77 Å²	77	74.9 Å²	74.9	54%	0.538	41%	0.408	S	S	.	.			trans	-95.2	7	175.6	51.4	0	0	0	0	112.5	N85	N85-S179 PolarHBondContact ND2-O 3.08Å
180	L	80.2	Confident	66.8	Low	15 Å²	15	73.8 Å²	73.8	8%	0.079	39%	0.391	C	S	.	.			trans	-80.9	133.3	-169.6	-55.4	-177.2	0	0	0	112.2	I83 Q86 L103 Q106 V107 S178	I83-L180 HydrophobicContact CD1-CD1 4.23Å; I83-L180 HydrophobicContact CG2-CB 4.33Å; I83-L180 HydrophobicContact CG2-CD2 4.16Å; Q86-L180 HydrophobicContact CG-CD2 4.07Å; L103-L180 HydrophobicContact CD1-CD2 4.2Å; Q106-L180 HydrophobicContact CB-CD1 3.79Å; Q106-L180 HydrophobicContact CB-CG 4.26Å; V107-L180 HydrophobicContact CG2-CD1 3.78Å; S178-L180 PolarHBondContact OG-N 3.05Å
181	Q	81.1	Confident	68	Low	111 Å²	111	73.8 Å²	73.8	52%	0.519	39%	0.392	S	S	.	.			trans	-98	96.4	172.9	-68.4	-174.5	-12	0	0	109.8	Q84 N85	Q84-Q181 HydrophobicContact CB-CB 4.48Å; Q84-Q181 PolarHBondContact N-O 3.18Å; N85-Q181 HydrophobicContact CB-CB 4.28Å; N85-Q181 HydrophobicContact CB-CG 4.31Å; N85-Q181 PolarHBondContact OD1-N 3.11Å
182	V	81.3	Confident	69.2	Low	24 Å²	24	73.7 Å²	73.7	15%	0.145	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.2	175.4	-177.8	0	0	0	0	109.8	M81 K82 E110 F170 M185	M81-V182 HydrophobicContact CE-CG1 4.24Å; M81-V182 HydrophobicContact CE-CG2 4.12Å; M81-V182 HydrophobicContact CG-CB 4.41Å; M81-V182 HydrophobicContact CG-CG1 3.59Å; M81-V182 HydrophobicContact CG-CG2 4Å; M81-V182 HydrophobicContact SD-CB 4.48Å; M81-V182 HydrophobicContact SD-CG1 4.11Å; M81-V182 HydrophobicContact SD-CG2 3.52Å; M81-V182 VanDerWaalsContact SD-CG2 3.52Å; K82-V182 WeakPolarHBondContact O-CA 3.37Å; E110-V182 HydrophobicContact CG-CG2 4.09Å; F170-V182 HydrophobicContact CD2-CB 4.14Å; F170-V182 HydrophobicContact CD2-CG1 3.77Å; F170-V182 HydrophobicContact CE2-CG1 3.79Å; F170-V182 HydrophobicContact CG-CG1 4.37Å; F170-V182 HydrophobicContact CZ-CG1 4.39Å; V182-M185 HydrophobicContact CG1-CB 4.34Å
183	T	76.4	Confident	70.8	Confident	60 Å²	60	68.9 Å²	68.9	37%	0.368	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-32.9	-178.6	46.7	0	0	0	0	113.8	K82 Q84	K82-T183 PolarHBondContact O-N 3.42Å; K82-T183 PolarHBondContact O-OG1 2.57Å; Q84-T183 HydrophobicContact CB-CG2 3.74Å; Q84-T183 HydrophobicContact CG-CG2 4.45Å; Q84-T183 VanDerWaalsContact OE1-CG2 3.27Å
184	D	78.1	Confident	72.3	Confident	40 Å²	40	60 Å²	60	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.8	178.1	174.3	19.7	0	0	0	107.6	M81 K82 K186	M81-D184 CarbonylContact C-O 3.59Å; M81-D184 WeakPolarHBondContact CA-O 3.33Å; K82-D184 HydrophobicContact CB-CB 4.05Å; K82-D184 PolarHBondContact N-O 2.95Å; D184-K186 WeakPolarHBondContact OD1-CE 3.14Å
185	M	83.3	Confident	73.6	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	115.9	173.5	-179.9	-176.9	162.7	0	0	108.8	S80 M81 L111 I114 Y115 Y141 L162 F170 V182 T187	S80-M185 WeakPolarHBondContact O-CA 3.17Å; M81-M185 HydrophobicContact CE-CG 4.09Å; M81-M185 HydrophobicContact CE-SD 3.51Å; M81-M185 VanDerWaalsContact CE-SD 3.51Å; L111-M185 HydrophobicContact CD2-CE 3.54Å; L111-M185 HydrophobicContact CD2-SD 4.13Å; I114-M185 HydrophobicContact CD1-SD 3.74Å; I114-M185 HydrophobicContact CG2-CE 4.29Å; I114-M185 HydrophobicContact CG2-SD 4Å; Y115-M185 HydrophobicContact CE1-CE 3.81Å; Y141-M185 HydrophobicContact CE2-CE 4.33Å; Y141-M185 WeakPolarHBondContact OH-CE 3.48Å; Y141-M185 WeakPolarHBondContact OH-CG 3.39Å; L162-M185 HydrophobicContact CD2-CE 3.83Å; L162-M185 HydrophobicContact CD2-SD 4.47Å; F170-M185 HydrophobicContact CE1-CB 3.96Å; F170-M185 HydrophobicContact CE1-SD 4.48Å; F170-M185 HydrophobicContact CE2-CB 4.31Å; F170-M185 HydrophobicContact CZ-CB 3.53Å; V182-M185 HydrophobicContact CG1-CB 4.34Å; M185-T187 WeakPolarHBondContact CE-OG1 3.38Å
186	K	84.1	Confident	75	Confident	70 Å²	70	52 Å²	52	30%	0.304	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.5	175.4	-59.8	-171.6	-178.5	-172.8	0	109.6	G79 S80 Y141 D166 D184	G79-K186 CarbonylContact C-O 3.58Å; G79-K186 WeakPolarHBondContact CA-O 3.39Å; S80-K186 PolarHBondContact N-O 3.38Å; S80-K186 PolarHBondContact O-N 2.85Å; Y141-K186 PolarHBondContact OH-O 3.12Å; D166-K186 IonicContact OD2-NZ 3.27Å; D184-K186 WeakPolarHBondContact OD1-CE 3.14Å
187	T	85.2	Confident	75.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.2	-177.2	-51.1	0	0	0	0	109.6	Y77 I78 Y141 I159 N163 M185	Y77-T187 HydrophobicContact CD1-CG2 4.31Å; Y77-T187 HydrophobicContact CG-CG2 4.31Å; I78-T187 CarbonylContact O-C 3.58Å; I78-T187 WeakPolarHBondContact O-CA 3.47Å; Y141-T187 PolarHBondContact OH-OG1 2.93Å; I159-T187 HydrophobicContact CD1-CG2 4.31Å; I159-T187 HydrophobicContact CG2-CG2 4.02Å; I159-T187 VanDerWaalsContact CG2-O 3.23Å; I159-T187 WeakPolarHBondContact CG2-O 3.48Å; N163-T187 PolarHBondContact ND2-O 2.61Å; N163-T187 PolarHBondContact OD1-N 3.07Å; N163-T187 PolarHBondContact OD1-O 3Å; M185-T187 WeakPolarHBondContact CE-OG1 3.38Å
188	S	84.8	Confident	76.6	Confident	22 Å²	22	48.2 Å²	48.2	15%	0.154	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	163.5	171.8	70.8	0	0	0	0	110.9	Y77 I78 E273	Y77-S188 CarbonylContact C-O 3.5Å; Y77-S188 WeakPolarHBondContact CA-O 3.17Å; Y77-S188 WeakPolarHBondContact CB-O 3.18Å; I78-S188 PolarHBondContact N-O 2.7Å; I78-S188 PolarHBondContact O-N 2.94Å; S188-E273 PolarHBondContact OG-N 2.78Å
189	V	84.8	Confident	77.8	Confident	46 Å²	46	48.4 Å²	48.4	28%	0.279	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	144.1	162	-165.4	0	0	0	0	107.5	Y77 D156	Y77-V189 HydrophobicContact CD1-CG2 4.1Å; Y77-V189 HydrophobicContact CE1-CB 4.47Å; Y77-V189 HydrophobicContact CE1-CG2 3.63Å; D156-V189 VanDerWaalsContact OD1-CG2 3.23Å; D156-V189 WeakPolarHBondContact OD1-CG2 3.38Å
190	I	84.7	Confident	78.4	Confident	24 Å²	24	51.3 Å²	51.3	12%	0.123	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.7	147.1	167.9	-162.4	173.1	0	0	0	109.7	I76 I78 S192 M194 P271	I76-I190 HydrophobicContact CB-CG2 3.72Å; I76-I190 HydrophobicContact CG2-CB 4.34Å; I76-I190 HydrophobicContact CG2-CG2 3.88Å; I76-I190 PolarHBondContact O-N 2.72Å; I76-I190 VanDerWaalsContact O-N 3.11Å; I78-I190 HydrophobicContact CD1-CD1 4.28Å; I78-I190 HydrophobicContact CG2-CB 4.43Å; I190-S192 PolarHBondContact O-N 3.16Å; I190-S192 VanDerWaalsContact O-N 3.15Å; I190-M194 HydrophobicContact CD1-CB 4.14Å; I190-M194 HydrophobicContact CD1-SD 4.15Å; I190-M194 HydrophobicContact CG1-CB 4.31Å; I190-M194 HydrophobicContact CG1-SD 3.8Å; I190-P271 HydrophobicContact CD1-CG 4.36Å
191	D	80.5	Confident	78.4	Confident	21 Å²	21	53 Å²	53	11%	0.112	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-57.1	122.6	169.4	-173.4	-23.6	0	0	0	110.2	R193 M194	D191-R193 PolarHBondContact O-N 2.66Å; D191-R193 VanDerWaalsContact OD1-CB 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.1Å; D191-R193 WeakPolarHBondContact OD1-CG 3.06Å; D191-R193 PolarHBondContact OD1-N 3.13Å; D191-R193 IonicContact OD1-NE 2.6Å; D191-R193 PolarHBondContact OD1-NE 3.05Å; D191-R193 IonicContact OD2-CZ 2.77Å; D191-R193 IonicContact OD2-NE 3.4Å; D191-R193 PolarHBondContact OD2-NE 3.5Å; D191-R193 IonicContact OD2-NH2 3.36Å; D191-R193 PolarHBondContact OD2-NH2 2.01Å; D191-M194 HydrophobicContact CB-CE 3.65Å; D191-M194 HydrophobicContact CB-CG 4.17Å; D191-M194 HydrophobicContact CB-SD 4.13Å; D191-M194 WeakPolarHBondContact O-CB 3.4Å; D191-M194 PolarHBondContact O-N 2.95Å
192	S	75.2	Confident	78.6	Confident	90 Å²	90	54.6 Å²	54.6	63%	0.629	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-52.1	-27.2	177.5	65.8	0	0	0	0	113.9	I190 M194 S195	I190-S192 PolarHBondContact O-N 3.16Å; I190-S192 VanDerWaalsContact O-N 3.15Å; S192-M194 VanDerWaalsContact C-N 3.32Å; S192-M194 PolarHBondContact O-N 3.15Å; S192-S195 PolarHBondContact O-N 2.66Å; S192-S195 PolarHBondContact O-OG 2.86Å
193	R	80.6	Confident	78.9	Confident	34 Å²	34	56.7 Å²	56.7	13%	0.128	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.7	-35.8	176	-64.2	-177.9	-70.9	-178.8	-4.4	111.9	D191 S195 R196 Y199 C258 F262 E279	D191-R193 PolarHBondContact O-N 2.66Å; D191-R193 VanDerWaalsContact OD1-CB 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.1Å; D191-R193 WeakPolarHBondContact OD1-CG 3.06Å; D191-R193 PolarHBondContact OD1-N 3.13Å; D191-R193 IonicContact OD1-NE 2.6Å; D191-R193 PolarHBondContact OD1-NE 3.05Å; D191-R193 IonicContact OD2-CZ 2.77Å; D191-R193 IonicContact OD2-NE 3.4Å; D191-R193 PolarHBondContact OD2-NE 3.5Å; D191-R193 IonicContact OD2-NH2 3.36Å; D191-R193 PolarHBondContact OD2-NH2 2.01Å; R193-S195 VanDerWaalsContact C-N 3.3Å; R193-S195 PolarHBondContact O-N 2.9Å; R193-R196 WeakPolarHBondContact O-CB 3.45Å; R193-R196 WeakPolarHBondContact O-CD 3.27Å; R193-R196 WeakPolarHBondContact O-CG 3.32Å; R193-R196 PolarHBondContact O-N 3.28Å; R193-Y199 WeakPolarHBondContact O-CE2 3.49Å; R193-Y199 PolarHBondContact O-OH 3.08Å; R193-Y199 VanDerWaalsContact O-OH 3.1Å; R193-C258 PolarHBondContact NH1-O 3.1Å; R193-F262 HydrophobicContact CB-CE1 3.93Å; R193-F262 HydrophobicContact CB-CZ 4.12Å; R193-E279 IonicContact CZ-OE1 2.97Å; R193-E279 VanDerWaalsContact CZ-OE1 3.27Å; R193-E279 IonicContact CZ-OE2 3.97Å; R193-E279 IonicContact NH1-OE1 3.15Å; R193-E279 PolarHBondContact NH1-OE1 3.43Å; R193-E279 IonicContact NH1-OE2 2.65Å; R193-E279 IonicContact NH2-OE1 3.14Å; R193-E279 PolarHBondContact NH2-OE1 3.13Å; R193-E279 IonicContact NH2-OE2 3.38Å; R193-E279 PolarHBondContact NH2-OE2 2.95Å
194	M	77.3	Confident	79.6	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.049	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-72.6	-21.7	-178.1	-60.6	173.5	-165.9	0	0	113.6	I190 D191 S192 F232 Y266 P271	I190-M194 HydrophobicContact CD1-CB 4.14Å; I190-M194 HydrophobicContact CD1-SD 4.15Å; I190-M194 HydrophobicContact CG1-CB 4.31Å; I190-M194 HydrophobicContact CG1-SD 3.8Å; D191-M194 HydrophobicContact CB-CE 3.65Å; D191-M194 HydrophobicContact CB-CG 4.17Å; D191-M194 HydrophobicContact CB-SD 4.13Å; D191-M194 WeakPolarHBondContact O-CB 3.4Å; D191-M194 PolarHBondContact O-N 2.95Å; S192-M194 VanDerWaalsContact C-N 3.32Å; S192-M194 PolarHBondContact O-N 3.15Å; M194-F232 HydrophobicContact CB-CE2 4.26Å; M194-F232 HydrophobicContact CB-CZ 3.96Å; M194-F232 HydrophobicContact CG-CE2 4Å; M194-F232 HydrophobicContact CG-CZ 3.88Å; M194-Y266 HydrophobicContact CE-CE2 4.33Å; M194-Y266 WeakPolarHBondContact CE-OH 3.28Å; M194-P271 HydrophobicContact CE-CB 3.66Å; M194-P271 HydrophobicContact CE-CG 4.33Å; M194-P271 HydrophobicContact SD-CB 3.46Å; M194-P271 WeakPolarHBondContact SD-CB 3.45Å; M194-P271 HydrophobicContact SD-CG 3.45Å; M194-P271 WeakPolarHBondContact SD-CG 3.36Å
195	S	69.9	Low	80.2	Confident	61 Å²	61	58.2 Å²	58.2	43%	0.427	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-104.9	24.4	176	61.4	0	0	0	0	112.9	S192 R193 T197	S192-S195 PolarHBondContact O-N 2.66Å; S192-S195 PolarHBondContact O-OG 2.86Å; R193-S195 VanDerWaalsContact C-N 3.3Å; R193-S195 PolarHBondContact O-N 2.9Å; S195-T197 PolarHBondContact O-N 3.23Å
196	R	72.4	Confident	80.5	Confident	74 Å²	74	64.8 Å²	64.8	28%	0.279	35%	0.347	S	S	.	.			trans	-61.2	120.2	176.5	-83.8	170.6	175.6	175	0.5	110.5	R193 S198 Y199 S259 N260	R193-R196 WeakPolarHBondContact O-CB 3.45Å; R193-R196 WeakPolarHBondContact O-CD 3.27Å; R193-R196 WeakPolarHBondContact O-CG 3.32Å; R193-R196 PolarHBondContact O-N 3.28Å; R196-S198 PolarHBondContact O-N 2.04Å; R196-S198 VanDerWaalsContact O-N 3.07Å; R196-Y199 HydrophobicContact CB-CD2 3.92Å; R196-Y199 HydrophobicContact CB-CE2 3.77Å; R196-Y199 HydrophobicContact CB-CG 4.47Å; R196-Y199 VanDerWaalsContact O-CD2 3.32Å; R196-Y199 WeakPolarHBondContact O-CD2 3.32Å; R196-Y199 PolarHBondContact O-N 3.27Å; R196-S259 PolarHBondContact NH1-O 3.18Å; R196-S259 PolarHBondContact NH2-O 2.86Å; R196-N260 PolarHBondContact NH1-O 3.48Å
197	T	63.8	Low	80.9	Confident	152 Å²	152	63 Å²	63	93%	0.933	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.3	173	53.1	0	0	0	0	113.8	S195	S195-T197 PolarHBondContact O-N 3.23Å
198	S	66.6	Low	81.3	Confident	58 Å²	58	65.4 Å²	65.4	41%	0.406	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.6	173.9	61.8	0	0	0	0	113.6	R196 I200 N230	R196-S198 PolarHBondContact O-N 2.04Å; R196-S198 VanDerWaalsContact O-N 3.07Å; S198-I200 PolarHBondContact O-N 2.78Å; S198-N230 WeakPolarHBondContact O-CB 3.21Å
199	Y	79.3	Confident	81.6	Confident	25 Å²	25	64.3 Å²	64.3	10%	0.098	34%	0.344	C	S	.	.			trans	-65.1	125.3	178.3	-66.8	-46.9	0	0	0	111.4	R193 R196 N230 F232 T305	R193-Y199 WeakPolarHBondContact O-CE2 3.49Å; R193-Y199 PolarHBondContact O-OH 3.08Å; R193-Y199 VanDerWaalsContact O-OH 3.1Å; R196-Y199 HydrophobicContact CB-CD2 3.92Å; R196-Y199 HydrophobicContact CB-CE2 3.77Å; R196-Y199 HydrophobicContact CB-CG 4.47Å; R196-Y199 VanDerWaalsContact O-CD2 3.32Å; R196-Y199 WeakPolarHBondContact O-CD2 3.32Å; R196-Y199 PolarHBondContact O-N 3.27Å; Y199-N230 CarbonylContact C-O 3.59Å; Y199-N230 WeakPolarHBondContact CA-O 3.48Å; Y199-F232 HydrophobicContact CD1-CB 4.15Å; Y199-F232 HydrophobicContact CD2-CB 3.82Å; Y199-F232 HydrophobicContact CD2-CG 4.36Å; Y199-F232 HydrophobicContact CE1-CB 4.19Å; Y199-F232 HydrophobicContact CE2-CB 3.84Å; Y199-F232 AromaticContact CE2-CD2 3.98Å; Y199-F232 HydrophobicContact CE2-CD2 3.98Å; Y199-F232 HydrophobicContact CE2-CG 4.02Å; Y199-F232 HydrophobicContact CG-CB 3.98Å; Y199-F232 AromaticContact CZ-CD2 4Å; Y199-T305 WeakPolarHBondContact CE1-O 3.07Å
200	I	76.9	Confident	82	Confident	139 Å²	139	66.5 Å²	66.5	71%	0.713	35%	0.35	S	S	*	.	S	Bend	trans	-92.2	-27.3	-178.6	-59	173.4	0	0	0	110.6	S198 N230	S198-I200 PolarHBondContact O-N 2.78Å; I200-N230 HydrophobicContact CB-CB 4.39Å; I200-N230 HydrophobicContact CD1-CB 3.87Å; I200-N230 HydrophobicContact CG1-CB 3.82Å; I200-N230 PolarHBondContact N-O 3.4Å
201	S	80.4	Confident	82.2	Confident	49 Å²	49	69.4 Å²	69.4	34%	0.343	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	124.1	-178.5	-168.8	0	0	0	0	111	T231 F232	S201-T231 WeakPolarHBondContact O-CA 3.08Å; S201-F232 PolarHBondContact O-N 3.06Å
202	E	85.2	Confident	82.4	Confident	146 Å²	146	76.5 Å²	76.5	68%	0.682	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.1	169.5	-65.2	-179	-168.5	0	0	109.2	F232	E202-F232 CarbonylContact C-O 3.54Å; E202-F232 VanDerWaalsContact CA-O 3.3Å; E202-F232 WeakPolarHBondContact CA-O 3.18Å; E202-F232 HydrophobicContact CG-CB 4.37Å
203	T	88	Confident	83.2	Confident	68 Å²	68	76.5 Å²	76.5	42%	0.417	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.1	178.9	-55.8	0	0	0	0	110.2	F232 T233 Q234	T203-F232 PolarHBondContact N-O 3.17Å; T203-T233 CarbonylContact O-C 3.57Å; T203-T233 WeakPolarHBondContact O-CA 3.43Å; T203-Q234 PolarHBondContact O-N 3.47Å
204	K	89.6	Confident	83.8	Confident	94 Å²	94	80.6 Å²	80.6	41%	0.409	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.4	-178.4	-175.2	168.4	-179.5	168.4	0	111.2	Q234 E236	K204-Q234 WeakPolarHBondContact CA-O 3.33Å; K204-Q234 HydrophobicContact CG-CB 4.36Å; K204-E236 WeakPolarHBondContact CE-OE1 3.4Å; K204-E236 WeakPolarHBondContact CE-OE2 3.04Å; K204-E236 IonicContact NZ-OE1 2.77Å; K204-E236 PolarHBondContact NZ-OE1 3.32Å; K204-E236 IonicContact NZ-OE2 2.95Å; K204-E236 PolarHBondContact NZ-OE2 2.98Å
205	S	91.1	Very high	84.6	Confident	38 Å²	38	81.5 Å²	81.5	27%	0.266	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.3	177.9	-58.7	0	0	0	0	109.7	Q234 W235 E236	S205-Q234 PolarHBondContact N-O 3.06Å; S205-W235 WeakPolarHBondContact O-CA 3.34Å; S205-E236 PolarHBondContact O-N 3.16Å
206	R	91.1	Very high	85.7	Confident	138 Å²	138	85.2 Å²	85.2	52%	0.521	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	173.4	-68.4	-174.4	-70.7	-145.8	5.7	108.6	S95 D96 E236	S95-R206 PolarHBondContact OG-NH1 2.88Å; D96-R206 IonicContact OD2-NH2 2.66Å; R206-E236 WeakPolarHBondContact CD-OE2 3.45Å; R206-E236 HydrophobicContact CG-CB 4.3Å; R206-E236 VanDerWaalsContact CG-OE2 3.24Å; R206-E236 WeakPolarHBondContact CG-OE2 3.41Å
207	I	92.6	Very high	86.7	Confident	33 Å²	33	81.9 Å²	81.9	17%	0.169	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.5	-171.8	-64.4	174.5	0	0	0	108.8	V215 I217 E236 L237 R238	I207-V215 HydrophobicContact CG2-CB 4.21Å; I207-V215 HydrophobicContact CG2-CG1 3.74Å; I207-V215 HydrophobicContact CG2-CG2 4.33Å; I207-I217 HydrophobicContact CD1-CG2 3.33Å; I207-E236 PolarHBondContact N-O 3.46Å; I207-L237 HydrophobicContact CB-CD2 4.05Å; I207-L237 HydrophobicContact CD1-CD2 4.14Å; I207-L237 HydrophobicContact CG2-CD2 4.38Å; I207-R238 PolarHBondContact O-N 3.46Å
208	H	92.3	Very high	88.1	Confident	51 Å²	51	77.9 Å²	77.9	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.9	173.2	-158.9	115.9	0	0	0	108.9	E93 K210 R238 D240	E93-H208 IonicContact OE1-CE1 2.64Å; E93-H208 IonicContact OE1-ND1 3.74Å; E93-H208 IonicContact OE2-ND1 2.78Å; H208-K210 VanDerWaalsContact CD2-CE 3.44Å; H208-K210 WeakPolarHBondContact CD2-CE 3.5Å; H208-K210 PolarHBondContact CD2-NZ 2.97Å; H208-K210 PolarHBondContact NE2-NZ 3.43Å; H208-K210 VanDerWaalsContact NE2-NZ 3.11Å; H208-R238 CarbonylContact C-O 3.45Å; H208-R238 VanDerWaalsContact CA-O 3.29Å; H208-R238 WeakPolarHBondContact CA-O 3.33Å; H208-D240 IonicContact CD2-OD1 3.94Å; H208-D240 IonicContact NE2-OD1 3.81Å; H208-D240 PolarHBondContact NE2-OD1 2.93Å
209	T	92.4	Very high	89.2	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.372	C	S	.	.			trans	-89.8	140.5	176.8	170.8	0	0	0	0	110.9	E213 R238 I245 V318 Q320	T209-E213 PolarHBondContact OG1-O 3.4Å; T209-R238 VanDerWaalsContact CG2-O 3.31Å; T209-R238 WeakPolarHBondContact CG2-O 3.05Å; T209-R238 PolarHBondContact N-O 2.79Å; T209-I245 HydrophobicContact CG2-CD1 3.87Å; T209-V318 HydrophobicContact CG2-CG1 4.37Å; T209-Q320 HydrophobicContact CG2-CB 3.89Å; T209-Q320 HydrophobicContact CG2-CG 4.19Å; T209-Q320 PolarHBondContact O-OE1 2.64Å
210	K	91.3	Very high	89.4	Confident	92 Å²	92	78.8 Å²	78.8	40%	0.4	40%	0.396	S	S	.	.			trans	-107.5	166.5	175.7	-62.2	-62	173.4	-172.4	0	112.4	H208 N212 E213 D240	H208-K210 VanDerWaalsContact CD2-CE 3.44Å; H208-K210 WeakPolarHBondContact CD2-CE 3.5Å; H208-K210 PolarHBondContact CD2-NZ 2.97Å; H208-K210 PolarHBondContact NE2-NZ 3.43Å; H208-K210 VanDerWaalsContact NE2-NZ 3.11Å; K210-N212 PolarHBondContact O-N 2.87Å; K210-E213 HydrophobicContact CB-CB 4.32Å; K210-E213 WeakPolarHBondContact CB-OE2 3.21Å; K210-E213 PolarHBondContact N-OE2 2.03Å; K210-E213 VanDerWaalsContact N-OE2 3.13Å; K210-E213 VanDerWaalsContact O-CB 3.31Å; K210-E213 WeakPolarHBondContact O-CB 3.25Å; K210-E213 PolarHBondContact O-N 3.37Å; K210-D240 WeakPolarHBondContact CD-OD1 3.18Å; K210-D240 IonicContact NZ-OD1 3.73Å; K210-D240 PolarHBondContact NZ-OD1 2.8Å
211	P	89.4	Confident	89.5	Confident	84 Å²	84	74 Å²	74	55%	0.545	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	131.6	-174.2	-16.1	29.3	0	0	0	110.6	E213 D240 Q320	P211-E213 PolarHBondContact O-N 2.88Å; P211-D240 WeakPolarHBondContact CD-OD2 3.39Å; P211-Q320 VanDerWaalsContact CG-NE2 3.32Å
212	N	85.8	Confident	89.7	Confident	171 Å²	171	72.8 Å²	72.8	91%	0.914	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	14	-172.9	-41.6	-67.7	0	0	0	115.1	K210	K210-N212 PolarHBondContact O-N 2.87Å
213	E	91.9	Very high	89.3	Confident	89 Å²	89	69.7 Å²	69.7	42%	0.416	36%	0.363	S	S	.	.			trans	-97.2	134.4	170	-170.9	178.7	-159.6	0	0	110.3	T209 K210 P211 V215	T209-E213 PolarHBondContact OG1-O 3.4Å; K210-E213 HydrophobicContact CB-CB 4.32Å; K210-E213 WeakPolarHBondContact CB-OE2 3.21Å; K210-E213 PolarHBondContact N-OE2 2.03Å; K210-E213 VanDerWaalsContact N-OE2 3.13Å; K210-E213 VanDerWaalsContact O-CB 3.31Å; K210-E213 WeakPolarHBondContact O-CB 3.25Å; K210-E213 PolarHBondContact O-N 3.37Å; P211-E213 PolarHBondContact O-N 2.88Å; E213-V215 HydrophobicContact CG-CG2 4.13Å
214	I	92.4	Very high	88.9	Confident	120 Å²	120	70.9 Å²	70.9	62%	0.615	38%	0.379	S	S	*	.			trans	-113	110.2	172.4	-55.8	177.8	0	0	0	107.5	H317 V318	I214-H317 HydrophobicContact CG2-CB 3.76Å; I214-V318 WeakPolarHBondContact CA-O 3.41Å
215	V	94.4	Very high	88.6	Confident	30 Å²	30	73.8 Å²	73.8	18%	0.182	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.5	177.5	-173.4	0	0	0	0	109.1	I207 E213 H317 V318	I207-V215 HydrophobicContact CG2-CB 4.21Å; I207-V215 HydrophobicContact CG2-CG1 3.74Å; I207-V215 HydrophobicContact CG2-CG2 4.33Å; E213-V215 HydrophobicContact CG-CG2 4.13Å; V215-H317 WeakPolarHBondContact O-CA 3.48Å; V215-V318 PolarHBondContact N-O 2.91Å; V215-V318 PolarHBondContact O-N 2.82Å
216	R	92.7	Very high	88.3	Confident	138 Å²	138	75 Å²	75	52%	0.521	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.2	178.5	-161.2	174.8	89.5	-141.3	-1.8	110.9	E218 R315	R216-E218 IonicContact CZ-OE1 3.23Å; R216-E218 IonicContact CZ-OE2 3.92Å; R216-E218 VanDerWaalsContact CZ-OE2 3.23Å; R216-E218 IonicContact NE-OE1 2.75Å; R216-E218 IonicContact NE-OE2 2.6Å; R216-E218 PolarHBondContact NE-OE2 3.46Å; R216-E218 IonicContact NH2-OE1 3.84Å; R216-E218 PolarHBondContact NH2-OE1 3.35Å; R216-E218 IonicContact NH2-OE2 2.95Å; R216-E218 PolarHBondContact NH2-OE2 3.3Å; R216-R315 HydrophobicContact CG-CG 3.97Å
217	I	94.1	Very high	88	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.1	168.5	62.2	173.2	0	0	0	109.7	I207 W235 L247 V301 F314 R315 A316 V318	I207-I217 HydrophobicContact CD1-CG2 3.33Å; I217-W235 HydrophobicContact CD1-CG 4.34Å; I217-W235 HydrophobicContact CG2-CG 4.36Å; I217-L247 HydrophobicContact CD1-CD1 4.02Å; I217-V301 HydrophobicContact CD1-CG2 4.36Å; I217-F314 HydrophobicContact CD1-CE2 4.11Å; I217-F314 HydrophobicContact CG1-CE2 4.2Å; I217-R315 WeakPolarHBondContact O-CA 3.27Å; I217-A316 HydrophobicContact CD1-CB 4.32Å; I217-A316 HydrophobicContact CG1-CB 3.91Å; I217-A316 PolarHBondContact N-O 2.9Å; I217-A316 PolarHBondContact O-N 3.48Å; I217-V318 HydrophobicContact CD1-CG2 4.09Å; I217-V318 HydrophobicContact CG1-CG2 4.19Å; I217-V318 HydrophobicContact CG2-CG2 4.29Å
218	E	91.8	Very high	87.7	Confident	67 Å²	67	73.4 Å²	73.4	31%	0.313	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.7	-179.6	64.1	-160.3	-175.6	0	0	112.2	R216 F222 F314 R315	R216-E218 IonicContact CZ-OE1 3.23Å; R216-E218 IonicContact CZ-OE2 3.92Å; R216-E218 VanDerWaalsContact CZ-OE2 3.23Å; R216-E218 IonicContact NE-OE1 2.75Å; R216-E218 IonicContact NE-OE2 2.6Å; R216-E218 PolarHBondContact NE-OE2 3.46Å; R216-E218 IonicContact NH2-OE1 3.84Å; R216-E218 PolarHBondContact NH2-OE1 3.35Å; R216-E218 IonicContact NH2-OE2 2.95Å; R216-E218 PolarHBondContact NH2-OE2 3.3Å; E218-F222 HydrophobicContact CB-CB 4.31Å; E218-F314 VanDerWaalsContact CA-O 3.32Å; E218-F314 WeakPolarHBondContact CA-O 3.46Å; E218-R315 HydrophobicContact CB-CB 4.12Å; E218-R315 HydrophobicContact CB-CG 4.01Å; E218-R315 WeakPolarHBondContact OE2-CD 3.38Å
219	T	90.3	Very high	87.4	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.031	40%	0.402	C	S	.	.			trans	-68.7	145.3	171.5	49	0	0	0	0	110.8	G221 F222 M303 P312 G313 F314	T219-G221 PolarHBondContact O-N 3.47Å; T219-F222 WeakPolarHBondContact O-CB 2.96Å; T219-F222 PolarHBondContact O-N 2.92Å; T219-M303 HydrophobicContact CG2-CE 4.03Å; T219-M303 HydrophobicContact CG2-SD 3.42Å; T219-M303 WeakPolarHBondContact CG2-SD 3.36Å; T219-P312 PolarHBondContact OG1-O 3.38Å; T219-G313 WeakPolarHBondContact OG1-CA 3.16Å; T219-F314 HydrophobicContact CG2-CD1 3.63Å; T219-F314 HydrophobicContact CG2-CE1 3.88Å; T219-F314 HydrophobicContact CG2-CG 4.34Å; T219-F314 PolarHBondContact N-O 3.48Å; T219-F314 PolarHBondContact OG1-N 3.4Å; T219-F314 VanDerWaalsContact OG1-N 3.13Å; T219-F314 PolarHBondContact OG1-O 3.5Å
220	T	84.3	Confident	87.1	Confident	98 Å²	98	74.8 Å²	74.8	60%	0.601	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	111.2	-175	56.1	0	0	0	0	111.5
221	G	78.2	Confident	87	Confident	39 Å²	39	71.1 Å²	71.1	40%	0.402	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	-0.5	-179.5	0	0	0	0	0	115.6	T219 A224 K225	T219-G221 PolarHBondContact O-N 3.47Å; G221-A224 PolarHBondContact O-N 2.97Å; G221-K225 PolarHBondContact O-N 3.48Å
222	F	84.6	Confident	87.1	Confident	22 Å²	22	67.7 Å²	67.7	10%	0.096	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	142	179.2	-170.7	-90.5	0	0	0	113.1	E218 T219 A251 Y253 P312 G313 R315	E218-F222 HydrophobicContact CB-CB 4.31Å; T219-F222 WeakPolarHBondContact O-CB 2.96Å; T219-F222 PolarHBondContact O-N 2.92Å; F222-A251 HydrophobicContact CZ-CB 4.14Å; F222-Y253 AromaticContact CE2-CD2 3.9Å; F222-Y253 HydrophobicContact CE2-CD2 3.9Å; F222-Y253 HydrophobicContact CE2-CE2 4.14Å; F222-Y253 HydrophobicContact CZ-CD2 4.29Å; F222-Y253 HydrophobicContact CZ-CE2 4.06Å; F222-P312 HydrophobicContact CD2-CB 4.2Å; F222-P312 WeakPolarHBondContact CD2-O 3.19Å; F222-P312 HydrophobicContact CE2-CB 4.2Å; F222-G313 WeakPolarHBondContact CE2-O 3.45Å; F222-R315 HydrophobicContact CD1-CB 3.72Å; F222-R315 HydrophobicContact CE1-CB 3.57Å; F222-R315 HydrophobicContact CG-CB 4.4Å; F222-R315 HydrophobicContact CZ-CB 4.14Å
223	P	77.3	Confident	87.3	Confident	82 Å²	82	60.6 Å²	60.6	53%	0.532	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.3	-2.3	-14.4	36.4	-35	0	0	0	112.7	K225	P223-K225 PolarHBondContact O-N 3.46Å
224	A	80.6	Confident	87.4	Confident	93 Å²	93	58 Å²	58	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15	-165.5	0	0	0	0	0	114.7	G221	G221-A224 PolarHBondContact O-N 2.97Å
225	K	83.1	Confident	87.6	Confident	155 Å²	155	53 Å²	53	67%	0.674	29%	0.294	S	S	*	.	S	Bend	trans	-138.7	149.3	176.7	-64.4	-176.4	179.8	-180	0	109.4	G221 P223	G221-K225 PolarHBondContact O-N 3.48Å; P223-K225 PolarHBondContact O-N 3.46Å
226	S	84.4	Confident	87.6	Confident	62 Å²	62	52.1 Å²	52.1	43%	0.434	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-66.3	156.1	170.3	56.6	0	0	0	0	111.6	N310 F311	S226-N310 WeakPolarHBondContact CB-O 3.46Å; S226-F311 WeakPolarHBondContact CA-O 3Å; S226-F311 WeakPolarHBondContact CB-O 3.36Å
227	Y	84.5	Confident	87.7	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.027	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-63.3	168.3	167.7	49.8	-103.6	0	0	0	111.3	L254 D261 M303 T305 N310 F311	Y227-L254 HydrophobicContact CE1-CG 4.37Å; Y227-D261 WeakPolarHBondContact CE2-OD2 3.39Å; Y227-D261 PolarHBondContact OH-OD2 3.18Å; Y227-M303 HydrophobicContact CD1-CE 3.45Å; Y227-M303 VanDerWaalsContact CD1-CE 3.45Å; Y227-M303 HydrophobicContact CD2-CE 4.27Å; Y227-M303 HydrophobicContact CE1-CE 3.61Å; Y227-M303 HydrophobicContact CE2-CE 4.38Å; Y227-M303 HydrophobicContact CG-CE 3.81Å; Y227-T305 HydrophobicContact CD2-CG2 3.48Å; Y227-T305 VanDerWaalsContact CD2-CG2 3.48Å; Y227-T305 HydrophobicContact CE2-CG2 3.54Å; Y227-T305 HydrophobicContact CG-CG2 4.18Å; Y227-N310 HydrophobicContact CD2-CB 4.02Å; Y227-N310 VanDerWaalsContact CD2-OD1 3.29Å; Y227-N310 WeakPolarHBondContact CD2-OD1 3.24Å; Y227-N310 HydrophobicContact CE2-CB 3.82Å; Y227-N310 WeakPolarHBondContact CE2-OD1 3.12Å; Y227-N310 PolarHBondContact O-OD1 2.88Å; Y227-F311 WeakPolarHBondContact CD1-O 3.31Å; Y227-F311 HydrophobicContact CE1-CB 3.98Å; Y227-F311 WeakPolarHBondContact CE1-O 3.21Å; Y227-F311 VanDerWaalsContact CZ-N 3.3Å; Y227-F311 PolarHBondContact N-O 2.89Å; Y227-F311 VanDerWaalsContact N-O 3.09Å; Y227-F311 PolarHBondContact OH-N 2.89Å
228	K	85.1	Confident	87.7	Confident	131 Å²	131	46.3 Å²	46.3	57%	0.57	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-80.6	142.4	178.1	-68.3	178.6	-177.2	175.4	0	110.5	T231 T305	K228-T231 HydrophobicContact CB-CG2 3.54Å; K228-T231 HydrophobicContact CD-CG2 4.48Å; K228-T231 PolarHBondContact O-OG1 3.21Å; K228-T231 VanDerWaalsContact O-OG1 3.1Å; K228-T305 PolarHBondContact O-OG1 3.43Å
229	P	86.6	Confident	87.7	Confident	58 Å²	58	43.1 Å²	43.1	38%	0.377	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	154.4	171.2	27.3	-33.6	0	0	0	111.1	T231 N306 N310	P229-T231 VanDerWaalsContact C-N 3.33Å; P229-T231 PolarHBondContact O-N 2.79Å; P229-N306 CarbonylContact C-O 3.41Å; P229-N306 WeakPolarHBondContact CA-O 3.27Å; P229-N306 WeakPolarHBondContact CB-O 3.37Å; P229-N310 VanDerWaalsContact CA-OD1 3.26Å; P229-N310 WeakPolarHBondContact CA-OD1 3.06Å; P229-N310 VanDerWaalsContact N-OD1 3.07Å
230	N	87.3	Confident	87.7	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.123	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	47.1	177.8	-65.8	-54	0	0	0	113	S198 Y199 I200 T305 N306 D307	S198-N230 WeakPolarHBondContact O-CB 3.21Å; Y199-N230 CarbonylContact C-O 3.59Å; Y199-N230 WeakPolarHBondContact CA-O 3.48Å; I200-N230 HydrophobicContact CB-CB 4.39Å; I200-N230 HydrophobicContact CD1-CB 3.87Å; I200-N230 HydrophobicContact CG1-CB 3.82Å; I200-N230 PolarHBondContact N-O 3.4Å; N230-T305 VanDerWaalsContact CA-O 3.3Å; N230-T305 WeakPolarHBondContact CA-O 3.37Å; N230-T305 PolarHBondContact N-O 2.87Å; N230-T305 PolarHBondContact N-OG1 2.89Å; N230-N306 PolarHBondContact N-O 3.24Å; N230-D307 WeakPolarHBondContact ND2-CB 3.35Å; N230-D307 PolarHBondContact OD1-N 3.46Å
231	T	88.1	Confident	87.8	Confident	15 Å²	15	47.9 Å²	47.9	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.2	175.4	63.9	0	0	0	0	112	S201 K228 P229 T305	S201-T231 WeakPolarHBondContact O-CA 3.08Å; K228-T231 HydrophobicContact CB-CG2 3.54Å; K228-T231 HydrophobicContact CD-CG2 4.48Å; K228-T231 PolarHBondContact O-OG1 3.21Å; K228-T231 VanDerWaalsContact O-OG1 3.1Å; P229-T231 VanDerWaalsContact C-N 3.33Å; P229-T231 PolarHBondContact O-N 2.79Å; T231-T305 PolarHBondContact N-OG1 2.93Å; T231-T305 PolarHBondContact O-N 2.97Å; T231-T305 PolarHBondContact O-OG1 2.62Å; T231-T305 PolarHBondContact OG1-OG1 2.91Å
232	F	91	Very high	88.1	Confident	12 Å²	12	48.5 Å²	48.5	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.6	172	-172.3	-115.7	0	0	0	108.5	M194 Y199 S201 E202 T203 Q234 T302 M303	M194-F232 HydrophobicContact CB-CE2 4.26Å; M194-F232 HydrophobicContact CB-CZ 3.96Å; M194-F232 HydrophobicContact CG-CE2 4Å; M194-F232 HydrophobicContact CG-CZ 3.88Å; Y199-F232 HydrophobicContact CD1-CB 4.15Å; Y199-F232 HydrophobicContact CD2-CB 3.82Å; Y199-F232 HydrophobicContact CD2-CG 4.36Å; Y199-F232 HydrophobicContact CE1-CB 4.19Å; Y199-F232 HydrophobicContact CE2-CB 3.84Å; Y199-F232 AromaticContact CE2-CD2 3.98Å; Y199-F232 HydrophobicContact CE2-CD2 3.98Å; Y199-F232 HydrophobicContact CE2-CG 4.02Å; Y199-F232 HydrophobicContact CG-CB 3.98Å; Y199-F232 AromaticContact CZ-CD2 4Å; S201-F232 PolarHBondContact O-N 3.06Å; E202-F232 CarbonylContact C-O 3.54Å; E202-F232 VanDerWaalsContact CA-O 3.3Å; E202-F232 WeakPolarHBondContact CA-O 3.18Å; E202-F232 HydrophobicContact CG-CB 4.37Å; T203-F232 PolarHBondContact N-O 3.17Å; F232-Q234 HydrophobicContact CD1-CG 4.2Å; F232-Q234 HydrophobicContact CE1-CG 3.67Å; F232-Q234 HydrophobicContact CZ-CG 4.12Å; F232-T302 HydrophobicContact CZ-CG2 4.37Å; F232-M303 CarbonylContact C-O 3.54Å; F232-M303 WeakPolarHBondContact CA-O 3.32Å; F232-M303 WeakPolarHBondContact CD2-O 3.41Å
233	T	91.9	Very high	88.5	Confident	21 Å²	21	48.1 Å²	48.1	13%	0.129	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.8	-176.8	-52.8	0	0	0	0	110.3	T203 W235 T302 M303	T203-T233 CarbonylContact O-C 3.57Å; T203-T233 WeakPolarHBondContact O-CA 3.43Å; T233-W235 HydrophobicContact CG2-CD2 4.15Å; T233-W235 HydrophobicContact CG2-CE3 4.12Å; T233-W235 HydrophobicContact CG2-CH2 3.42Å; T233-W235 VanDerWaalsContact CG2-CH2 3.42Å; T233-W235 HydrophobicContact CG2-CZ2 3.44Å; T233-W235 VanDerWaalsContact CG2-CZ2 3.44Å; T233-W235 HydrophobicContact CG2-CZ3 3.76Å; T233-T302 CarbonylContact O-C 3.56Å; T233-T302 WeakPolarHBondContact O-CA 3.36Å; T233-M303 PolarHBondContact N-O 2.88Å; T233-M303 PolarHBondContact O-N 2.78Å
234	Q	93.6	Very high	89.2	Confident	35 Å²	35	44.9 Å²	44.9	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.8	179.6	-62.4	-167.9	-48.2	0	0	110.6	T203 K204 S205 F232 L300 V301 T302	T203-Q234 PolarHBondContact O-N 3.47Å; K204-Q234 WeakPolarHBondContact CA-O 3.33Å; K204-Q234 HydrophobicContact CG-CB 4.36Å; S205-Q234 PolarHBondContact N-O 3.06Å; F232-Q234 HydrophobicContact CD1-CG 4.2Å; F232-Q234 HydrophobicContact CE1-CG 3.67Å; F232-Q234 HydrophobicContact CZ-CG 4.12Å; Q234-L300 HydrophobicContact CB-CD1 4.15Å; Q234-V301 WeakPolarHBondContact CA-O 3.46Å; Q234-T302 HydrophobicContact CG-CG2 4.22Å
235	W	95.8	Very high	90	Very high	15 Å²	15	40.4 Å²	40.4	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	102.9	170.6	-59.6	-97.4	0	0	0	108.6	S205 I217 T233 L237 V301 M303 F314	S205-W235 WeakPolarHBondContact O-CA 3.34Å; I217-W235 HydrophobicContact CD1-CG 4.34Å; I217-W235 HydrophobicContact CG2-CG 4.36Å; T233-W235 HydrophobicContact CG2-CD2 4.15Å; T233-W235 HydrophobicContact CG2-CE3 4.12Å; T233-W235 HydrophobicContact CG2-CH2 3.42Å; T233-W235 VanDerWaalsContact CG2-CH2 3.42Å; T233-W235 HydrophobicContact CG2-CZ2 3.44Å; T233-W235 VanDerWaalsContact CG2-CZ2 3.44Å; T233-W235 HydrophobicContact CG2-CZ3 3.76Å; W235-L237 HydrophobicContact CB-CD2 4.06Å; W235-L237 PolarHBondContact O-N 3Å; W235-V301 HydrophobicContact CB-CB 4.37Å; W235-V301 HydrophobicContact CE3-CB 4.13Å; W235-V301 HydrophobicContact CE3-CG1 4.03Å; W235-V301 HydrophobicContact CZ3-CG1 4.39Å; W235-V301 PolarHBondContact N-O 2.8Å; W235-V301 PolarHBondContact O-N 2.82Å; W235-M303 HydrophobicContact CH2-CB 4.21Å; W235-M303 HydrophobicContact CZ3-CB 3.84Å; W235-F314 HydrophobicContact CE3-CZ 4.14Å; W235-F314 AromaticContact CH2-CE1 3.65Å; W235-F314 HydrophobicContact CH2-CE1 3.65Å; W235-F314 AromaticContact CH2-CZ 3.53Å; W235-F314 HydrophobicContact CH2-CZ 3.53Å; W235-F314 HydrophobicContact CZ2-CZ 4.09Å; W235-F314 AromaticContact CZ3-CE1 3.82Å; W235-F314 HydrophobicContact CZ3-CE1 3.82Å; W235-F314 AromaticContact CZ3-CZ 3.57Å; W235-F314 HydrophobicContact CZ3-CZ 3.57Å
236	E	94.6	Very high	90.5	Very high	11 Å²	11	35 Å²	35	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	109.9	169.7	-75	179.6	156.8	0	0	108.3	K204 S205 R206 I207 L269 L300	K204-E236 WeakPolarHBondContact CE-OE1 3.4Å; K204-E236 WeakPolarHBondContact CE-OE2 3.04Å; K204-E236 IonicContact NZ-OE1 2.77Å; K204-E236 PolarHBondContact NZ-OE1 3.32Å; K204-E236 IonicContact NZ-OE2 2.95Å; K204-E236 PolarHBondContact NZ-OE2 2.98Å; S205-E236 PolarHBondContact O-N 3.16Å; R206-E236 WeakPolarHBondContact CD-OE2 3.45Å; R206-E236 HydrophobicContact CG-CB 4.3Å; R206-E236 VanDerWaalsContact CG-OE2 3.24Å; R206-E236 WeakPolarHBondContact CG-OE2 3.41Å; I207-E236 PolarHBondContact N-O 3.46Å; E236-L269 HydrophobicContact CB-CD2 4.36Å; E236-L300 HydrophobicContact CG-CD1 3.96Å
237	L	95.4	Very high	91.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.1	-179.9	-48	179.5	0	0	0	109	I207 W235 I245 L247 V298 M299 V301 V318	I207-L237 HydrophobicContact CB-CD2 4.05Å; I207-L237 HydrophobicContact CD1-CD2 4.14Å; I207-L237 HydrophobicContact CG2-CD2 4.38Å; W235-L237 HydrophobicContact CB-CD2 4.06Å; W235-L237 PolarHBondContact O-N 3Å; L237-I245 HydrophobicContact CB-CG2 4.41Å; L237-I245 HydrophobicContact CD1-CG2 4.33Å; L237-L247 HydrophobicContact CD1-CD1 4.47Å; L237-V298 WeakPolarHBondContact O-CA 3.31Å; L237-M299 WeakPolarHBondContact CA-O 3.45Å; L237-M299 HydrophobicContact CB-CB 4.26Å; L237-M299 WeakPolarHBondContact CB-O 3.25Å; L237-M299 HydrophobicContact CD1-CB 4.35Å; L237-M299 HydrophobicContact CD1-CG 4.45Å; L237-M299 HydrophobicContact CD1-SD 4.28Å; L237-M299 PolarHBondContact N-O 3.28Å; L237-M299 PolarHBondContact O-N 2.03Å; L237-V301 HydrophobicContact CD1-CG2 4Å; L237-V318 HydrophobicContact CB-CG1 4.45Å; L237-V318 HydrophobicContact CD1-CG1 3.94Å; L237-V318 HydrophobicContact CD1-CG2 3.77Å; L237-V318 HydrophobicContact CD2-CG1 4.32Å; L237-V318 HydrophobicContact CD2-CG2 4.07Å; L237-V318 HydrophobicContact CG-CG1 4.47Å
238	R	92.7	Very high	91.5	Very high	20 Å²	20	34.8 Å²	34.8	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.2	173.1	-69.3	-174.5	-179.2	-100.5	9.2	110.8	F133 I207 H208 T209 L269 N297 V298	F133-R238 PolarHBondContact O-NH1 3.03Å; F133-R238 PolarHBondContact O-NH2 2.82Å; I207-R238 PolarHBondContact O-N 3.46Å; H208-R238 CarbonylContact C-O 3.45Å; H208-R238 VanDerWaalsContact CA-O 3.29Å; H208-R238 WeakPolarHBondContact CA-O 3.33Å; T209-R238 VanDerWaalsContact CG2-O 3.31Å; T209-R238 WeakPolarHBondContact CG2-O 3.05Å; T209-R238 PolarHBondContact N-O 2.79Å; R238-L269 HydrophobicContact CG-CD2 4.12Å; R238-L269 VanDerWaalsContact CZ-CD1 3.4Å; R238-L269 VanDerWaalsContact NH2-CD1 3.33Å; R238-N297 CarbonylContact C-O 3.54Å; R238-N297 WeakPolarHBondContact CA-O 3.24Å; R238-V298 HydrophobicContact CG-CG1 4.48Å
239	G	92	Very high	91.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.			trans	-129.2	174.9	169.6	0	0	0	0	0	109.5	N297	G239-N297 PolarHBondContact N-O 3.06Å; G239-N297 PolarHBondContact O-ND2 3Å
240	D	90.6	Very high	91.7	Very high	47 Å²	47	27.6 Å²	27.6	25%	0.251	15%	0.148	S	C	.	.	S	Bend	trans	-66.6	154.9	176.9	-57.8	-37.8	0	0	0	111.5	H208 K210 P211 G242 S243 N297 Q320	H208-D240 IonicContact CD2-OD1 3.94Å; H208-D240 IonicContact NE2-OD1 3.81Å; H208-D240 PolarHBondContact NE2-OD1 2.93Å; K210-D240 WeakPolarHBondContact CD-OD1 3.18Å; K210-D240 IonicContact NZ-OD1 3.73Å; K210-D240 PolarHBondContact NZ-OD1 2.8Å; P211-D240 WeakPolarHBondContact CD-OD2 3.39Å; D240-G242 PolarHBondContact O-N 3.15Å; D240-S243 PolarHBondContact N-OG 3.48Å; D240-S243 VanDerWaalsContact O-CB 3.26Å; D240-S243 WeakPolarHBondContact O-CB 3.35Å; D240-S243 PolarHBondContact O-N 2.76Å; D240-S243 PolarHBondContact O-OG 2.6Å; D240-N297 WeakPolarHBondContact O-CB 3.07Å; D240-Q320 PolarHBondContact OD2-NE2 3.23Å
241	E	85.7	Confident	91.5	Very high	156 Å²	156	26.8 Å²	26.8	73%	0.729	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	130.8	-178.1	-177.4	177.2	-164.4	0	0	111.8	E135 S243	E135-E241 HydrophobicContact CG-CB 4.35Å; E135-E241 HydrophobicContact CG-CG 4.2Å; E241-S243 VanDerWaalsContact C-N 3.27Å; E241-S243 PolarHBondContact O-N 2.86Å
242	G	85.8	Confident	91.4	Very high	53 Å²	53	26 Å²	26	55%	0.546	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.6	-179.9	0	0	0	0	0	115.2	D240 P323	D240-G242 PolarHBondContact O-N 3.15Å; G242-P323 WeakPolarHBondContact O-CD 3.21Å; G242-P323 WeakPolarHBondContact O-CG 3.3Å
243	S	91.7	Very high	91.2	Very high	13 Å²	13	29.1 Å²	29.1	9%	0.091	15%	0.152	C	C	.	.			trans	-87.6	170.4	167.6	74.7	0	0	0	0	112.5	D240 E241 G296 N297 Q320	D240-S243 PolarHBondContact N-OG 3.48Å; D240-S243 VanDerWaalsContact O-CB 3.26Å; D240-S243 WeakPolarHBondContact O-CB 3.35Å; D240-S243 PolarHBondContact O-N 2.76Å; D240-S243 PolarHBondContact O-OG 2.6Å; E241-S243 VanDerWaalsContact C-N 3.27Å; E241-S243 PolarHBondContact O-N 2.86Å; S243-G296 CarbonylContact O-C 3.53Å; S243-G296 VanDerWaalsContact O-C 3.23Å; S243-N297 WeakPolarHBondContact O-CA 3.49Å; S243-N297 WeakPolarHBondContact O-CB 3.07Å; S243-N297 PolarHBondContact O-N 3.14Å; S243-N297 VanDerWaalsContact O-N 3.13Å; S243-Q320 PolarHBondContact OG-OE1 3.31Å; S243-Q320 VanDerWaalsContact OG-OE1 3.05Å
244	I	93.7	Very high	90.9	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.072	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.8	169.7	-73.5	173.5	0	0	0	109.2	Y293 S294 G296 Q320 V321 P323 L326	I244-Y293 HydrophobicContact CG2-CD1 4.09Å; I244-S294 WeakPolarHBondContact CG2-O 3.21Å; I244-G296 WeakPolarHBondContact CA-O 3.24Å; I244-Q320 CarbonylContact O-C 3.59Å; I244-Q320 VanDerWaalsContact O-CA 3.29Å; I244-Q320 WeakPolarHBondContact O-CA 3.43Å; I244-V321 HydrophobicContact CB-CG2 3.99Å; I244-V321 HydrophobicContact CG2-CG2 4.06Å; I244-V321 PolarHBondContact N-O 2.72Å; I244-V321 PolarHBondContact O-N 3.43Å; I244-P323 HydrophobicContact CD1-CB 3.94Å; I244-P323 HydrophobicContact CD1-CG 4.14Å; I244-P323 HydrophobicContact CG1-CG 4.19Å; I244-L326 HydrophobicContact CD1-CD1 3.8Å; I244-L326 HydrophobicContact CG2-CD1 4.17Å
245	I	95.8	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128	173.2	-49.7	-57	0	0	0	109.5	T209 L237 Y293 S294 G296 M299 V318	T209-I245 HydrophobicContact CG2-CD1 3.87Å; L237-I245 HydrophobicContact CB-CG2 4.41Å; L237-I245 HydrophobicContact CD1-CG2 4.33Å; I245-Y293 WeakPolarHBondContact O-CA 3.48Å; I245-S294 WeakPolarHBondContact CB-OG 3.08Å; I245-S294 PolarHBondContact N-OG 3.27Å; I245-S294 PolarHBondContact O-N 3.32Å; I245-S294 VanDerWaalsContact O-N 3.09Å; I245-S294 PolarHBondContact O-OG 2.84Å; I245-G296 PolarHBondContact N-O 2.86Å; I245-M299 HydrophobicContact CB-CB 4.23Å; I245-M299 HydrophobicContact CB-CE 4.32Å; I245-M299 HydrophobicContact CG1-CB 4.34Å; I245-M299 HydrophobicContact CG2-CB 4.25Å; I245-M299 HydrophobicContact CG2-CE 4.37Å; I245-M299 HydrophobicContact CG2-SD 4.33Å; I245-V318 HydrophobicContact CG2-CG1 3.8Å
246	K	95.3	Very high	89.4	Confident	42 Å²	42	33.2 Å²	33.2	18%	0.183	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124	164.3	-177.4	-170.2	177.1	-157.8	0	108.6	E248 T291 Y293 V318 S319 V321	K246-E248 VanDerWaalsContact CE-OE2 3.29Å; K246-E248 WeakPolarHBondContact CE-OE2 3.3Å; K246-E248 IonicContact NZ-OE2 3.99Å; K246-E248 PolarHBondContact NZ-OE2 3.41Å; K246-T291 HydrophobicContact CD-CG2 4.39Å; K246-T291 VanDerWaalsContact CE-CG2 3.41Å; K246-T291 HydrophobicContact CG-CG2 4.1Å; K246-Y293 HydrophobicContact CB-CD1 3.92Å; K246-Y293 HydrophobicContact CB-CE1 3.63Å; K246-Y293 HydrophobicContact CD-CE1 3.91Å; K246-Y293 HydrophobicContact CG-CD1 4.11Å; K246-Y293 HydrophobicContact CG-CE1 3.52Å; K246-V318 WeakPolarHBondContact O-CA 3.35Å; K246-S319 PolarHBondContact N-O 2.75Å; K246-S319 PolarHBondContact O-N 2.89Å; K246-V321 HydrophobicContact CB-CG1 4.23Å
247	L	96	Very high	88.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.7	173.3	174.7	67.8	0	0	0	109	I217 L237 F249 I265 T291 F292 M299 V301 A316 V318	I217-L247 HydrophobicContact CD1-CD1 4.02Å; L237-L247 HydrophobicContact CD1-CD1 4.47Å; L247-F249 HydrophobicContact CD1-CE2 4.49Å; L247-F249 HydrophobicContact CD2-CE2 3.6Å; L247-F249 HydrophobicContact CD2-CZ 3.97Å; L247-F249 HydrophobicContact CG-CD2 4.34Å; L247-F249 HydrophobicContact CG-CE2 3.83Å; L247-F249 HydrophobicContact CG-CZ 4.45Å; L247-I265 HydrophobicContact CD2-CD1 4.05Å; L247-I265 HydrophobicContact CD2-CG1 4.33Å; L247-I265 HydrophobicContact CD2-CG2 4.17Å; L247-T291 CarbonylContact O-C 3.59Å; L247-T291 WeakPolarHBondContact O-CA 3.19Å; L247-F292 PolarHBondContact N-O 2.91Å; L247-F292 PolarHBondContact O-N 3.34Å; L247-M299 HydrophobicContact CB-CE 4.34Å; L247-M299 HydrophobicContact CB-SD 3.7Å; L247-M299 HydrophobicContact CD2-SD 3.76Å; L247-M299 HydrophobicContact CG-SD 4.36Å; L247-V301 HydrophobicContact CD1-CG2 4.46Å; L247-V301 HydrophobicContact CD2-CG2 3.55Å; L247-A316 HydrophobicContact CD1-CB 3.71Å; L247-V318 HydrophobicContact CD1-CG2 3.87Å
248	E	93.9	Very high	87.9	Confident	64 Å²	64	37.6 Å²	37.6	30%	0.299	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.6	-177.4	-176	171.9	96.3	0	0	109.7	K246 L290 A316 H317	K246-E248 VanDerWaalsContact CE-OE2 3.29Å; K246-E248 WeakPolarHBondContact CE-OE2 3.3Å; K246-E248 IonicContact NZ-OE2 3.99Å; K246-E248 PolarHBondContact NZ-OE2 3.41Å; E248-L290 CarbonylContact C-O 3.52Å; E248-L290 WeakPolarHBondContact CA-O 3.33Å; E248-A316 CarbonylContact O-C 3.42Å; E248-A316 WeakPolarHBondContact O-CA 3.48Å; E248-A316 WeakPolarHBondContact O-CB 3.13Å; E248-H317 PolarHBondContact N-O 2.95Å; E248-H317 PolarHBondContact O-N 3.17Å
249	F	92.1	Very high	87.3	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.6	178.2	-70.3	-101.6	0	0	0	110.4	L247 M252 V263 I265 L280 L290 F292 F314 A316	L247-F249 HydrophobicContact CD1-CE2 4.49Å; L247-F249 HydrophobicContact CD2-CE2 3.6Å; L247-F249 HydrophobicContact CD2-CZ 3.97Å; L247-F249 HydrophobicContact CG-CD2 4.34Å; L247-F249 HydrophobicContact CG-CE2 3.83Å; L247-F249 HydrophobicContact CG-CZ 4.45Å; F249-M252 HydrophobicContact CD1-SD 4.32Å; F249-M252 HydrophobicContact CE1-SD 4.27Å; F249-V263 HydrophobicContact CE1-CG1 4.44Å; F249-V263 HydrophobicContact CZ-CG1 4.26Å; F249-I265 HydrophobicContact CE2-CD1 3.75Å; F249-I265 HydrophobicContact CZ-CD1 4Å; F249-L280 HydrophobicContact CE2-CD1 4.21Å; F249-L280 HydrophobicContact CZ-CD1 4.2Å; F249-L290 HydrophobicContact CB-CB 4.25Å; F249-L290 HydrophobicContact CD2-CB 4.21Å; F249-L290 PolarHBondContact N-O 3.47Å; F249-F292 HydrophobicContact CD2-CD2 4.11Å; F249-F292 AromaticContact CD2-CE2 3.97Å; F249-F292 HydrophobicContact CD2-CE2 3.97Å; F249-F292 AromaticContact CE2-CD2 3.84Å; F249-F292 HydrophobicContact CE2-CD2 3.84Å; F249-F292 AromaticContact CE2-CE2 3.79Å; F249-F292 HydrophobicContact CE2-CE2 3.79Å; F249-F314 HydrophobicContact CD1-CB 4.24Å; F249-F314 AromaticContact CD1-CD2 3.79Å; F249-F314 HydrophobicContact CD1-CD2 3.79Å; F249-F314 HydrophobicContact CD1-CG 4.25Å; F249-F314 HydrophobicContact CE1-CB 4.37Å; F249-F314 AromaticContact CE1-CD2 3.49Å; F249-F314 HydrophobicContact CE1-CD2 3.49Å; F249-F314 VanDerWaalsContact CE1-CD2 3.49Å; F249-F314 AromaticContact CE1-CE2 3.86Å; F249-F314 HydrophobicContact CE1-CE2 3.86Å; F249-F314 AromaticContact CE1-CG 3.95Å; F249-F314 HydrophobicContact CE1-CG 3.95Å; F249-A316 HydrophobicContact CD1-CB 3.9Å; F249-A316 HydrophobicContact CD2-CB 4.47Å; F249-A316 HydrophobicContact CE1-CB 4.22Å; F249-A316 HydrophobicContact CG-CB 4.04Å
250	D	83.5	Confident	86.9	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-44.1	172.8	-75.1	4.2	0	0	0	111.2	P286 R315 H317	D250-P286 WeakPolarHBondContact O-CA 2.99Å; D250-P286 WeakPolarHBondContact O-CB 3.3Å; D250-P286 WeakPolarHBondContact O-CG 3.49Å; D250-R315 PolarHBondContact N-O 3.16Å; D250-R315 IonicContact OD2-CZ 3.08Å; D250-R315 IonicContact OD2-NE 3.45Å; D250-R315 PolarHBondContact OD2-NE 2.77Å; D250-R315 IonicContact OD2-NH2 3.63Å; D250-R315 PolarHBondContact OD2-NH2 2.96Å; D250-H317 IonicContact OD1-CE1 2.67Å; D250-H317 PolarHBondContact OD1-CE1 3.35Å; D250-H317 IonicContact OD1-CG 2.68Å; D250-H317 IonicContact OD1-ND1 3.84Å; D250-H317 PolarHBondContact OD1-ND1 2.81Å; D250-H317 IonicContact OD2-CE1 2.82Å; D250-H317 PolarHBondContact OD2-CE1 2.95Å; D250-H317 IonicContact OD2-ND1 2.62Å
251	A	82.6	Confident	86.7	Confident	6 Å²	6	39.6 Å²	39.6	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	144	-172.9	0	0	0	0	0	109.2	F222 Y253 P286 F314 R315	F222-A251 HydrophobicContact CZ-CB 4.14Å; A251-Y253 HydrophobicContact CB-CE2 3.73Å; A251-P286 HydrophobicContact CB-CG 4.13Å; A251-F314 WeakPolarHBondContact O-CA 3.35Å; A251-R315 PolarHBondContact O-N 2.87Å
252	M	85.8	Confident	86.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.6	-178.9	177.5	166.9	174.9	0	0	109.5	F249 L254 V263 L280 H283 Y284 F314	F249-M252 HydrophobicContact CD1-SD 4.32Å; F249-M252 HydrophobicContact CE1-SD 4.27Å; M252-L254 HydrophobicContact CE-CB 4.43Å; M252-L254 HydrophobicContact CE-CD1 3.54Å; M252-L254 HydrophobicContact CE-CD2 3.91Å; M252-L254 HydrophobicContact CE-CG 4.16Å; M252-L254 HydrophobicContact CG-CD1 3.67Å; M252-L254 HydrophobicContact SD-CD1 4.42Å; M252-V263 HydrophobicContact CE-CB 3.78Å; M252-V263 HydrophobicContact CE-CG2 3.7Å; M252-L280 HydrophobicContact CE-CB 3.51Å; M252-L280 WeakPolarHBondContact CE-O 3.45Å; M252-L280 HydrophobicContact SD-CB 3.98Å; M252-L280 HydrophobicContact SD-CD1 4.05Å; M252-H283 CarbonylContact O-C 3.54Å; M252-H283 WeakPolarHBondContact O-CA 3.26Å; M252-H283 PolarHBondContact O-ND1 3.21Å; M252-Y284 HydrophobicContact CB-CD2 4.06Å; M252-Y284 HydrophobicContact CG-CD2 4.1Å; M252-Y284 PolarHBondContact N-O 2.9Å; M252-Y284 VanDerWaalsContact N-O 3.1Å; M252-Y284 PolarHBondContact O-N 2.98Å; M252-Y284 HydrophobicContact SD-CD2 3.98Å; M252-Y284 HydrophobicContact SD-CE2 4.26Å; M252-F314 HydrophobicContact CB-CB 4Å; M252-F314 HydrophobicContact CG-CB 3.97Å
253	Y	86.5	Confident	87.3	Confident	76 Å²	76	29.6 Å²	29.6	30%	0.298	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	94.6	-178.6	-54	-101.6	0	0	0	107.7	F222 A251 H283 F311 P312 G313	F222-Y253 AromaticContact CE2-CD2 3.9Å; F222-Y253 HydrophobicContact CE2-CD2 3.9Å; F222-Y253 HydrophobicContact CE2-CE2 4.14Å; F222-Y253 HydrophobicContact CZ-CD2 4.29Å; F222-Y253 HydrophobicContact CZ-CE2 4.06Å; A251-Y253 HydrophobicContact CB-CE2 3.73Å; Y253-H283 AromaticContact CD1-CE1 3.34Å; Y253-H283 WeakPolarHBondContact CD1-CE1 3.39Å; Y253-H283 AromaticContact CD1-CG 3.94Å; Y253-H283 AromaticContact CD1-ND1 3.18Å; Y253-H283 WeakPolarHBondContact CD1-ND1 3.38Å; Y253-H283 AromaticContact CE1-CE1 3.04Å; Y253-H283 WeakPolarHBondContact CE1-CE1 3.5Å; Y253-H283 AromaticContact CE1-ND1 3.45Å; Y253-H283 WeakPolarHBondContact CE1-ND1 3.26Å; Y253-H283 AromaticContact CE1-NE2 3.7Å; Y253-H283 AromaticContact CG-ND1 3.71Å; Y253-H283 AromaticContact CZ-CE1 3.62Å; Y253-F311 WeakPolarHBondContact O-CB 3.39Å; Y253-P312 HydrophobicContact CD2-CB 4.33Å; Y253-P312 HydrophobicContact CG-CB 4.44Å; Y253-P312 HydrophobicContact CG-CG 4.4Å; Y253-G313 PolarHBondContact N-O 3.36Å; Y253-G313 VanDerWaalsContact O-CA 3.29Å; Y253-G313 WeakPolarHBondContact O-CA 3.31Å; Y253-G313 PolarHBondContact O-N 2.64Å
254	L	85.1	Confident	87.4	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.149	C	C	.	.			trans	-122	174.5	172.8	-83.6	76.7	0	0	0	110.4	Y227 M252 D261 V263 E282 M303	Y227-L254 HydrophobicContact CE1-CG 4.37Å; M252-L254 HydrophobicContact CE-CB 4.43Å; M252-L254 HydrophobicContact CE-CD1 3.54Å; M252-L254 HydrophobicContact CE-CD2 3.91Å; M252-L254 HydrophobicContact CE-CG 4.16Å; M252-L254 HydrophobicContact CG-CD1 3.67Å; M252-L254 HydrophobicContact SD-CD1 4.42Å; L254-D261 HydrophobicContact CD2-CB 4.38Å; L254-V263 HydrophobicContact CD1-CG2 4.33Å; L254-V263 HydrophobicContact CD2-CG2 3.84Å; L254-E282 PolarHBondContact N-O 3.29Å; L254-M303 HydrophobicContact CD1-CE 4.37Å; L254-M303 HydrophobicContact CD2-CE 4.06Å; L254-M303 HydrophobicContact CG-CE 4.17Å
255	E	82.6	Confident	87.5	Confident	27 Å²	27	28.4 Å²	28.4	13%	0.126	15%	0.146	C	C	.	.			trans	-62.4	148.5	169.8	-162.9	-177.4	160.7	0	0	110.7	N257 N260 D261 C281 E282 F311	E255-N257 PolarHBondContact O-N 2.88Å; E255-N260 VanDerWaalsContact CD-ND2 3.27Å; E255-N260 PolarHBondContact OE1-ND2 3.25Å; E255-N260 WeakPolarHBondContact OE2-CB 3.46Å; E255-N260 PolarHBondContact OE2-ND2 2.96Å; E255-N260 VanDerWaalsContact OE2-ND2 3.14Å; E255-D261 HydrophobicContact CB-CB 4.16Å; E255-C281 WeakPolarHBondContact O-CB 3.35Å; E255-E282 PolarHBondContact O-N 2.86Å; E255-F311 HydrophobicContact CB-CD2 4.19Å; E255-F311 HydrophobicContact CB-CE2 3.81Å; E255-F311 HydrophobicContact CG-CE2 4.12Å
256	E	76.2	Confident	87.4	Confident	126 Å²	126	28.4 Å²	28.4	59%	0.589	15%	0.146	S	C	*	.	S	Bend	trans	-68.5	-20.9	179.8	-66.3	165.8	-167.7	0	0	112.8	C281 E282 K678	E256-C281 PolarHBondContact O-SG 3.14Å; E256-E282 HydrophobicContact CB-CG 4.27Å; E256-E282 HydrophobicContact CG-CG 4.39Å; E256-K678 IonicContact OE1-NZ 3.58Å; E256-K678 PolarHBondContact OE1-NZ 3.01Å
257	N	78.3	Confident	87.3	Confident	75 Å²	75	26.5 Å²	26.5	40%	0.401	14%	0.137	S	C	.	.			trans	-95.2	102.9	-180	-174.1	-6.2	0	0	0	112.3	E255 S259 N260	E255-N257 PolarHBondContact O-N 2.88Å; N257-S259 PolarHBondContact O-N 2.87Å; N257-S259 WeakPolarHBondContact OD1-CB 3.28Å; N257-S259 PolarHBondContact OD1-N 3.03Å; N257-S259 PolarHBondContact OD1-OG 3.27Å; N257-S259 VanDerWaalsContact OD1-OG 3.11Å; N257-N260 WeakPolarHBondContact O-CB 3.48Å; N257-N260 PolarHBondContact O-N 2.84Å
258	C	79.6	Confident	87.2	Confident	29 Å²	29	26.5 Å²	26.5	20%	0.196	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-24.3	173.4	-82.3	0	0	0	0	114.5	R193 N260 E279 C281	R193-C258 PolarHBondContact NH1-O 3.1Å; C258-N260 PolarHBondContact O-N 3.16Å; C258-E279 WeakPolarHBondContact CB-OE1 3.19Å; C258-C281 WeakPolarHBondContact CA-SG 3.37Å; C258-C281 HydrophobicContact CB-CB 3.84Å; C258-C281 WeakPolarHBondContact CB-SG 3.32Å; C258-C281 PolarHBondContact N-SG 3.41Å; C258-C281 WeakPolarHBondContact SG-CB 3.42Å; C258-C281 CovalentContact SG-SG 2.03Å; C258-C281 PolarHBondContact SG-SG 2.93Å
259	S	80.9	Confident	87	Confident	68 Å²	68	23.5 Å²	23.5	48%	0.476	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.1	175.1	-53.9	0	0	0	0	113	R196 N257	R196-S259 PolarHBondContact NH1-O 3.18Å; R196-S259 PolarHBondContact NH2-O 2.86Å; N257-S259 PolarHBondContact O-N 2.87Å; N257-S259 WeakPolarHBondContact OD1-CB 3.28Å; N257-S259 PolarHBondContact OD1-N 3.03Å; N257-S259 PolarHBondContact OD1-OG 3.27Å; N257-S259 VanDerWaalsContact OD1-OG 3.11Å
260	N	82.4	Confident	86.9	Confident	41 Å²	41	23.6 Å²	23.6	22%	0.219	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-81.1	-178.3	-78.4	-17.3	0	0	0	110.4	R196 E255 N257 C258 N306	R196-N260 PolarHBondContact NH1-O 3.48Å; E255-N260 VanDerWaalsContact CD-ND2 3.27Å; E255-N260 PolarHBondContact OE1-ND2 3.25Å; E255-N260 WeakPolarHBondContact OE2-CB 3.46Å; E255-N260 PolarHBondContact OE2-ND2 2.96Å; E255-N260 VanDerWaalsContact OE2-ND2 3.14Å; N257-N260 WeakPolarHBondContact O-CB 3.48Å; N257-N260 PolarHBondContact O-N 2.84Å; C258-N260 PolarHBondContact O-N 3.16Å; N260-N306 WeakPolarHBondContact CB-ND2 3.47Å; N260-N306 PolarHBondContact ND2-ND2 3.25Å; N260-N306 PolarHBondContact OD1-ND2 3.39Å
261	D	86.8	Confident	87.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-113	125.2	-176.3	-71	5.9	0	0	0	108.8	Y227 L254 E255 G304 T305 N306	Y227-D261 WeakPolarHBondContact CE2-OD2 3.39Å; Y227-D261 PolarHBondContact OH-OD2 3.18Å; L254-D261 HydrophobicContact CD2-CB 4.38Å; E255-D261 HydrophobicContact CB-CB 4.16Å; D261-G304 WeakPolarHBondContact CA-O 3.45Å; D261-T305 WeakPolarHBondContact OD1-CA 3.33Å; D261-N306 PolarHBondContact OD1-N 2.92Å; D261-N306 PolarHBondContact OD1-OD1 2.77Å
262	F	91.3	Very high	87.4	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.5	-174.6	65.4	-85.9	0	0	0	111.4	R193 K264 M303 G304	R193-F262 HydrophobicContact CB-CE1 3.93Å; R193-F262 HydrophobicContact CB-CZ 4.12Å; F262-K264 HydrophobicContact CD2-CB 4.05Å; F262-K264 HydrophobicContact CE2-CB 4.38Å; F262-M303 VanDerWaalsContact O-CA 3.25Å; F262-M303 WeakPolarHBondContact O-CA 3.46Å; F262-G304 PolarHBondContact N-O 3Å; F262-G304 VanDerWaalsContact N-O 3.12Å; F262-G304 PolarHBondContact O-N 2.96Å
263	V	93.3	Very high	87.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.9	159.3	176.6	0	0	0	0	107.8	F249 M252 L254 L280 V301 T302 M303 F314	F249-V263 HydrophobicContact CE1-CG1 4.44Å; F249-V263 HydrophobicContact CZ-CG1 4.26Å; M252-V263 HydrophobicContact CE-CB 3.78Å; M252-V263 HydrophobicContact CE-CG2 3.7Å; L254-V263 HydrophobicContact CD1-CG2 4.33Å; L254-V263 HydrophobicContact CD2-CG2 3.84Å; V263-L280 HydrophobicContact CB-CB 4.46Å; V263-L280 PolarHBondContact N-O 2.73Å; V263-L280 PolarHBondContact O-N 3.07Å; V263-V301 HydrophobicContact CG1-CG1 3.67Å; V263-T302 CarbonylContact C-O 3.57Å; V263-T302 WeakPolarHBondContact CA-O 3.43Å; V263-M303 HydrophobicContact CG2-CB 4.15Å; V263-M303 HydrophobicContact CG2-CG 4.03Å; V263-M303 HydrophobicContact CG2-SD 4.28Å; V263-F314 HydrophobicContact CG1-CE1 4.4Å; V263-F314 HydrophobicContact CG2-CD1 3.63Å; V263-F314 HydrophobicContact CG2-CE1 3.66Å
264	K	93.6	Very high	87.1	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.9	177.3	-166.2	163.7	169.2	-173.2	0	110.9	F262 Y266 E273 E279 T302 Y429	F262-K264 HydrophobicContact CD2-CB 4.05Å; F262-K264 HydrophobicContact CE2-CB 4.38Å; K264-Y266 HydrophobicContact CB-CE2 4.02Å; K264-Y266 HydrophobicContact CD-CE2 4.49Å; K264-Y266 WeakPolarHBondContact CD-OH 3.24Å; K264-Y266 WeakPolarHBondContact CE-OH 3.48Å; K264-Y266 HydrophobicContact CG-CE1 4.47Å; K264-Y266 HydrophobicContact CG-CE2 3.85Å; K264-Y266 VanDerWaalsContact CG-OH 3.29Å; K264-Y266 WeakPolarHBondContact CG-OH 3.39Å; K264-E273 IonicContact NZ-OE1 3.58Å; K264-E273 PolarHBondContact NZ-OE1 3.41Å; K264-E273 IonicContact NZ-OE2 3.62Å; K264-E273 PolarHBondContact NZ-OE2 3.23Å; K264-E279 HydrophobicContact CB-CG 4.38Å; K264-E279 HydrophobicContact CD-CB 3.98Å; K264-E279 HydrophobicContact CD-CG 3.97Å; K264-E279 WeakPolarHBondContact CD-OE2 3.2Å; K264-E279 HydrophobicContact CG-CB 4.11Å; K264-E279 HydrophobicContact CG-CG 4.29Å; K264-E279 IonicContact NZ-OE2 3.36Å; K264-T302 PolarHBondContact N-O 2.88Å; K264-T302 PolarHBondContact O-N 3.45Å; K264-T302 PolarHBondContact O-OG1 2.96Å; K264-Y429 WeakPolarHBondContact CE-OH 3.46Å; K264-Y429 PolarHBondContact NZ-OH 3.48Å
265	I	95.6	Very high	87.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.4	-168.8	-52.9	166.1	0	0	0	108.8	L247 F249 A276 L277 E278 L280 F292 M299 L300	L247-I265 HydrophobicContact CD2-CD1 4.05Å; L247-I265 HydrophobicContact CD2-CG1 4.33Å; L247-I265 HydrophobicContact CD2-CG2 4.17Å; F249-I265 HydrophobicContact CE2-CD1 3.75Å; F249-I265 HydrophobicContact CZ-CD1 4Å; I265-A276 WeakPolarHBondContact O-CA 3.49Å; I265-L277 HydrophobicContact CB-CB 4.47Å; I265-L277 HydrophobicContact CG2-CB 4.42Å; I265-L277 HydrophobicContact CG2-CD1 4.16Å; I265-L277 PolarHBondContact O-N 3.38Å; I265-E278 PolarHBondContact N-O 3.32Å; I265-E278 VanDerWaalsContact N-O 3.11Å; I265-L280 HydrophobicContact CD1-CD1 3.92Å; I265-F292 HydrophobicContact CD1-CD1 4.24Å; I265-F292 HydrophobicContact CD1-CD2 3.55Å; I265-F292 HydrophobicContact CD1-CE1 4.25Å; I265-F292 HydrophobicContact CD1-CE2 3.56Å; I265-F292 HydrophobicContact CD1-CG 3.9Å; I265-F292 HydrophobicContact CD1-CZ 3.93Å; I265-M299 HydrophobicContact CG2-CG 4.01Å; I265-M299 HydrophobicContact CG2-SD 3.82Å; I265-L300 CarbonylContact C-O 3.54Å; I265-L300 WeakPolarHBondContact CA-O 3.46Å
266	Y	94.4	Very high	87.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.9	-177	-58.8	-92.7	0	0	0	113.7	M194 K264 S268 P271 I272 E273 R275 A276 M299 L300 T302	M194-Y266 HydrophobicContact CE-CE2 4.33Å; M194-Y266 WeakPolarHBondContact CE-OH 3.28Å; K264-Y266 HydrophobicContact CB-CE2 4.02Å; K264-Y266 HydrophobicContact CD-CE2 4.49Å; K264-Y266 WeakPolarHBondContact CD-OH 3.24Å; K264-Y266 WeakPolarHBondContact CE-OH 3.48Å; K264-Y266 HydrophobicContact CG-CE1 4.47Å; K264-Y266 HydrophobicContact CG-CE2 3.85Å; K264-Y266 VanDerWaalsContact CG-OH 3.29Å; K264-Y266 WeakPolarHBondContact CG-OH 3.39Å; Y266-S268 PolarHBondContact O-N 3.27Å; Y266-P271 HydrophobicContact CD1-CB 4.39Å; Y266-P271 HydrophobicContact CD2-CB 4.12Å; Y266-P271 HydrophobicContact CE1-CB 3.95Å; Y266-P271 HydrophobicContact CE2-CB 3.67Å; Y266-P271 HydrophobicContact CG-CB 4.48Å; Y266-I272 VanDerWaalsContact CD1-O 3.29Å; Y266-I272 WeakPolarHBondContact CD1-O 3.26Å; Y266-E273 PolarHBondContact OH-OE1 3Å; Y266-R275 CarbonylContact C-O 3.53Å; Y266-R275 WeakPolarHBondContact CA-O 3.36Å; Y266-A276 HydrophobicContact CD1-CB 4.02Å; Y266-A276 HydrophobicContact CE1-CB 3.78Å; Y266-M299 CarbonylContact O-C 3.5Å; Y266-M299 WeakPolarHBondContact O-CA 3.24Å; Y266-M299 WeakPolarHBondContact O-CG 3.26Å; Y266-L300 HydrophobicContact CD2-CD2 4.13Å; Y266-L300 HydrophobicContact CD2-CG 4.38Å; Y266-L300 PolarHBondContact N-O 3.04Å; Y266-L300 PolarHBondContact O-N 3.49Å; Y266-T302 HydrophobicContact CD2-CG2 4.33Å; Y266-T302 HydrophobicContact CE2-CG2 4.03Å
267	D	93.9	Very high	88.5	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.097	C	C	.	.	S	Bend	trans	-82	43.3	169.4	-169.6	48.4	0	0	0	112.4	R275 L277 S294 S295 H427	D267-R275 HydrophobicContact CB-CB 4.31Å; D267-R275 PolarHBondContact N-O 3.27Å; D267-R275 WeakPolarHBondContact O-CD 3.08Å; D267-R275 PolarHBondContact O-NH1 3.02Å; D267-R275 VanDerWaalsContact O-NH1 3.11Å; D267-L277 HydrophobicContact CB-CD1 4.46Å; D267-L277 HydrophobicContact CB-CD2 4.01Å; D267-L277 HydrophobicContact CB-CG 4.28Å; D267-S294 WeakPolarHBondContact OD1-CA 3.45Å; D267-S294 VanDerWaalsContact OD1-CB 3.22Å; D267-S294 WeakPolarHBondContact OD1-CB 3.48Å; D267-S295 PolarHBondContact OD1-N 3.48Å; D267-S295 PolarHBondContact OD1-OG 2.92Å; D267-S295 VanDerWaalsContact OD2-CB 3.29Å; D267-S295 WeakPolarHBondContact OD2-CB 3.41Å; D267-S295 PolarHBondContact OD2-OG 3.37Å; D267-H427 IonicContact OD2-ND1 2.64Å
268	S	92.1	Very high	89.2	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-164	164.6	178.6	41.4	0	0	0	0	110.6	Y140 Y266 V270 L300	Y140-S268 VanDerWaalsContact CE1-CB 3.49Å; Y266-S268 PolarHBondContact O-N 3.27Å; S268-V270 PolarHBondContact O-N 3.25Å; S268-V270 PolarHBondContact OG-O 2.95Å; S268-L300 WeakPolarHBondContact O-CB 3.45Å; S268-L300 PolarHBondContact O-N 3.24Å; S268-L300 VanDerWaalsContact O-N 3.13Å
269	L	90.6	Very high	89.7	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.086	C	C	.	.	S	Bend	trans	-81.3	-2.3	178.4	-64.4	172.3	0	0	0	113.8	A132 Y140 E236 R238 V298	A132-L269 HydrophobicContact CB-CB 3.97Å; A132-L269 HydrophobicContact CB-CD1 3.81Å; Y140-L269 HydrophobicContact CD2-CB 4.11Å; Y140-L269 HydrophobicContact CD2-CD1 4.27Å; Y140-L269 HydrophobicContact CE2-CB 4.21Å; Y140-L269 HydrophobicContact CE2-CD1 4.09Å; Y140-L269 HydrophobicContact CE2-CG 4.24Å; E236-L269 HydrophobicContact CB-CD2 4.36Å; R238-L269 HydrophobicContact CG-CD2 4.12Å; R238-L269 VanDerWaalsContact CZ-CD1 3.4Å; R238-L269 VanDerWaalsContact NH2-CD1 3.33Å; L269-V298 HydrophobicContact CD1-CB 4.47Å; L269-V298 HydrophobicContact CD1-CG1 3.97Å; L269-V298 HydrophobicContact CD2-CB 3.82Å; L269-V298 HydrophobicContact CD2-CG1 3.97Å; L269-V298 HydrophobicContact CG-CB 3.87Å; L269-V298 HydrophobicContact CG-CG1 3.93Å; L269-V298 HydrophobicContact CG-CG2 4.49Å
270	V	89.2	Confident	90.2	Very high	5 Å²	5	13 Å²	13	3%	0.03	6%	0.063	C	C	.	.	S	Bend	trans	-135.1	153.1	177.1	-61	0	0	0	0	108.6	I78 N131 Y140 S268 I272	I78-V270 HydrophobicContact CD1-CB 3.79Å; I78-V270 HydrophobicContact CD1-CG2 4.11Å; I78-V270 HydrophobicContact CG1-CB 4.19Å; I78-V270 HydrophobicContact CG1-CG2 3.97Å; N131-V270 HydrophobicContact CB-CG1 3.7Å; Y140-V270 HydrophobicContact CD1-CG2 3.7Å; Y140-V270 HydrophobicContact CG-CG1 4.47Å; Y140-V270 HydrophobicContact CG-CG2 4.08Å; S268-V270 PolarHBondContact O-N 3.25Å; S268-V270 PolarHBondContact OG-O 2.95Å; V270-I272 VanDerWaalsContact C-N 3.35Å; V270-I272 HydrophobicContact CG2-CD1 4.01Å; V270-I272 HydrophobicContact CG2-CG1 3.62Å; V270-I272 PolarHBondContact O-N 2.92Å
271	P	89.7	Confident	90.1	Very high	7 Å²	7	11.5 Å²	11.5	5%	0.045	6%	0.056	C	C	.	.			trans	-76.9	81.1	-174.7	30.6	-36.3	0	0	0	112	I78 I190 M194 Y266 L300	I78-P271 HydrophobicContact CD1-CG 3.93Å; I78-P271 VanDerWaalsContact CG2-O 3.25Å; I78-P271 WeakPolarHBondContact CG2-O 3.32Å; I190-P271 HydrophobicContact CD1-CG 4.36Å; M194-P271 HydrophobicContact CE-CB 3.66Å; M194-P271 HydrophobicContact CE-CG 4.33Å; M194-P271 HydrophobicContact SD-CB 3.46Å; M194-P271 WeakPolarHBondContact SD-CB 3.45Å; M194-P271 HydrophobicContact SD-CG 3.45Å; M194-P271 WeakPolarHBondContact SD-CG 3.36Å; Y266-P271 HydrophobicContact CD1-CB 4.39Å; Y266-P271 HydrophobicContact CD2-CB 4.12Å; Y266-P271 HydrophobicContact CE1-CB 3.95Å; Y266-P271 HydrophobicContact CE2-CB 3.67Å; Y266-P271 HydrophobicContact CG-CB 4.48Å; P271-L300 HydrophobicContact CB-CD2 4.15Å; P271-L300 HydrophobicContact CG-CD2 4.38Å
272	I	87.4	Confident	89.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.			trans	-91	122.6	173	-36.1	177.5	0	0	0	109	Y140 Y266 V270 N274 R275 A276	Y140-I272 HydrophobicContact CD1-CD1 4.12Å; Y140-I272 HydrophobicContact CE1-CD1 4.27Å; Y266-I272 VanDerWaalsContact CD1-O 3.29Å; Y266-I272 WeakPolarHBondContact CD1-O 3.26Å; V270-I272 VanDerWaalsContact C-N 3.35Å; V270-I272 HydrophobicContact CG2-CD1 4.01Å; V270-I272 HydrophobicContact CG2-CG1 3.62Å; V270-I272 PolarHBondContact O-N 2.92Å; I272-N274 VanDerWaalsContact C-N 3.28Å; I272-N274 WeakPolarHBondContact CG2-OD1 3.36Å; I272-N274 PolarHBondContact O-N 3.31Å; I272-R275 CarbonylContact O-C 3.5Å; I272-R275 WeakPolarHBondContact O-CA 3.46Å; I272-R275 PolarHBondContact O-N 3.27Å; I272-A276 PolarHBondContact O-N 2.58Å
273	E	84.3	Confident	88.9	Confident	53 Å²	53	20.8 Å²	20.8	25%	0.248	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-61	-33.2	-174.4	-72.6	-63.6	136.3	0	0	113.6	S188 K264 Y266 R275 A276	S188-E273 PolarHBondContact OG-N 2.78Å; K264-E273 IonicContact NZ-OE1 3.58Å; K264-E273 PolarHBondContact NZ-OE1 3.41Å; K264-E273 IonicContact NZ-OE2 3.62Å; K264-E273 PolarHBondContact NZ-OE2 3.23Å; Y266-E273 PolarHBondContact OH-OE1 3Å; E273-R275 PolarHBondContact O-N 3.48Å; E273-R275 VanDerWaalsContact O-N 3.16Å; E273-A276 WeakPolarHBondContact O-CB 3.3Å; E273-A276 PolarHBondContact O-N 2.96Å
274	N	81.8	Confident	88.2	Confident	54 Å²	54	22.7 Å²	22.7	29%	0.289	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-78.7	12.4	174.2	73.8	-8.3	0	0	0	114.3	I272	I272-N274 VanDerWaalsContact C-N 3.28Å; I272-N274 WeakPolarHBondContact CG2-OD1 3.36Å; I272-N274 PolarHBondContact O-N 3.31Å
275	R	89.1	Confident	86.8	Confident	29 Å²	29	24.9 Å²	24.9	11%	0.109	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-136	17	169.1	-63.1	-158.1	-171.2	-166.3	0.1	112.2	Y266 D267 I272 E273 H427	Y266-R275 CarbonylContact C-O 3.53Å; Y266-R275 WeakPolarHBondContact CA-O 3.36Å; D267-R275 HydrophobicContact CB-CB 4.31Å; D267-R275 PolarHBondContact N-O 3.27Å; D267-R275 WeakPolarHBondContact O-CD 3.08Å; D267-R275 PolarHBondContact O-NH1 3.02Å; D267-R275 VanDerWaalsContact O-NH1 3.11Å; I272-R275 CarbonylContact O-C 3.5Å; I272-R275 WeakPolarHBondContact O-CA 3.46Å; I272-R275 PolarHBondContact O-N 3.27Å; E273-R275 PolarHBondContact O-N 3.48Å; E273-R275 VanDerWaalsContact O-N 3.16Å; R275-H427 WeakPolarHBondContact CA-O 3.27Å
276	A	91.4	Very high	85.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130	166.7	0	0	0	0	0	108.3	I265 Y266 I272 E273 S428 Y429	I265-A276 WeakPolarHBondContact O-CA 3.49Å; Y266-A276 HydrophobicContact CD1-CB 4.02Å; Y266-A276 HydrophobicContact CE1-CB 3.78Å; I272-A276 PolarHBondContact O-N 2.58Å; E273-A276 WeakPolarHBondContact O-CB 3.3Å; E273-A276 PolarHBondContact O-N 2.96Å; A276-S428 CarbonylContact O-C 3.59Å; A276-Y429 HydrophobicContact CB-CD2 4.28Å; A276-Y429 HydrophobicContact CB-CE1 4.46Å; A276-Y429 HydrophobicContact CB-CE2 3.73Å; A276-Y429 VanDerWaalsContact O-CA 3.29Å; A276-Y429 WeakPolarHBondContact O-CA 3.43Å; A276-Y429 PolarHBondContact O-N 2.86Å
277	L	93	Very high	83.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-47.5	176.6	-64.6	-175.7	0	0	0	111	I265 D267 Y293 M299 P352 S428 Y429 V430	I265-L277 HydrophobicContact CB-CB 4.47Å; I265-L277 HydrophobicContact CG2-CB 4.42Å; I265-L277 HydrophobicContact CG2-CD1 4.16Å; I265-L277 PolarHBondContact O-N 3.38Å; D267-L277 HydrophobicContact CB-CD1 4.46Å; D267-L277 HydrophobicContact CB-CD2 4.01Å; D267-L277 HydrophobicContact CB-CG 4.28Å; L277-Y293 WeakPolarHBondContact CD1-O 3.5Å; L277-M299 HydrophobicContact CD1-CE 4.24Å; L277-P352 HydrophobicContact CD2-CB 3.73Å; L277-P352 HydrophobicContact CD2-CG 3.67Å; L277-S428 WeakPolarHBondContact CD2-O 3.37Å; L277-Y429 WeakPolarHBondContact O-CA 3.43Å; L277-V430 HydrophobicContact CB-CG2 4.22Å; L277-V430 HydrophobicContact CD2-CG1 4.34Å; L277-V430 PolarHBondContact O-N 3.32Å
278	E	92.1	Very high	82.6	Confident	40 Å²	40	38.4 Å²	38.4	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	151.8	175.8	-176.2	63.2	139.9	0	0	110.7	I265 L280 F292 Y349	I265-E278 PolarHBondContact N-O 3.32Å; I265-E278 VanDerWaalsContact N-O 3.11Å; E278-L280 HydrophobicContact CG-CD2 3.61Å; E278-L280 HydrophobicContact CG-CG 4.03Å; E278-F292 HydrophobicContact CB-CE1 3.64Å; E278-F292 HydrophobicContact CB-CZ 4.15Å; E278-F292 HydrophobicContact CG-CE1 4.11Å; E278-F292 HydrophobicContact CG-CZ 4.25Å; E278-Y349 HydrophobicContact CG-CE1 4.18Å; E278-Y349 WeakPolarHBondContact OE1-CE1 3.48Å; E278-Y349 PolarHBondContact OE1-OH 3.45Å
279	E	91.1	Very high	81.6	Confident	39 Å²	39	41 Å²	41	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	168.9	-172.4	173.8	143.9	0	0	110.1	R193 C258 K264	R193-E279 IonicContact CZ-OE1 2.97Å; R193-E279 VanDerWaalsContact CZ-OE1 3.27Å; R193-E279 IonicContact CZ-OE2 3.97Å; R193-E279 IonicContact NH1-OE1 3.15Å; R193-E279 PolarHBondContact NH1-OE1 3.43Å; R193-E279 IonicContact NH1-OE2 2.65Å; R193-E279 IonicContact NH2-OE1 3.14Å; R193-E279 PolarHBondContact NH2-OE1 3.13Å; R193-E279 IonicContact NH2-OE2 3.38Å; R193-E279 PolarHBondContact NH2-OE2 2.95Å; C258-E279 WeakPolarHBondContact CB-OE1 3.19Å; K264-E279 HydrophobicContact CB-CG 4.38Å; K264-E279 HydrophobicContact CD-CB 3.98Å; K264-E279 HydrophobicContact CD-CG 3.97Å; K264-E279 WeakPolarHBondContact CD-OE2 3.2Å; K264-E279 HydrophobicContact CG-CB 4.11Å; K264-E279 HydrophobicContact CG-CG 4.29Å; K264-E279 IonicContact NZ-OE2 3.36Å
280	L	90.3	Very high	81.5	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.9	-173.6	-60.9	174.3	0	0	0	110.9	F249 M252 V263 I265 E278 Y284 L290 F292	F249-L280 HydrophobicContact CE2-CD1 4.21Å; F249-L280 HydrophobicContact CZ-CD1 4.2Å; M252-L280 HydrophobicContact CE-CB 3.51Å; M252-L280 WeakPolarHBondContact CE-O 3.45Å; M252-L280 HydrophobicContact SD-CB 3.98Å; M252-L280 HydrophobicContact SD-CD1 4.05Å; V263-L280 HydrophobicContact CB-CB 4.46Å; V263-L280 PolarHBondContact N-O 2.73Å; V263-L280 PolarHBondContact O-N 3.07Å; I265-L280 HydrophobicContact CD1-CD1 3.92Å; E278-L280 HydrophobicContact CG-CD2 3.61Å; E278-L280 HydrophobicContact CG-CG 4.03Å; L280-Y284 HydrophobicContact CB-CE2 4.47Å; L280-Y284 HydrophobicContact CD2-CE2 4.14Å; L280-L290 HydrophobicContact CD1-CD1 3.91Å; L280-L290 HydrophobicContact CD2-CD1 3.98Å; L280-F292 HydrophobicContact CD1-CE2 3.92Å; L280-F292 HydrophobicContact CD1-CZ 3.95Å; L280-F292 HydrophobicContact CD2-CZ 4.29Å; L280-F292 HydrophobicContact CG-CZ 4.49Å
281	C	82.3	Confident	81.7	Confident	11 Å²	11	41 Å²	41	7%	0.074	22%	0.22	C	C	.	.			trans	-124.9	-167.6	160.4	48.8	0	0	0	0	108.2	E255 E256 C258 Y284	E255-C281 WeakPolarHBondContact O-CB 3.35Å; E256-C281 PolarHBondContact O-SG 3.14Å; C258-C281 WeakPolarHBondContact CA-SG 3.37Å; C258-C281 HydrophobicContact CB-CB 3.84Å; C258-C281 WeakPolarHBondContact CB-SG 3.32Å; C258-C281 PolarHBondContact N-SG 3.41Å; C258-C281 WeakPolarHBondContact SG-CB 3.42Å; C258-C281 CovalentContact SG-SG 2.03Å; C258-C281 PolarHBondContact SG-SG 2.93Å; C281-Y284 WeakPolarHBondContact O-CE2 3.47Å; C281-Y284 PolarHBondContact O-OH 3.42Å
282	E	79.7	Confident	81.9	Confident	96 Å²	96	40.8 Å²	40.8	45%	0.449	22%	0.218	S	C	.	.	S	Bend	trans	69	-166.6	-178.5	-46.1	174.8	-173	0	0	115.1	L254 E255 E256	L254-E282 PolarHBondContact N-O 3.29Å; E255-E282 PolarHBondContact O-N 2.86Å; E256-E282 HydrophobicContact CB-CG 4.27Å; E256-E282 HydrophobicContact CG-CG 4.39Å
283	H	72.9	Confident	82.3	Confident	98 Å²	98	42 Å²	42	45%	0.454	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.5	-176.1	172.5	38.5	0	0	0	112.2	M252 Y253	M252-H283 CarbonylContact O-C 3.54Å; M252-H283 WeakPolarHBondContact O-CA 3.26Å; M252-H283 PolarHBondContact O-ND1 3.21Å; Y253-H283 AromaticContact CD1-CE1 3.34Å; Y253-H283 WeakPolarHBondContact CD1-CE1 3.39Å; Y253-H283 AromaticContact CD1-CG 3.94Å; Y253-H283 AromaticContact CD1-ND1 3.18Å; Y253-H283 WeakPolarHBondContact CD1-ND1 3.38Å; Y253-H283 AromaticContact CE1-CE1 3.04Å; Y253-H283 WeakPolarHBondContact CE1-CE1 3.5Å; Y253-H283 AromaticContact CE1-ND1 3.45Å; Y253-H283 WeakPolarHBondContact CE1-ND1 3.26Å; Y253-H283 AromaticContact CE1-NE2 3.7Å; Y253-H283 AromaticContact CG-ND1 3.71Å; Y253-H283 AromaticContact CZ-CE1 3.62Å
284	Y	77.2	Confident	82.8	Confident	40 Å²	40	39.5 Å²	39.5	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.3	171.7	-55	-82.3	0	0	0	111.3	M252 L280 C281 L290	M252-Y284 HydrophobicContact CB-CD2 4.06Å; M252-Y284 HydrophobicContact CG-CD2 4.1Å; M252-Y284 PolarHBondContact N-O 2.9Å; M252-Y284 VanDerWaalsContact N-O 3.1Å; M252-Y284 PolarHBondContact O-N 2.98Å; M252-Y284 HydrophobicContact SD-CD2 3.98Å; M252-Y284 HydrophobicContact SD-CE2 4.26Å; L280-Y284 HydrophobicContact CB-CE2 4.47Å; L280-Y284 HydrophobicContact CD2-CE2 4.14Å; C281-Y284 WeakPolarHBondContact O-CE2 3.47Å; C281-Y284 PolarHBondContact O-OH 3.42Å; Y284-L290 HydrophobicContact CD1-CD1 3.89Å; Y284-L290 HydrophobicContact CD1-CD2 4.02Å; Y284-L290 HydrophobicContact CD1-CG 4.22Å; Y284-L290 HydrophobicContact CD2-CD1 3.67Å; Y284-L290 HydrophobicContact CE1-CD1 4.14Å; Y284-L290 HydrophobicContact CE1-CD2 4.33Å; Y284-L290 HydrophobicContact CE2-CD1 3.9Å; Y284-L290 HydrophobicContact CG-CD1 3.65Å; Y284-L290 HydrophobicContact CG-CD2 4.48Å; Y284-L290 HydrophobicContact CG-CG 4.18Å
285	S	65	Low	83.3	Confident	48 Å²	48	38.7 Å²	38.7	34%	0.336	21%	0.209	S	C	.	.			trans	-83.5	149.6	178	167.4	0	0	0	0	111.4	S287 E288	S285-S287 WeakPolarHBondContact CB-OG 3.33Å; S285-S287 PolarHBondContact O-N 2.89Å; S285-S287 PolarHBondContact OG-N 2.78Å; S285-S287 PolarHBondContact OG-OG 2.85Å; S285-E288 PolarHBondContact O-N 3.06Å
286	P	65.4	Low	83.4	Confident	81 Å²	81	38.3 Å²	38.3	53%	0.526	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.9	170.9	-22.6	29.8	0	0	0	115.9	D250 A251 E288	D250-P286 WeakPolarHBondContact O-CA 2.99Å; D250-P286 WeakPolarHBondContact O-CB 3.3Å; D250-P286 WeakPolarHBondContact O-CG 3.49Å; A251-P286 HydrophobicContact CB-CG 4.13Å; P286-E288 VanDerWaalsContact C-N 3.26Å
287	S	64	Low	83.4	Confident	92 Å²	92	39 Å²	39	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.1	172.5	54.8	0	0	0	0	114	S285	S285-S287 WeakPolarHBondContact CB-OG 3.33Å; S285-S287 PolarHBondContact O-N 2.89Å; S285-S287 PolarHBondContact OG-N 2.78Å; S285-S287 PolarHBondContact OG-OG 2.85Å
288	E	65.9	Low	83.4	Confident	112 Å²	112	39.3 Å²	39.3	52%	0.523	22%	0.22	S	C	.	.	S	Bend	trans	-130.7	72	179.2	-64.9	-174.1	-159.9	0	0	109.7	S285 P286 L290	S285-E288 PolarHBondContact O-N 3.06Å; P286-E288 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 2.7Å; E288-L290 VanDerWaalsContact O-N 3.16Å
289	P	70.8	Confident	83.6	Confident	55 Å²	55	37.4 Å²	37.4	36%	0.357	21%	0.211	S	C	.	.			trans	-69.7	111.6	-171.6	27.6	-35	0	0	0	111.6	T291 N348	P289-T291 PolarHBondContact O-N 2.8Å; P289-N348 PolarHBondContact O-ND2 3.08Å; P289-N348 PolarHBondContact O-OD1 2.68Å
290	L	88.9	Confident	83.8	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.203	C	C	.	.			trans	-71.2	124.4	177.5	-52.8	-178.2	0	0	0	110.1	E248 F249 L280 Y284 E288 F292 Y349	E248-L290 CarbonylContact C-O 3.52Å; E248-L290 WeakPolarHBondContact CA-O 3.33Å; F249-L290 HydrophobicContact CB-CB 4.25Å; F249-L290 HydrophobicContact CD2-CB 4.21Å; F249-L290 PolarHBondContact N-O 3.47Å; L280-L290 HydrophobicContact CD1-CD1 3.91Å; L280-L290 HydrophobicContact CD2-CD1 3.98Å; Y284-L290 HydrophobicContact CD1-CD1 3.89Å; Y284-L290 HydrophobicContact CD1-CD2 4.02Å; Y284-L290 HydrophobicContact CD1-CG 4.22Å; Y284-L290 HydrophobicContact CD2-CD1 3.67Å; Y284-L290 HydrophobicContact CE1-CD1 4.14Å; Y284-L290 HydrophobicContact CE1-CD2 4.33Å; Y284-L290 HydrophobicContact CE2-CD1 3.9Å; Y284-L290 HydrophobicContact CG-CD1 3.65Å; Y284-L290 HydrophobicContact CG-CD2 4.48Å; Y284-L290 HydrophobicContact CG-CG 4.18Å; E288-L290 PolarHBondContact O-N 2.7Å; E288-L290 VanDerWaalsContact O-N 3.16Å; L290-F292 HydrophobicContact CB-CE2 3.8Å; L290-F292 HydrophobicContact CB-CZ 4.37Å; L290-F292 HydrophobicContact CD1-CE2 4.5Å; L290-Y349 HydrophobicContact CD2-CE2 4.36Å
291	T	92.8	Very high	84.1	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.9	179.7	-58.8	0	0	0	0	110.4	K246 L247 P289 Y293 N345	K246-T291 HydrophobicContact CD-CG2 4.39Å; K246-T291 VanDerWaalsContact CE-CG2 3.41Å; K246-T291 HydrophobicContact CG-CG2 4.1Å; L247-T291 CarbonylContact O-C 3.59Å; L247-T291 WeakPolarHBondContact O-CA 3.19Å; P289-T291 PolarHBondContact O-N 2.8Å; T291-Y293 HydrophobicContact CG2-CD2 4.47Å; T291-Y293 HydrophobicContact CG2-CE2 3.78Å; T291-N345 PolarHBondContact O-ND2 2.77Å; T291-N345 VanDerWaalsContact O-ND2 3.1Å
292	F	94.9	Very high	84.6	Confident	2 Å²	2	35 Å²	35	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.6	178.7	-58.3	-87.1	0	0	0	110.9	L247 F249 I265 E278 L280 L290 Y349	L247-F292 PolarHBondContact N-O 2.91Å; L247-F292 PolarHBondContact O-N 3.34Å; F249-F292 HydrophobicContact CD2-CD2 4.11Å; F249-F292 AromaticContact CD2-CE2 3.97Å; F249-F292 HydrophobicContact CD2-CE2 3.97Å; F249-F292 AromaticContact CE2-CD2 3.84Å; F249-F292 HydrophobicContact CE2-CD2 3.84Å; F249-F292 AromaticContact CE2-CE2 3.79Å; F249-F292 HydrophobicContact CE2-CE2 3.79Å; I265-F292 HydrophobicContact CD1-CD1 4.24Å; I265-F292 HydrophobicContact CD1-CD2 3.55Å; I265-F292 HydrophobicContact CD1-CE1 4.25Å; I265-F292 HydrophobicContact CD1-CE2 3.56Å; I265-F292 HydrophobicContact CD1-CG 3.9Å; I265-F292 HydrophobicContact CD1-CZ 3.93Å; E278-F292 HydrophobicContact CB-CE1 3.64Å; E278-F292 HydrophobicContact CB-CZ 4.15Å; E278-F292 HydrophobicContact CG-CE1 4.11Å; E278-F292 HydrophobicContact CG-CZ 4.25Å; L280-F292 HydrophobicContact CD1-CE2 3.92Å; L280-F292 HydrophobicContact CD1-CZ 3.95Å; L280-F292 HydrophobicContact CD2-CZ 4.29Å; L280-F292 HydrophobicContact CG-CZ 4.49Å; L290-F292 HydrophobicContact CB-CE2 3.8Å; L290-F292 HydrophobicContact CB-CZ 4.37Å; L290-F292 HydrophobicContact CD1-CE2 4.5Å; F292-Y349 HydrophobicContact CD1-CD2 4.12Å; F292-Y349 HydrophobicContact CD1-CG 4.03Å; F292-Y349 HydrophobicContact CE1-CD1 4.01Å; F292-Y349 AromaticContact CE1-CD2 3.38Å; F292-Y349 HydrophobicContact CE1-CD2 3.38Å; F292-Y349 HydrophobicContact CE1-CE1 4.29Å; F292-Y349 AromaticContact CE1-CE2 3.75Å; F292-Y349 HydrophobicContact CE1-CE2 3.75Å; F292-Y349 AromaticContact CE1-CG 3.53Å; F292-Y349 HydrophobicContact CE1-CG 3.53Å; F292-Y349 AromaticContact CZ-CD2 3.62Å; F292-Y349 HydrophobicContact CZ-CD2 3.62Å; F292-Y349 AromaticContact CZ-CE2 3.68Å; F292-Y349 HydrophobicContact CZ-CE2 3.68Å; F292-Y349 HydrophobicContact CZ-CG 4.25Å
293	Y	94.8	Very high	85.2	Confident	27 Å²	27	30.7 Å²	30.7	11%	0.106	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.6	173.5	-66.9	-87.9	0	0	0	109.6	I244 I245 K246 L277 T291 V321 L326 N345 P351 P352	I244-Y293 HydrophobicContact CG2-CD1 4.09Å; I245-Y293 WeakPolarHBondContact O-CA 3.48Å; K246-Y293 HydrophobicContact CB-CD1 3.92Å; K246-Y293 HydrophobicContact CB-CE1 3.63Å; K246-Y293 HydrophobicContact CD-CE1 3.91Å; K246-Y293 HydrophobicContact CG-CD1 4.11Å; K246-Y293 HydrophobicContact CG-CE1 3.52Å; L277-Y293 WeakPolarHBondContact CD1-O 3.5Å; T291-Y293 HydrophobicContact CG2-CD2 4.47Å; T291-Y293 HydrophobicContact CG2-CE2 3.78Å; Y293-V321 HydrophobicContact CD1-CG2 4.12Å; Y293-V321 HydrophobicContact CE1-CG2 3.96Å; Y293-L326 HydrophobicContact CD1-CD1 3.93Å; Y293-L326 HydrophobicContact CD1-CD2 4.11Å; Y293-L326 HydrophobicContact CD2-CD2 4.41Å; Y293-L326 HydrophobicContact CE1-CD1 4.47Å; Y293-L326 HydrophobicContact CE1-CD2 3.9Å; Y293-L326 HydrophobicContact CE2-CD2 4.23Å; Y293-L326 HydrophobicContact CG-CD1 4.16Å; Y293-L326 HydrophobicContact CG-CD2 4.36Å; Y293-N345 HydrophobicContact CE2-CB 4.06Å; Y293-P351 HydrophobicContact CD2-CG 4.05Å; Y293-P351 HydrophobicContact CG-CG 4.18Å; Y293-P352 WeakPolarHBondContact O-CD 3.49Å
294	S	94.9	Very high	86.1	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.			trans	-89.2	168.2	167.9	48.6	0	0	0	0	111.5	I244 I245 D267 G296 V298	I244-S294 WeakPolarHBondContact CG2-O 3.21Å; I245-S294 WeakPolarHBondContact CB-OG 3.08Å; I245-S294 PolarHBondContact N-OG 3.27Å; I245-S294 PolarHBondContact O-N 3.32Å; I245-S294 VanDerWaalsContact O-N 3.09Å; I245-S294 PolarHBondContact O-OG 2.84Å; D267-S294 WeakPolarHBondContact OD1-CA 3.45Å; D267-S294 VanDerWaalsContact OD1-CB 3.22Å; D267-S294 WeakPolarHBondContact OD1-CB 3.48Å; S294-G296 VanDerWaalsContact C-N 3.35Å; S294-G296 WeakPolarHBondContact CB-O 3.22Å; S294-G296 PolarHBondContact OG-O 3.38Å; S294-V298 VanDerWaalsContact CB-O 3.29Å; S294-V298 WeakPolarHBondContact CB-O 3.44Å
295	S	92.1	Very high	86.7	Confident	36 Å²	36	24.1 Å²	24.1	25%	0.252	15%	0.15	S	C	.	.	S	Bend	trans	-82.3	-16.4	172.8	75	0	0	0	0	113	D267	D267-S295 PolarHBondContact OD1-N 3.48Å; D267-S295 PolarHBondContact OD1-OG 2.92Å; D267-S295 VanDerWaalsContact OD2-CB 3.29Å; D267-S295 WeakPolarHBondContact OD2-CB 3.41Å; D267-S295 PolarHBondContact OD2-OG 3.37Å
296	G	91.4	Very high	87.6	Confident	21 Å²	21	22.4 Å²	22.4	22%	0.216	14%	0.137	C	C	.	.	S	Bend	trans	-147.6	-157.5	176.5	0	0	0	0	0	112.3	S243 I244 I245 S294 V298	S243-G296 CarbonylContact O-C 3.53Å; S243-G296 VanDerWaalsContact O-C 3.23Å; I244-G296 WeakPolarHBondContact CA-O 3.24Å; I245-G296 PolarHBondContact N-O 2.86Å; S294-G296 VanDerWaalsContact C-N 3.35Å; S294-G296 WeakPolarHBondContact CB-O 3.22Å; S294-G296 PolarHBondContact OG-O 3.38Å; G296-V298 PolarHBondContact O-N 2.83Å
297	N	91.6	Very high	88.3	Confident	14 Å²	14	23.3 Å²	23.3	8%	0.075	14%	0.137	C	C	.	.	S	Bend	trans	-85.3	18	-172.3	70	-59.6	0	0	0	114.3	E135 R238 G239 D240 S243	E135-N297 PolarHBondContact OE1-ND2 3.02Å; E135-N297 PolarHBondContact OE2-ND2 2.92Å; E135-N297 PolarHBondContact OE2-OD1 3.47Å; R238-N297 CarbonylContact C-O 3.54Å; R238-N297 WeakPolarHBondContact CA-O 3.24Å; G239-N297 PolarHBondContact N-O 3.06Å; G239-N297 PolarHBondContact O-ND2 3Å; D240-N297 WeakPolarHBondContact O-CB 3.07Å; S243-N297 WeakPolarHBondContact O-CA 3.49Å; S243-N297 WeakPolarHBondContact O-CB 3.07Å; S243-N297 PolarHBondContact O-N 3.14Å; S243-N297 VanDerWaalsContact O-N 3.13Å
298	V	93.4	Very high	88.8	Confident	7 Å²	7	24.5 Å²	24.5	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.5	-177.9	-62.5	0	0	0	0	111.8	L237 R238 L269 S294 G296	L237-V298 WeakPolarHBondContact O-CA 3.31Å; R238-V298 HydrophobicContact CG-CG1 4.48Å; L269-V298 HydrophobicContact CD1-CB 4.47Å; L269-V298 HydrophobicContact CD1-CG1 3.97Å; L269-V298 HydrophobicContact CD2-CB 3.82Å; L269-V298 HydrophobicContact CD2-CG1 3.97Å; L269-V298 HydrophobicContact CG-CB 3.87Å; L269-V298 HydrophobicContact CG-CG1 3.93Å; L269-V298 HydrophobicContact CG-CG2 4.49Å; S294-V298 VanDerWaalsContact CB-O 3.29Å; S294-V298 WeakPolarHBondContact CB-O 3.44Å; G296-V298 PolarHBondContact O-N 2.83Å
299	M	95.8	Very high	89.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.7	173.6	-174.9	-177.4	-73.2	0	0	109.5	L237 I245 L247 I265 Y266 L277	L237-M299 WeakPolarHBondContact CA-O 3.45Å; L237-M299 HydrophobicContact CB-CB 4.26Å; L237-M299 WeakPolarHBondContact CB-O 3.25Å; L237-M299 HydrophobicContact CD1-CB 4.35Å; L237-M299 HydrophobicContact CD1-CG 4.45Å; L237-M299 HydrophobicContact CD1-SD 4.28Å; L237-M299 PolarHBondContact N-O 3.28Å; L237-M299 PolarHBondContact O-N 2.03Å; I245-M299 HydrophobicContact CB-CB 4.23Å; I245-M299 HydrophobicContact CB-CE 4.32Å; I245-M299 HydrophobicContact CG1-CB 4.34Å; I245-M299 HydrophobicContact CG2-CB 4.25Å; I245-M299 HydrophobicContact CG2-CE 4.37Å; I245-M299 HydrophobicContact CG2-SD 4.33Å; L247-M299 HydrophobicContact CB-CE 4.34Å; L247-M299 HydrophobicContact CB-SD 3.7Å; L247-M299 HydrophobicContact CD2-SD 3.76Å; L247-M299 HydrophobicContact CG-SD 4.36Å; I265-M299 HydrophobicContact CG2-CG 4.01Å; I265-M299 HydrophobicContact CG2-SD 3.82Å; Y266-M299 CarbonylContact O-C 3.5Å; Y266-M299 WeakPolarHBondContact O-CA 3.24Å; Y266-M299 WeakPolarHBondContact O-CG 3.26Å; L277-M299 HydrophobicContact CD1-CE 4.24Å
300	L	95.4	Very high	89.5	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.3	171.3	171.8	74.1	0	0	0	109.3	Q234 E236 I265 Y266 S268 P271 T302	Q234-L300 HydrophobicContact CB-CD1 4.15Å; E236-L300 HydrophobicContact CG-CD1 3.96Å; I265-L300 CarbonylContact C-O 3.54Å; I265-L300 WeakPolarHBondContact CA-O 3.46Å; Y266-L300 HydrophobicContact CD2-CD2 4.13Å; Y266-L300 HydrophobicContact CD2-CG 4.38Å; Y266-L300 PolarHBondContact N-O 3.04Å; Y266-L300 PolarHBondContact O-N 3.49Å; S268-L300 WeakPolarHBondContact O-CB 3.45Å; S268-L300 PolarHBondContact O-N 3.24Å; S268-L300 VanDerWaalsContact O-N 3.13Å; P271-L300 HydrophobicContact CB-CD2 4.15Å; P271-L300 HydrophobicContact CG-CD2 4.38Å; L300-T302 HydrophobicContact CD1-CG2 4.21Å; L300-T302 HydrophobicContact CD2-CG2 3.61Å; L300-T302 HydrophobicContact CG-CG2 3.72Å
301	V	96.6	Very high	89.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.1	165.5	-174.8	0	0	0	0	107.8	I217 Q234 W235 L237 L247 V263 F314	I217-V301 HydrophobicContact CD1-CG2 4.36Å; Q234-V301 WeakPolarHBondContact CA-O 3.46Å; W235-V301 HydrophobicContact CB-CB 4.37Å; W235-V301 HydrophobicContact CE3-CB 4.13Å; W235-V301 HydrophobicContact CE3-CG1 4.03Å; W235-V301 HydrophobicContact CZ3-CG1 4.39Å; W235-V301 PolarHBondContact N-O 2.8Å; W235-V301 PolarHBondContact O-N 2.82Å; L237-V301 HydrophobicContact CD1-CG2 4Å; L247-V301 HydrophobicContact CD1-CG2 4.46Å; L247-V301 HydrophobicContact CD2-CG2 3.55Å; V263-V301 HydrophobicContact CG1-CG1 3.67Å; V301-F314 HydrophobicContact CG1-CZ 4.11Å
302	T	94.1	Very high	88.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.7	174.2	62.9	0	0	0	0	109.9	F232 T233 Q234 V263 K264 Y266 L300	F232-T302 HydrophobicContact CZ-CG2 4.37Å; T233-T302 CarbonylContact O-C 3.56Å; T233-T302 WeakPolarHBondContact O-CA 3.36Å; Q234-T302 HydrophobicContact CG-CG2 4.22Å; V263-T302 CarbonylContact C-O 3.57Å; V263-T302 WeakPolarHBondContact CA-O 3.43Å; K264-T302 PolarHBondContact N-O 2.88Å; K264-T302 PolarHBondContact O-N 3.45Å; K264-T302 PolarHBondContact O-OG1 2.96Å; Y266-T302 HydrophobicContact CD2-CG2 4.33Å; Y266-T302 HydrophobicContact CE2-CG2 4.03Å; L300-T302 HydrophobicContact CD1-CG2 4.21Å; L300-T302 HydrophobicContact CD2-CG2 3.61Å; L300-T302 HydrophobicContact CG-CG2 3.72Å
303	M	92.3	Very high	88.6	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.6	170.5	-179	176	-179.8	0	0	109.7	T219 Y227 F232 T233 W235 L254 F262 V263 T305 F314	T219-M303 HydrophobicContact CG2-CE 4.03Å; T219-M303 HydrophobicContact CG2-SD 3.42Å; T219-M303 WeakPolarHBondContact CG2-SD 3.36Å; Y227-M303 HydrophobicContact CD1-CE 3.45Å; Y227-M303 VanDerWaalsContact CD1-CE 3.45Å; Y227-M303 HydrophobicContact CD2-CE 4.27Å; Y227-M303 HydrophobicContact CE1-CE 3.61Å; Y227-M303 HydrophobicContact CE2-CE 4.38Å; Y227-M303 HydrophobicContact CG-CE 3.81Å; F232-M303 CarbonylContact C-O 3.54Å; F232-M303 WeakPolarHBondContact CA-O 3.32Å; F232-M303 WeakPolarHBondContact CD2-O 3.41Å; T233-M303 PolarHBondContact N-O 2.88Å; T233-M303 PolarHBondContact O-N 2.78Å; W235-M303 HydrophobicContact CH2-CB 4.21Å; W235-M303 HydrophobicContact CZ3-CB 3.84Å; L254-M303 HydrophobicContact CD1-CE 4.37Å; L254-M303 HydrophobicContact CD2-CE 4.06Å; L254-M303 HydrophobicContact CG-CE 4.17Å; F262-M303 VanDerWaalsContact O-CA 3.25Å; F262-M303 WeakPolarHBondContact O-CA 3.46Å; V263-M303 HydrophobicContact CG2-CB 4.15Å; V263-M303 HydrophobicContact CG2-CG 4.03Å; V263-M303 HydrophobicContact CG2-SD 4.28Å; M303-T305 HydrophobicContact CE-CG2 3.63Å; M303-T305 HydrophobicContact CG-CG2 4.35Å; M303-F314 HydrophobicContact CB-CE1 4.4Å; M303-F314 HydrophobicContact SD-CD1 4Å; M303-F314 HydrophobicContact SD-CE1 3.82Å
304	G	90.6	Very high	88.5	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.5	171.8	0	0	0	0	0	111	D261 F262	D261-G304 WeakPolarHBondContact CA-O 3.45Å; F262-G304 PolarHBondContact N-O 3Å; F262-G304 VanDerWaalsContact N-O 3.12Å; F262-G304 PolarHBondContact O-N 2.96Å
305	T	89.3	Confident	88.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.			trans	-126.9	150.4	178.3	69.4	0	0	0	0	112.8	Y199 Y227 K228 N230 T231 D261 M303	Y199-T305 WeakPolarHBondContact CE1-O 3.07Å; Y227-T305 HydrophobicContact CD2-CG2 3.48Å; Y227-T305 VanDerWaalsContact CD2-CG2 3.48Å; Y227-T305 HydrophobicContact CE2-CG2 3.54Å; Y227-T305 HydrophobicContact CG-CG2 4.18Å; K228-T305 PolarHBondContact O-OG1 3.43Å; N230-T305 VanDerWaalsContact CA-O 3.3Å; N230-T305 WeakPolarHBondContact CA-O 3.37Å; N230-T305 PolarHBondContact N-O 2.87Å; N230-T305 PolarHBondContact N-OG1 2.89Å; T231-T305 PolarHBondContact N-OG1 2.93Å; T231-T305 PolarHBondContact O-N 2.97Å; T231-T305 PolarHBondContact O-OG1 2.62Å; T231-T305 PolarHBondContact OG1-OG1 2.91Å; D261-T305 WeakPolarHBondContact OD1-CA 3.33Å; M303-T305 HydrophobicContact CE-CG2 3.63Å; M303-T305 HydrophobicContact CG-CG2 4.35Å
306	N	84.9	Confident	88.4	Confident	12 Å²	12	32.6 Å²	32.6	6%	0.064	16%	0.155	C	C	.	.			trans	-99	-165.3	-179.6	77.8	8.4	0	0	0	112.8	P229 N230 N260 D261 K308	P229-N306 CarbonylContact C-O 3.41Å; P229-N306 WeakPolarHBondContact CA-O 3.27Å; P229-N306 WeakPolarHBondContact CB-O 3.37Å; N230-N306 PolarHBondContact N-O 3.24Å; N260-N306 WeakPolarHBondContact CB-ND2 3.47Å; N260-N306 PolarHBondContact ND2-ND2 3.25Å; N260-N306 PolarHBondContact OD1-ND2 3.39Å; D261-N306 PolarHBondContact OD1-N 2.92Å; D261-N306 PolarHBondContact OD1-OD1 2.77Å; N306-K308 WeakPolarHBondContact OD1-CA 3.43Å; N306-K308 PolarHBondContact OD1-N 2.79Å; N306-K308 PolarHBondContact OD1-O 3.22Å; N306-K308 VanDerWaalsContact OD1-O 3.12Å
307	D	79.9	Confident	88.6	Confident	100 Å²	100	34 Å²	34	54%	0.535	16%	0.156	S	C	.	.	S	Bend	trans	-89.1	3	-179.5	70.9	-38.9	0	0	0	115	N230	N230-D307 WeakPolarHBondContact ND2-CB 3.35Å; N230-D307 PolarHBondContact OD1-N 3.46Å
308	K	75.5	Confident	88.8	Confident	117 Å²	117	33.3 Å²	33.3	51%	0.509	15%	0.152	S	C	.	.	S	Bend	trans	-126.7	176.1	-169.6	-69.1	165.4	-168.2	172	0	111	N306 N310	N306-K308 WeakPolarHBondContact OD1-CA 3.43Å; N306-K308 PolarHBondContact OD1-N 2.79Å; N306-K308 PolarHBondContact OD1-O 3.22Å; N306-K308 VanDerWaalsContact OD1-O 3.12Å; K308-N310 PolarHBondContact O-N 3.43Å; K308-N310 PolarHBondContact O-ND2 2.78Å; K308-N310 VanDerWaalsContact O-ND2 3.12Å
309	Y	70.8	Confident	88.9	Confident	172 Å²	172	34.2 Å²	34.2	68%	0.675	16%	0.159	S	C	*	.			trans	17.8	71.9	170.3	-53.9	-66.8	0	0	0	117.8	F311	Y309-F311 WeakPolarHBondContact O-CD2 3.49Å; Y309-F311 VanDerWaalsContact O-CE2 3.28Å; Y309-F311 WeakPolarHBondContact O-CE2 3.45Å
310	N	78.8	Confident	88.8	Confident	46 Å²	46	35.4 Å²	35.4	25%	0.246	17%	0.165	C	C	.	.			trans	-83.3	127.5	179.1	-62.4	-99.5	0	0	0	111.3	S226 Y227 P229 K308	S226-N310 WeakPolarHBondContact CB-O 3.46Å; Y227-N310 HydrophobicContact CD2-CB 4.02Å; Y227-N310 VanDerWaalsContact CD2-OD1 3.29Å; Y227-N310 WeakPolarHBondContact CD2-OD1 3.24Å; Y227-N310 HydrophobicContact CE2-CB 3.82Å; Y227-N310 WeakPolarHBondContact CE2-OD1 3.12Å; Y227-N310 PolarHBondContact O-OD1 2.88Å; P229-N310 VanDerWaalsContact CA-OD1 3.26Å; P229-N310 WeakPolarHBondContact CA-OD1 3.06Å; P229-N310 VanDerWaalsContact N-OD1 3.07Å; K308-N310 PolarHBondContact O-N 3.43Å; K308-N310 PolarHBondContact O-ND2 2.78Å; K308-N310 VanDerWaalsContact O-ND2 3.12Å
311	F	84.3	Confident	88.7	Confident	81 Å²	81	36.6 Å²	36.6	36%	0.355	17%	0.172	S	C	.	.			trans	-100.7	175.2	176.4	-68.8	-92.9	0	0	0	111.7	S226 Y227 Y253 E255 Y309 G313	S226-F311 WeakPolarHBondContact CA-O 3Å; S226-F311 WeakPolarHBondContact CB-O 3.36Å; Y227-F311 WeakPolarHBondContact CD1-O 3.31Å; Y227-F311 HydrophobicContact CE1-CB 3.98Å; Y227-F311 WeakPolarHBondContact CE1-O 3.21Å; Y227-F311 VanDerWaalsContact CZ-N 3.3Å; Y227-F311 PolarHBondContact N-O 2.89Å; Y227-F311 VanDerWaalsContact N-O 3.09Å; Y227-F311 PolarHBondContact OH-N 2.89Å; Y253-F311 WeakPolarHBondContact O-CB 3.39Å; E255-F311 HydrophobicContact CB-CD2 4.19Å; E255-F311 HydrophobicContact CB-CE2 3.81Å; E255-F311 HydrophobicContact CG-CE2 4.12Å; Y309-F311 WeakPolarHBondContact O-CD2 3.49Å; Y309-F311 VanDerWaalsContact O-CE2 3.28Å; Y309-F311 WeakPolarHBondContact O-CE2 3.45Å; F311-G313 PolarHBondContact O-N 3.1Å
312	P	86.1	Confident	88.4	Confident	39 Å²	39	40.4 Å²	40.4	25%	0.253	20%	0.197	S	C	.	.			trans	-55.3	-29.7	175.3	-29.8	37.2	0	0	0	114.7	T219 F222 Y253	T219-P312 PolarHBondContact OG1-O 3.38Å; F222-P312 HydrophobicContact CD2-CB 4.2Å; F222-P312 WeakPolarHBondContact CD2-O 3.19Å; F222-P312 HydrophobicContact CE2-CB 4.2Å; Y253-P312 HydrophobicContact CD2-CB 4.33Å; Y253-P312 HydrophobicContact CG-CB 4.44Å; Y253-P312 HydrophobicContact CG-CG 4.4Å
313	G	88.5	Confident	87.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.2	-143.9	-174.4	0	0	0	0	0	112	T219 F222 Y253 F311	T219-G313 WeakPolarHBondContact OG1-CA 3.16Å; F222-G313 WeakPolarHBondContact CE2-O 3.45Å; Y253-G313 PolarHBondContact N-O 3.36Å; Y253-G313 VanDerWaalsContact O-CA 3.29Å; Y253-G313 WeakPolarHBondContact O-CA 3.31Å; Y253-G313 PolarHBondContact O-N 2.64Å; F311-G313 PolarHBondContact O-N 3.1Å
314	F	91.9	Very high	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.6	-172.9	76.9	-92.1	0	0	0	113.2	I217 E218 T219 W235 F249 A251 M252 V263 V301 M303 A316	I217-F314 HydrophobicContact CD1-CE2 4.11Å; I217-F314 HydrophobicContact CG1-CE2 4.2Å; E218-F314 VanDerWaalsContact CA-O 3.32Å; E218-F314 WeakPolarHBondContact CA-O 3.46Å; T219-F314 HydrophobicContact CG2-CD1 3.63Å; T219-F314 HydrophobicContact CG2-CE1 3.88Å; T219-F314 HydrophobicContact CG2-CG 4.34Å; T219-F314 PolarHBondContact N-O 3.48Å; T219-F314 PolarHBondContact OG1-N 3.4Å; T219-F314 VanDerWaalsContact OG1-N 3.13Å; T219-F314 PolarHBondContact OG1-O 3.5Å; W235-F314 HydrophobicContact CE3-CZ 4.14Å; W235-F314 AromaticContact CH2-CE1 3.65Å; W235-F314 HydrophobicContact CH2-CE1 3.65Å; W235-F314 AromaticContact CH2-CZ 3.53Å; W235-F314 HydrophobicContact CH2-CZ 3.53Å; W235-F314 HydrophobicContact CZ2-CZ 4.09Å; W235-F314 AromaticContact CZ3-CE1 3.82Å; W235-F314 HydrophobicContact CZ3-CE1 3.82Å; W235-F314 AromaticContact CZ3-CZ 3.57Å; W235-F314 HydrophobicContact CZ3-CZ 3.57Å; F249-F314 HydrophobicContact CD1-CB 4.24Å; F249-F314 AromaticContact CD1-CD2 3.79Å; F249-F314 HydrophobicContact CD1-CD2 3.79Å; F249-F314 HydrophobicContact CD1-CG 4.25Å; F249-F314 HydrophobicContact CE1-CB 4.37Å; F249-F314 AromaticContact CE1-CD2 3.49Å; F249-F314 HydrophobicContact CE1-CD2 3.49Å; F249-F314 VanDerWaalsContact CE1-CD2 3.49Å; F249-F314 AromaticContact CE1-CE2 3.86Å; F249-F314 HydrophobicContact CE1-CE2 3.86Å; F249-F314 AromaticContact CE1-CG 3.95Å; F249-F314 HydrophobicContact CE1-CG 3.95Å; A251-F314 WeakPolarHBondContact O-CA 3.35Å; M252-F314 HydrophobicContact CB-CB 4Å; M252-F314 HydrophobicContact CG-CB 3.97Å; V263-F314 HydrophobicContact CG1-CE1 4.4Å; V263-F314 HydrophobicContact CG2-CD1 3.63Å; V263-F314 HydrophobicContact CG2-CE1 3.66Å; V301-F314 HydrophobicContact CG1-CZ 4.11Å; M303-F314 HydrophobicContact CB-CE1 4.4Å; M303-F314 HydrophobicContact SD-CD1 4Å; M303-F314 HydrophobicContact SD-CE1 3.82Å; F314-A316 HydrophobicContact CD2-CB 4.25Å; F314-A316 HydrophobicContact CE2-CB 4.31Å
315	R	91.8	Very high	87.2	Confident	71 Å²	71	51.9 Å²	51.9	27%	0.268	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.2	165.5	-176.3	174.2	80.7	-136.8	-9.1	109.7	R216 I217 E218 F222 D250 A251	R216-R315 HydrophobicContact CG-CG 3.97Å; I217-R315 WeakPolarHBondContact O-CA 3.27Å; E218-R315 HydrophobicContact CB-CB 4.12Å; E218-R315 HydrophobicContact CB-CG 4.01Å; E218-R315 WeakPolarHBondContact OE2-CD 3.38Å; F222-R315 HydrophobicContact CD1-CB 3.72Å; F222-R315 HydrophobicContact CE1-CB 3.57Å; F222-R315 HydrophobicContact CG-CB 4.4Å; F222-R315 HydrophobicContact CZ-CB 4.14Å; D250-R315 PolarHBondContact N-O 3.16Å; D250-R315 IonicContact OD2-CZ 3.08Å; D250-R315 IonicContact OD2-NE 3.45Å; D250-R315 PolarHBondContact OD2-NE 2.77Å; D250-R315 IonicContact OD2-NH2 3.63Å; D250-R315 PolarHBondContact OD2-NH2 2.96Å; A251-R315 PolarHBondContact O-N 2.87Å
316	A	93.9	Very high	86.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.6	179.3	0	0	0	0	0	111.8	I217 L247 E248 F249 F314	I217-A316 HydrophobicContact CD1-CB 4.32Å; I217-A316 HydrophobicContact CG1-CB 3.91Å; I217-A316 PolarHBondContact N-O 2.9Å; I217-A316 PolarHBondContact O-N 3.48Å; L247-A316 HydrophobicContact CD1-CB 3.71Å; E248-A316 CarbonylContact O-C 3.42Å; E248-A316 WeakPolarHBondContact O-CA 3.48Å; E248-A316 WeakPolarHBondContact O-CB 3.13Å; F249-A316 HydrophobicContact CD1-CB 3.9Å; F249-A316 HydrophobicContact CD2-CB 4.47Å; F249-A316 HydrophobicContact CE1-CB 4.22Å; F249-A316 HydrophobicContact CG-CB 4.04Å; F314-A316 HydrophobicContact CD2-CB 4.25Å; F314-A316 HydrophobicContact CE2-CB 4.31Å
317	H	94.7	Very high	86.6	Confident	49 Å²	49	59.1 Å²	59.1	23%	0.227	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135	176	-70.8	109	0	0	0	109.9	I214 V215 E248 D250	I214-H317 HydrophobicContact CG2-CB 3.76Å; V215-H317 WeakPolarHBondContact O-CA 3.48Å; E248-H317 PolarHBondContact N-O 2.95Å; E248-H317 PolarHBondContact O-N 3.17Å; D250-H317 IonicContact OD1-CE1 2.67Å; D250-H317 PolarHBondContact OD1-CE1 3.35Å; D250-H317 IonicContact OD1-CG 2.68Å; D250-H317 IonicContact OD1-ND1 3.84Å; D250-H317 PolarHBondContact OD1-ND1 2.81Å; D250-H317 IonicContact OD2-CE1 2.82Å; D250-H317 PolarHBondContact OD2-CE1 2.95Å; D250-H317 IonicContact OD2-ND1 2.62Å
318	V	96.5	Very high	86.6	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.3	-178.2	-175.9	0	0	0	0	108.2	T209 I214 V215 I217 L237 I245 K246 L247	T209-V318 HydrophobicContact CG2-CG1 4.37Å; I214-V318 WeakPolarHBondContact CA-O 3.41Å; V215-V318 PolarHBondContact N-O 2.91Å; V215-V318 PolarHBondContact O-N 2.82Å; I217-V318 HydrophobicContact CD1-CG2 4.09Å; I217-V318 HydrophobicContact CG1-CG2 4.19Å; I217-V318 HydrophobicContact CG2-CG2 4.29Å; L237-V318 HydrophobicContact CB-CG1 4.45Å; L237-V318 HydrophobicContact CD1-CG1 3.94Å; L237-V318 HydrophobicContact CD1-CG2 3.77Å; L237-V318 HydrophobicContact CD2-CG1 4.32Å; L237-V318 HydrophobicContact CD2-CG2 4.07Å; L237-V318 HydrophobicContact CG-CG1 4.47Å; I245-V318 HydrophobicContact CG2-CG1 3.8Å; K246-V318 WeakPolarHBondContact O-CA 3.35Å; L247-V318 HydrophobicContact CD1-CG2 3.87Å
319	S	95.4	Very high	86.8	Confident	26 Å²	26	58.9 Å²	58.9	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.7	176.3	57.8	0	0	0	0	109.7	K246	K246-S319 PolarHBondContact N-O 2.75Å; K246-S319 PolarHBondContact O-N 2.89Å
320	Q	94.4	Very high	87.4	Confident	25 Å²	25	50.8 Å²	50.8	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.7	173.5	61.4	174.5	12.9	0	0	112.7	T209 P211 D240 S243 I244	T209-Q320 HydrophobicContact CG2-CB 3.89Å; T209-Q320 HydrophobicContact CG2-CG 4.19Å; T209-Q320 PolarHBondContact O-OE1 2.64Å; P211-Q320 VanDerWaalsContact CG-NE2 3.32Å; D240-Q320 PolarHBondContact OD2-NE2 3.23Å; S243-Q320 PolarHBondContact OG-OE1 3.31Å; S243-Q320 VanDerWaalsContact OG-OE1 3.05Å; I244-Q320 CarbonylContact O-C 3.59Å; I244-Q320 VanDerWaalsContact O-CA 3.29Å; I244-Q320 WeakPolarHBondContact O-CA 3.43Å
321	V	92.2	Very high	87.7	Confident	27 Å²	27	50.2 Å²	50.2	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.7	-179.2	-60.2	0	0	0	0	111.6	I244 K246 Y293	I244-V321 HydrophobicContact CB-CG2 3.99Å; I244-V321 HydrophobicContact CG2-CG2 4.06Å; I244-V321 PolarHBondContact N-O 2.72Å; I244-V321 PolarHBondContact O-N 3.43Å; K246-V321 HydrophobicContact CB-CG1 4.23Å; Y293-V321 HydrophobicContact CD1-CG2 4.12Å; Y293-V321 HydrophobicContact CE1-CG2 3.96Å
322	P	90.4	Very high	87.9	Confident	80 Å²	80	49 Å²	49	52%	0.519	26%	0.258	S	S	.	.			trans	-67.6	138.8	172.2	-21.5	33.4	0	0	0	112.3	E324 T325	P322-E324 PolarHBondContact O-N 2.85Å; P322-T325 VanDerWaalsContact O-CB 3.29Å; P322-T325 WeakPolarHBondContact O-CB 3.46Å; P322-T325 PolarHBondContact O-N 2.93Å; P322-T325 VanDerWaalsContact O-N 3.07Å; P322-T325 PolarHBondContact O-OG1 2.97Å
323	P	84.3	Confident	88.2	Confident	46 Å²	46	52.6 Å²	52.6	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-30.7	179.2	-25	32.2	0	0	0	114.8	G242 I244 T325 L326 R327	G242-P323 WeakPolarHBondContact O-CD 3.21Å; G242-P323 WeakPolarHBondContact O-CG 3.3Å; I244-P323 HydrophobicContact CD1-CB 3.94Å; I244-P323 HydrophobicContact CD1-CG 4.14Å; I244-P323 HydrophobicContact CG1-CG 4.19Å; P323-T325 PolarHBondContact O-N 3.37Å; P323-L326 PolarHBondContact O-N 3.3Å; P323-R327 PolarHBondContact O-N 3.2Å
324	E	82.9	Confident	88.4	Confident	120 Å²	120	54 Å²	54	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-61.6	-29.5	177.5	-66.5	-167.2	-173.9	0	0	113	P322 L326 R327 K328	P322-E324 PolarHBondContact O-N 2.85Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.75Å; E324-R327 PolarHBondContact O-N 3.33Å; E324-K328 HydrophobicContact CB-CD 4.46Å; E324-K328 VanDerWaalsContact O-CB 3.31Å; E324-K328 WeakPolarHBondContact O-CB 3.19Å; E324-K328 VanDerWaalsContact O-CG 3.25Å; E324-K328 WeakPolarHBondContact O-CG 3.48Å; E324-K328 PolarHBondContact O-N 3.09Å; E324-K328 WeakPolarHBondContact OE2-CE 3.11Å; E324-K328 IonicContact OE2-NZ 3.55Å; E324-K328 PolarHBondContact OE2-NZ 3.47Å
325	T	84.9	Confident	88.4	Confident	78 Å²	78	58.7 Å²	58.7	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-42.9	-178.5	-52.5	0	0	0	0	111	P322 P323 S329	P322-T325 VanDerWaalsContact O-CB 3.29Å; P322-T325 WeakPolarHBondContact O-CB 3.46Å; P322-T325 PolarHBondContact O-N 2.93Å; P322-T325 VanDerWaalsContact O-N 3.07Å; P322-T325 PolarHBondContact O-OG1 2.97Å; P323-T325 PolarHBondContact O-N 3.37Å; T325-S329 PolarHBondContact O-N 2.03Å
326	L	83.8	Confident	88.3	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-71.5	-44.3	179.7	-62.9	174.3	0	0	0	111.4	I244 Y293 P323 E324 K328 S329 P351 I354	I244-L326 HydrophobicContact CD1-CD1 3.8Å; I244-L326 HydrophobicContact CG2-CD1 4.17Å; Y293-L326 HydrophobicContact CD1-CD1 3.93Å; Y293-L326 HydrophobicContact CD1-CD2 4.11Å; Y293-L326 HydrophobicContact CD2-CD2 4.41Å; Y293-L326 HydrophobicContact CE1-CD1 4.47Å; Y293-L326 HydrophobicContact CE1-CD2 3.9Å; Y293-L326 HydrophobicContact CE2-CD2 4.23Å; Y293-L326 HydrophobicContact CG-CD1 4.16Å; Y293-L326 HydrophobicContact CG-CD2 4.36Å; P323-L326 PolarHBondContact O-N 3.3Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.75Å; L326-K328 PolarHBondContact O-N 3.07Å; L326-S329 WeakPolarHBondContact O-CB 3.46Å; L326-S329 PolarHBondContact O-N 3.38Å; L326-S329 VanDerWaalsContact O-N 3.14Å; L326-S329 PolarHBondContact O-OG 2.86Å; L326-P351 HydrophobicContact CD1-CB 4.23Å; L326-P351 HydrophobicContact CD1-CG 3.85Å; L326-P351 HydrophobicContact CD2-CG 4.15Å; L326-P351 HydrophobicContact CG-CG 4.45Å; L326-I354 HydrophobicContact CB-CD1 3.76Å
327	R	78.3	Confident	88.1	Confident	153 Å²	153	60.4 Å²	60.4	58%	0.577	33%	0.333	S	S	*	.	H	α-helix	trans	-63.3	-42.7	177.7	-71	-175.4	179.7	149.8	3.5	112.8	P323 E324 S329 C330 S331	P323-R327 PolarHBondContact O-N 3.2Å; E324-R327 PolarHBondContact O-N 3.33Å; R327-S329 PolarHBondContact O-N 2.04Å; R327-C330 PolarHBondContact O-N 2.86Å; R327-S331 PolarHBondContact O-N 3.08Å
328	K	79.8	Confident	88.1	Confident	141 Å²	141	65.2 Å²	65.2	61%	0.613	35%	0.353	S	S	*	.	H	α-helix	trans	-66.3	-20.7	175.7	-70.9	171.1	-172	166.6	0	113.2	E324 L326	E324-K328 HydrophobicContact CB-CD 4.46Å; E324-K328 VanDerWaalsContact O-CB 3.31Å; E324-K328 WeakPolarHBondContact O-CB 3.19Å; E324-K328 VanDerWaalsContact O-CG 3.25Å; E324-K328 WeakPolarHBondContact O-CG 3.48Å; E324-K328 PolarHBondContact O-N 3.09Å; E324-K328 WeakPolarHBondContact OE2-CE 3.11Å; E324-K328 IonicContact OE2-NZ 3.55Å; E324-K328 PolarHBondContact OE2-NZ 3.47Å; L326-K328 PolarHBondContact O-N 3.07Å
329	S	79.2	Confident	87.9	Confident	72 Å²	72	66 Å²	66	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-73.9	-25.4	178.9	78.2	0	0	0	0	113.6	T325 L326 R327	T325-S329 PolarHBondContact O-N 2.03Å; L326-S329 WeakPolarHBondContact O-CB 3.46Å; L326-S329 PolarHBondContact O-N 3.38Å; L326-S329 VanDerWaalsContact O-N 3.14Å; L326-S329 PolarHBondContact O-OG 2.86Å; R327-S329 PolarHBondContact O-N 2.04Å
330	C	84.1	Confident	87.8	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.007	38%	0.377	C	S	.	.	H	α-helix	trans	-112.6	-53.6	-179.6	58	0	0	0	0	113.4	R327 T332 P344 C356 W358	R327-C330 PolarHBondContact O-N 2.86Å; C330-T332 PolarHBondContact O-N 2.96Å; C330-T332 VanDerWaalsContact O-N 3.08Å; C330-T332 PolarHBondContact O-OG1 3.24Å; C330-P344 HydrophobicContact CB-CG 3.81Å; C330-C356 HydrophobicContact CB-CB 3.58Å; C330-C356 WeakPolarHBondContact CB-SG 2.98Å; C330-C356 WeakPolarHBondContact SG-CB 2.97Å; C330-C356 CovalentContact SG-SG 2.03Å; C330-C356 PolarHBondContact SG-SG 2.85Å; C330-W358 HydrophobicContact CB-CH2 4.47Å; C330-W358 HydrophobicContact CB-CZ2 3.77Å; C330-W358 PolarHBondContact O-NE1 3.22Å
331	S	84.6	Confident	87.7	Confident	34 Å²	34	68.2 Å²	68.2	24%	0.238	37%	0.374	C	S	.	.			trans	-69.6	109.7	-167.6	-66.6	0	0	0	0	112.2	R327 C356 D357	R327-S331 PolarHBondContact O-N 3.08Å; S331-C356 WeakPolarHBondContact OG-CA 3.29Å; S331-D357 CarbonylContact C-O 3.56Å; S331-D357 WeakPolarHBondContact CA-O 3.09Å; S331-D357 VanDerWaalsContact CB-OD1 3.28Å; S331-D357 WeakPolarHBondContact CB-OD1 3.42Å; S331-D357 PolarHBondContact OG-N 3.02Å; S331-D357 PolarHBondContact OG-OD1 3Å
332	T	87.7	Confident	87.7	Confident	57 Å²	57	68.6 Å²	68.6	35%	0.35	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.8	-169.9	47.7	0	0	0	0	112.8	C330 D357 W358 E359	C330-T332 PolarHBondContact O-N 2.96Å; C330-T332 VanDerWaalsContact O-N 3.08Å; C330-T332 PolarHBondContact O-OG1 3.24Å; T332-D357 PolarHBondContact N-O 3.34Å; T332-W358 WeakPolarHBondContact O-CA 3.06Å; T332-E359 PolarHBondContact O-N 3.22Å
333	K	92.2	Very high	87.8	Confident	114 Å²	114	64.9 Å²	64.9	50%	0.496	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122	167.4	-177.4	163.5	-175.9	164.3	0	110	T335 E359 E361	K333-T335 HydrophobicContact CG-CG2 4.5Å; K333-E359 CarbonylContact C-O 3.57Å; K333-E359 WeakPolarHBondContact CA-O 3.39Å; K333-E359 HydrophobicContact CB-CB 4.44Å; K333-E359 HydrophobicContact CD-CB 4.46Å; K333-E359 HydrophobicContact CG-CB 4.13Å; K333-E359 IonicContact NZ-OE2 2.7Å; K333-E361 VanDerWaalsContact CE-OE2 3.29Å; K333-E361 WeakPolarHBondContact CE-OE2 3.32Å; K333-E361 IonicContact NZ-OE2 2.76Å; K333-E361 PolarHBondContact NZ-OE2 2.64Å
334	L	92.7	Very high	88.1	Confident	29 Å²	29	62.8 Å²	62.8	15%	0.152	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.4	-173.6	-60.2	174	0	0	0	109.9	F341 E359 I360 E361 Y438	L334-F341 HydrophobicContact CD1-CB 3.97Å; L334-F341 HydrophobicContact CD1-CD1 3.79Å; L334-F341 HydrophobicContact CD1-CG 4.06Å; L334-E359 PolarHBondContact N-O 2.92Å; L334-I360 HydrophobicContact CB-CG1 4.33Å; L334-I360 HydrophobicContact CD1-CG1 4.23Å; L334-I360 CarbonylContact O-C 3.56Å; L334-I360 WeakPolarHBondContact O-CA 3.47Å; L334-E361 PolarHBondContact O-N 3.02Å; L334-Y438 HydrophobicContact CB-CE1 3.76Å; L334-Y438 HydrophobicContact CD1-CD1 4.25Å; L334-Y438 HydrophobicContact CD1-CE1 3.94Å; L334-Y438 HydrophobicContact CG-CE1 4.34Å
335	T	92.5	Very high	88.3	Confident	98 Å²	98	59.1 Å²	59.1	60%	0.601	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	-179.9	59.7	0	0	0	0	111.2	K333 E361	K333-T335 HydrophobicContact CG-CG2 4.5Å; T335-E361 WeakPolarHBondContact CA-O 3.4Å; T335-E361 HydrophobicContact CG2-CB 4.38Å
336	G	90.7	Very high	88.4	Confident	28 Å²	28	58.2 Å²	58.2	29%	0.289	32%	0.315	S	S	.	.	S	Bend	trans	150	-175.2	176.5	0	0	0	0	0	113.2	E361 V362	G336-E361 PolarHBondContact N-O 3.11Å; G336-V362 WeakPolarHBondContact O-CG1 3.48Å
337	S	89.4	Confident	88.5	Confident	80 Å²	80	61.6 Å²	61.6	56%	0.559	34%	0.337	S	S	*	.	S	Bend	trans	-87.6	-15	175.3	53.6	0	0	0	0	114	E439 A440	S337-E439 CarbonylContact O-C 3.5Å; S337-E439 WeakPolarHBondContact O-CA 3.33Å; S337-A440 WeakPolarHBondContact O-CB 3.49Å; S337-A440 PolarHBondContact O-N 3.32Å
338	K	94	Very high	89	Confident	149 Å²	149	55.4 Å²	55.4	65%	0.648	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.1	146.9	179.4	165.9	175.2	172.9	171	0	109.9	Y438	K338-Y438 CarbonylContact C-O 3.59Å; K338-Y438 VanDerWaalsContact CA-O 3.25Å; K338-Y438 WeakPolarHBondContact CA-O 3.36Å
339	G	92.2	Very high	89.6	Confident	17 Å²	17	49.2 Å²	49.2	18%	0.175	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	-174.9	165.4	0	0	0	0	0	113	E437 Y438	G339-E437 CarbonylContact O-C 3.6Å; G339-E437 WeakPolarHBondContact O-CA 3.33Å; G339-Y438 PolarHBondContact N-O 2.93Å; G339-Y438 PolarHBondContact O-N 2.66Å
340	T	92.8	Very high	90.3	Very high	85 Å²	85	45.9 Å²	45.9	52%	0.521	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.2	-176.6	53	0	0	0	0	110.8	A436 E437	T340-A436 WeakPolarHBondContact CA-O 3.27Å; T340-E437 HydrophobicContact CG2-CB 3.92Å
341	F	92.4	Very high	90.7	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161.2	175.1	60.5	-80.6	0	0	0	110.4	L334 W358 I360 V370 L421 F434 A436 Y438	L334-F341 HydrophobicContact CD1-CB 3.97Å; L334-F341 HydrophobicContact CD1-CD1 3.79Å; L334-F341 HydrophobicContact CD1-CG 4.06Å; F341-W358 AromaticContact CD2-CD1 3.99Å; F341-W358 AromaticContact CD2-CD2 3.62Å; F341-W358 HydrophobicContact CD2-CD2 3.62Å; F341-W358 AromaticContact CD2-CE2 3.6Å; F341-W358 HydrophobicContact CD2-CE3 4.15Å; F341-W358 AromaticContact CD2-CG 3.87Å; F341-W358 HydrophobicContact CD2-CG 3.87Å; F341-W358 HydrophobicContact CD2-CZ2 4.09Å; F341-W358 AromaticContact CD2-NE1 3.82Å; F341-W358 HydrophobicContact CE2-CD2 4.01Å; F341-W358 HydrophobicContact CE2-CE3 4.15Å; F341-W358 HydrophobicContact CE2-CG 4.29Å; F341-W358 HydrophobicContact CG-CD2 4.45Å; F341-W358 HydrophobicContact CG-CG 4.3Å; F341-I360 HydrophobicContact CE1-CD1 3.81Å; F341-I360 HydrophobicContact CZ-CD1 4.24Å; F341-V370 HydrophobicContact CE1-CG1 4.24Å; F341-V370 HydrophobicContact CE1-CG2 4.46Å; F341-V370 HydrophobicContact CZ-CG1 3.85Å; F341-V370 HydrophobicContact CZ-CG2 4.45Å; F341-L421 HydrophobicContact CE2-CD2 4.18Å; F341-L421 HydrophobicContact CZ-CD1 4.17Å; F341-L421 HydrophobicContact CZ-CD2 3.9Å; F341-F434 HydrophobicContact CD2-CE2 4.36Å; F341-F434 HydrophobicContact CE2-CE2 4.14Å; F341-A436 HydrophobicContact CD1-CB 4.43Å; F341-A436 HydrophobicContact CD2-CB 4.38Å; F341-A436 HydrophobicContact CE1-CB 3.9Å; F341-A436 HydrophobicContact CE2-CB 3.87Å; F341-A436 HydrophobicContact CZ-CB 3.6Å; F341-A436 PolarHBondContact N-O 3.13Å; F341-A436 PolarHBondContact O-N 2.9Å; F341-A436 VanDerWaalsContact O-O 3.1Å; F341-Y438 HydrophobicContact CD1-CD1 4.35Å; F341-Y438 HydrophobicContact CE1-CD1 4.47Å
342	S	92.2	Very high	91.1	Very high	36 Å²	36	44.4 Å²	44.4	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.7	-177.5	58.2	0	0	0	0	111.6	W358 F434	S342-W358 WeakPolarHBondContact O-CZ2 3.43Å; S342-F434 CarbonylContact C-O 3.56Å; S342-F434 WeakPolarHBondContact CA-O 3.38Å; S342-F434 WeakPolarHBondContact CB-O 3.3Å
343	T	92.2	Very high	91.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	26%	0.259	C	S	.	.			trans	-56.9	154.4	165.4	46.3	0	0	0	0	111.2	F346 F423 F434	T343-F346 WeakPolarHBondContact O-CB 2.98Å; T343-F346 PolarHBondContact O-N 2.73Å; T343-F423 HydrophobicContact CG2-CD1 3.97Å; T343-F423 HydrophobicContact CG2-CE1 3.88Å; T343-F423 HydrophobicContact CG2-CG 4.37Å; T343-F423 HydrophobicContact CG2-CZ 4.2Å; T343-F434 HydrophobicContact CG2-CD1 3.47Å; T343-F434 VanDerWaalsContact CG2-CD1 3.47Å; T343-F434 HydrophobicContact CG2-CE1 3.3Å; T343-F434 HydrophobicContact CG2-CE2 4.46Å; T343-F434 HydrophobicContact CG2-CG 4.11Å; T343-F434 HydrophobicContact CG2-CZ 3.85Å; T343-F434 PolarHBondContact N-O 2.95Å; T343-F434 PolarHBondContact OG1-N 2.8Å; T343-F434 PolarHBondContact OG1-O 2.89Å
344	P	90.6	Very high	91.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.013	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	144.6	168.3	-24.3	34.5	0	0	0	110.5	C330 F346 P351 I354 C356	C330-P344 HydrophobicContact CB-CG 3.81Å; P344-F346 PolarHBondContact O-N 2.57Å; P344-P351 HydrophobicContact CB-CG 4.29Å; P344-I354 HydrophobicContact CG-CD1 3.93Å; P344-C356 VanDerWaalsContact CG-SG 3.56Å
345	N	88.4	Confident	91.3	Very high	43 Å²	43	44 Å²	44	23%	0.23	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-2.2	176.2	-158.4	42.9	0	0	0	116.8	T291 Y293 N348 Y349	T291-N345 PolarHBondContact O-ND2 2.77Å; T291-N345 VanDerWaalsContact O-ND2 3.1Å; Y293-N345 HydrophobicContact CE2-CB 4.06Å; N345-N348 CarbonylContact C-O 3.54Å; N345-N348 VanDerWaalsContact ND2-CB 3.32Å; N345-N348 WeakPolarHBondContact ND2-CB 3.47Å; N345-N348 WeakPolarHBondContact O-CA 3.36Å; N345-N348 WeakPolarHBondContact O-CB 3.45Å; N345-N348 PolarHBondContact O-N 3.39Å; N345-Y349 WeakPolarHBondContact CB-O 3.39Å; N345-Y349 PolarHBondContact ND2-O 3.04Å
346	F	87.6	Confident	91.3	Very high	59 Å²	59	39.3 Å²	39.3	26%	0.259	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	131.6	177.1	-176.4	-87.6	0	0	0	111.8	T343 P344 R432 Q435	T343-F346 WeakPolarHBondContact O-CB 2.98Å; T343-F346 PolarHBondContact O-N 2.73Å; P344-F346 PolarHBondContact O-N 2.57Å; F346-R432 VanDerWaalsContact CD2-O 3.32Å; F346-R432 WeakPolarHBondContact CD2-O 3.19Å; F346-Q435 HydrophobicContact CD1-CB 3.98Å; F346-Q435 HydrophobicContact CE1-CB 3.59Å; F346-Q435 HydrophobicContact CE1-CG 4.48Å; F346-Q435 HydrophobicContact CE2-CB 4.24Å; F346-Q435 HydrophobicContact CG-CB 4.47Å; F346-Q435 HydrophobicContact CZ-CB 3.74Å
347	P	86.1	Confident	91.4	Very high	81 Å²	81	41.6 Å²	41.6	53%	0.526	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.3	15.6	13.7	38.6	-38.5	0	0	0	115.8
348	N	88.2	Confident	91.7	Very high	23 Å²	23	38 Å²	38	12%	0.123	20%	0.202	C	C	.	.	S	Bend	trans	-91.2	171.2	170.6	-77.2	-32.3	0	0	0	111.6	P289 N345	P289-N348 PolarHBondContact O-ND2 3.08Å; P289-N348 PolarHBondContact O-OD1 2.68Å; N345-N348 CarbonylContact C-O 3.54Å; N345-N348 VanDerWaalsContact ND2-CB 3.32Å; N345-N348 WeakPolarHBondContact ND2-CB 3.47Å; N345-N348 WeakPolarHBondContact O-CA 3.36Å; N345-N348 WeakPolarHBondContact O-CB 3.45Å; N345-N348 PolarHBondContact O-N 3.39Å
349	Y	92	Very high	91.7	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.047	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-54.6	133.6	-176	-65.8	-89.7	0	0	0	113.4	E278 L290 F292 N345 V430 D431	E278-Y349 HydrophobicContact CG-CE1 4.18Å; E278-Y349 WeakPolarHBondContact OE1-CE1 3.48Å; E278-Y349 PolarHBondContact OE1-OH 3.45Å; L290-Y349 HydrophobicContact CD2-CE2 4.36Å; F292-Y349 HydrophobicContact CD1-CD2 4.12Å; F292-Y349 HydrophobicContact CD1-CG 4.03Å; F292-Y349 HydrophobicContact CE1-CD1 4.01Å; F292-Y349 AromaticContact CE1-CD2 3.38Å; F292-Y349 HydrophobicContact CE1-CD2 3.38Å; F292-Y349 HydrophobicContact CE1-CE1 4.29Å; F292-Y349 AromaticContact CE1-CE2 3.75Å; F292-Y349 HydrophobicContact CE1-CE2 3.75Å; F292-Y349 AromaticContact CE1-CG 3.53Å; F292-Y349 HydrophobicContact CE1-CG 3.53Å; F292-Y349 AromaticContact CZ-CD2 3.62Å; F292-Y349 HydrophobicContact CZ-CD2 3.62Å; F292-Y349 AromaticContact CZ-CE2 3.68Å; F292-Y349 HydrophobicContact CZ-CE2 3.68Å; F292-Y349 HydrophobicContact CZ-CG 4.25Å; N345-Y349 WeakPolarHBondContact CB-O 3.39Å; N345-Y349 PolarHBondContact ND2-O 3.04Å; Y349-V430 HydrophobicContact CD1-CG2 4.06Å; Y349-V430 WeakPolarHBondContact CD1-O 3.49Å; Y349-V430 WeakPolarHBondContact CE1-O 3.41Å; Y349-V430 HydrophobicContact CG-CG2 4.45Å; Y349-D431 VanDerWaalsContact CA-O 3.29Å; Y349-D431 WeakPolarHBondContact CA-O 3.47Å
350	Y	93.2	Very high	91.9	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-75.1	157.2	175.1	55	-98.4	0	0	0	111.5	L377 D391 F423 V430 D431	Y350-L377 HydrophobicContact CD1-CD2 4.2Å; Y350-L377 HydrophobicContact CE1-CD2 3.43Å; Y350-L377 VanDerWaalsContact CE1-CD2 3.43Å; Y350-D391 WeakPolarHBondContact CE2-OD2 3.3Å; Y350-D391 PolarHBondContact OH-OD2 3.34Å; Y350-F423 HydrophobicContact CD1-CZ 4.17Å; Y350-F423 HydrophobicContact CD2-CE1 4.16Å; Y350-F423 AromaticContact CD2-CZ 3.77Å; Y350-F423 HydrophobicContact CD2-CZ 3.77Å; Y350-F423 HydrophobicContact CE1-CZ 4.31Å; Y350-F423 AromaticContact CE2-CZ 3.91Å; Y350-F423 HydrophobicContact CE2-CZ 3.91Å; Y350-F423 HydrophobicContact CG-CE1 4.18Å; Y350-F423 AromaticContact CG-CZ 3.92Å; Y350-F423 HydrophobicContact CG-CZ 3.92Å; Y350-V430 HydrophobicContact CD2-CB 4.06Å; Y350-V430 HydrophobicContact CD2-CG1 3.94Å; Y350-V430 HydrophobicContact CE2-CB 3.75Å; Y350-V430 HydrophobicContact CE2-CG1 3.67Å; Y350-V430 WeakPolarHBondContact O-CB 3.29Å; Y350-V430 WeakPolarHBondContact O-CG1 3.31Å; Y350-D431 WeakPolarHBondContact CD1-O 3.41Å; Y350-D431 HydrophobicContact CE1-CB 4.07Å; Y350-D431 WeakPolarHBondContact CE1-O 3.47Å; Y350-D431 VanDerWaalsContact CZ-N 3.34Å; Y350-D431 PolarHBondContact N-O 3.2Å; Y350-D431 PolarHBondContact OH-N 3.31Å
351	P	93.6	Very high	92	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.013	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.3	145.3	175.9	-19.8	32.7	0	0	0	113.1	Y293 L326 P344 I354 S425	Y293-P351 HydrophobicContact CD2-CG 4.05Å; Y293-P351 HydrophobicContact CG-CG 4.18Å; L326-P351 HydrophobicContact CD1-CB 4.23Å; L326-P351 HydrophobicContact CD1-CG 3.85Å; L326-P351 HydrophobicContact CD2-CG 4.15Å; L326-P351 HydrophobicContact CG-CG 4.45Å; P344-P351 HydrophobicContact CB-CG 4.29Å; P351-I354 HydrophobicContact CB-CB 4.31Å; P351-I354 HydrophobicContact CB-CD1 4.03Å; P351-I354 HydrophobicContact CG-CD1 3.83Å; P351-I354 VanDerWaalsContact O-CG2 3.31Å; P351-I354 WeakPolarHBondContact O-CG2 3.47Å; P351-S425 PolarHBondContact O-OG 2.92Å
352	P	93.4	Very high	92.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.019	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	153.5	169.3	34	-39.9	0	0	0	111.1	L277 Y293 I354 D426 V430	L277-P352 HydrophobicContact CD2-CB 3.73Å; L277-P352 HydrophobicContact CD2-CG 3.67Å; Y293-P352 WeakPolarHBondContact O-CD 3.49Å; P352-I354 PolarHBondContact O-N 3.01Å; P352-D426 CarbonylContact C-O 3.58Å; P352-D426 WeakPolarHBondContact CA-O 3.05Å; P352-D426 WeakPolarHBondContact CB-O 3.19Å; P352-V430 HydrophobicContact CB-CG1 4.19Å
353	N	91.6	Very high	92.1	Very high	82 Å²	82	34.8 Å²	34.8	44%	0.439	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.3	177.6	-177.9	45.3	0	0	0	112.6	S425 D426 H427	N353-S425 WeakPolarHBondContact CA-O 3.36Å; N353-S425 PolarHBondContact N-OG 2.91Å; N353-S425 VanDerWaalsContact N-OG 3.11Å; N353-D426 PolarHBondContact N-O 2.92Å; N353-H427 VanDerWaalsContact CG-CE1 3.44Å; N353-H427 PolarHBondContact ND2-CE1 3.47Å; N353-H427 VanDerWaalsContact ND2-CE1 3.27Å
354	I	91.2	Very high	91.9	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.062	22%	0.219	C	C	.	.			trans	-102	141.7	176.3	-155.9	154.7	0	0	0	111.1	L326 P344 P351 P352 F423 L424 S425	L326-I354 HydrophobicContact CB-CD1 3.76Å; P344-I354 HydrophobicContact CG-CD1 3.93Å; P351-I354 HydrophobicContact CB-CB 4.31Å; P351-I354 HydrophobicContact CB-CD1 4.03Å; P351-I354 HydrophobicContact CG-CD1 3.83Å; P351-I354 VanDerWaalsContact O-CG2 3.31Å; P351-I354 WeakPolarHBondContact O-CG2 3.47Å; P352-I354 PolarHBondContact O-N 3.01Å; I354-F423 HydrophobicContact CG2-CD1 4.34Å; I354-F423 HydrophobicContact CG2-CE1 3.89Å; I354-L424 WeakPolarHBondContact O-CA 3.34Å; I354-S425 PolarHBondContact N-OG 2.99Å; I354-S425 PolarHBondContact O-N 3.12Å
355	K	92.9	Very high	91.6	Very high	96 Å²	96	43 Å²	43	42%	0.417	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	170	176.4	170.6	172.9	146.4	0	108.5	E422 F423 L424	K355-E422 WeakPolarHBondContact CE-OE1 3.37Å; K355-E422 VanDerWaalsContact NZ-CD 3.3Å; K355-E422 IonicContact NZ-OE1 2.66Å; K355-E422 PolarHBondContact NZ-OE1 3.4Å; K355-E422 IonicContact NZ-OE2 2.79Å; K355-F423 WeakPolarHBondContact CA-O 3.49Å; K355-L424 HydrophobicContact CB-CD2 3.69Å; K355-L424 HydrophobicContact CD-CD2 3.95Å; K355-L424 HydrophobicContact CG-CD2 3.71Å
356	C	93.1	Very high	91.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.7	176.2	-68	0	0	0	0	109.8	C330 S331 P344 W358 E422 F423	C330-C356 HydrophobicContact CB-CB 3.58Å; C330-C356 WeakPolarHBondContact CB-SG 2.98Å; C330-C356 WeakPolarHBondContact SG-CB 2.97Å; C330-C356 CovalentContact SG-SG 2.03Å; C330-C356 PolarHBondContact SG-SG 2.85Å; S331-C356 WeakPolarHBondContact OG-CA 3.29Å; P344-C356 VanDerWaalsContact CG-SG 3.56Å; C356-W358 HydrophobicContact CB-CH2 3.55Å; C356-W358 HydrophobicContact CB-CZ2 3.98Å; C356-W358 HydrophobicContact CB-CZ3 3.93Å; C356-E422 CarbonylContact O-C 3.23Å; C356-E422 WeakPolarHBondContact O-CA 3.39Å; C356-F423 HydrophobicContact CB-CB 4.26Å; C356-F423 HydrophobicContact CB-CD1 4.37Å; C356-F423 PolarHBondContact N-O 3.45Å; C356-F423 PolarHBondContact O-N 2.71Å
357	D	92.9	Very high	91.7	Very high	76 Å²	76	42.7 Å²	42.7	41%	0.406	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.2	-175.9	56.2	-77.1	0	0	0	112.2	S331 T332 L421	S331-D357 CarbonylContact C-O 3.56Å; S331-D357 WeakPolarHBondContact CA-O 3.09Å; S331-D357 VanDerWaalsContact CB-OD1 3.28Å; S331-D357 WeakPolarHBondContact CB-OD1 3.42Å; S331-D357 PolarHBondContact OG-N 3.02Å; S331-D357 PolarHBondContact OG-OD1 3Å; T332-D357 PolarHBondContact N-O 3.34Å; D357-L421 WeakPolarHBondContact CA-O 3.32Å
358	W	94.3	Very high	92.1	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.8	177.9	-61	-82.3	0	0	0	110.7	C330 T332 F341 S342 C356 T420 L421 F423 F434	C330-W358 HydrophobicContact CB-CH2 4.47Å; C330-W358 HydrophobicContact CB-CZ2 3.77Å; C330-W358 PolarHBondContact O-NE1 3.22Å; T332-W358 WeakPolarHBondContact O-CA 3.06Å; F341-W358 AromaticContact CD2-CD1 3.99Å; F341-W358 AromaticContact CD2-CD2 3.62Å; F341-W358 HydrophobicContact CD2-CD2 3.62Å; F341-W358 AromaticContact CD2-CE2 3.6Å; F341-W358 HydrophobicContact CD2-CE3 4.15Å; F341-W358 AromaticContact CD2-CG 3.87Å; F341-W358 HydrophobicContact CD2-CG 3.87Å; F341-W358 HydrophobicContact CD2-CZ2 4.09Å; F341-W358 AromaticContact CD2-NE1 3.82Å; F341-W358 HydrophobicContact CE2-CD2 4.01Å; F341-W358 HydrophobicContact CE2-CE3 4.15Å; F341-W358 HydrophobicContact CE2-CG 4.29Å; F341-W358 HydrophobicContact CG-CD2 4.45Å; F341-W358 HydrophobicContact CG-CG 4.3Å; S342-W358 WeakPolarHBondContact O-CZ2 3.43Å; C356-W358 HydrophobicContact CB-CH2 3.55Å; C356-W358 HydrophobicContact CB-CZ2 3.98Å; C356-W358 HydrophobicContact CB-CZ3 3.93Å; W358-T420 WeakPolarHBondContact O-CA 3.27Å; W358-L421 HydrophobicContact CB-CB 4.42Å; W358-L421 HydrophobicContact CE3-CB 4.04Å; W358-L421 PolarHBondContact N-O 2.95Å; W358-L421 PolarHBondContact O-N 3.38Å; W358-F423 HydrophobicContact CH2-CB 3.98Å; W358-F423 HydrophobicContact CZ3-CB 3.66Å; W358-F434 HydrophobicContact CH2-CE2 4.34Å; W358-F434 AromaticContact CH2-CZ 3.87Å; W358-F434 HydrophobicContact CH2-CZ 3.87Å; W358-F434 AromaticContact CZ3-CZ 3.96Å; W358-F434 HydrophobicContact CZ3-CZ 3.96Å
359	E	94.6	Very high	92.2	Very high	103 Å²	103	39.8 Å²	39.8	48%	0.481	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.7	168.1	-69.2	-165.7	169.7	0	0	109.3	T332 K333 L334 T420	T332-E359 PolarHBondContact O-N 3.22Å; K333-E359 CarbonylContact C-O 3.57Å; K333-E359 WeakPolarHBondContact CA-O 3.39Å; K333-E359 HydrophobicContact CB-CB 4.44Å; K333-E359 HydrophobicContact CD-CB 4.46Å; K333-E359 HydrophobicContact CG-CB 4.13Å; K333-E359 IonicContact NZ-OE2 2.7Å; L334-E359 PolarHBondContact N-O 2.92Å; E359-T420 HydrophobicContact CG-CG2 4.49Å
360	I	95.7	Very high	92.3	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130	177.7	-52.3	176.6	0	0	0	109.2	L334 F341 V362 V368 V370 K418 M419 L421 Y438	L334-I360 HydrophobicContact CB-CG1 4.33Å; L334-I360 HydrophobicContact CD1-CG1 4.23Å; L334-I360 CarbonylContact O-C 3.56Å; L334-I360 WeakPolarHBondContact O-CA 3.47Å; F341-I360 HydrophobicContact CE1-CD1 3.81Å; F341-I360 HydrophobicContact CZ-CD1 4.24Å; I360-V362 HydrophobicContact CG2-CG1 4.38Å; I360-V368 HydrophobicContact CB-CG1 4.23Å; I360-V368 HydrophobicContact CD1-CG1 4.37Å; I360-V368 HydrophobicContact CG2-CG1 3.66Å; I360-V368 HydrophobicContact CG2-CG2 4.3Å; I360-V370 HydrophobicContact CD1-CG2 3.61Å; I360-K418 CarbonylContact O-C 3.5Å; I360-K418 WeakPolarHBondContact O-CA 3.38Å; I360-M419 HydrophobicContact CB-CB 4.4Å; I360-M419 PolarHBondContact N-O 3.33Å; I360-M419 PolarHBondContact O-N 2.91Å; I360-L421 HydrophobicContact CD1-CD1 3.59Å; I360-L421 HydrophobicContact CG1-CD1 4.24Å; I360-Y438 HydrophobicContact CD1-CD1 4.18Å; I360-Y438 HydrophobicContact CD1-CG 4.11Å; I360-Y438 HydrophobicContact CG2-CD1 4.24Å; I360-Y438 HydrophobicContact CG2-CD2 3.55Å; I360-Y438 HydrophobicContact CG2-CE1 4.44Å; I360-Y438 HydrophobicContact CG2-CE2 3.79Å; I360-Y438 HydrophobicContact CG2-CG 3.81Å
361	E	95.4	Very high	92.2	Very high	54 Å²	54	39.6 Å²	39.6	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	109.1	178.2	179.5	161.1	-168.8	0	0	110.6	K333 L334 T335 G336 N417 K418	K333-E361 VanDerWaalsContact CE-OE2 3.29Å; K333-E361 WeakPolarHBondContact CE-OE2 3.32Å; K333-E361 IonicContact NZ-OE2 2.76Å; K333-E361 PolarHBondContact NZ-OE2 2.64Å; L334-E361 PolarHBondContact O-N 3.02Å; T335-E361 WeakPolarHBondContact CA-O 3.4Å; T335-E361 HydrophobicContact CG2-CB 4.38Å; G336-E361 PolarHBondContact N-O 3.11Å; E361-N417 WeakPolarHBondContact CA-O 3.28Å; E361-K418 HydrophobicContact CB-CG 4.46Å; E361-K418 HydrophobicContact CG-CD 4.48Å; E361-K418 HydrophobicContact CG-CG 4.28Å; E361-K418 WeakPolarHBondContact OE1-CE 3.36Å; E361-K418 IonicContact OE1-NZ 2.66Å; E361-K418 PolarHBondContact OE1-NZ 3.06Å; E361-K418 IonicContact OE2-NZ 2.7Å; E361-K418 PolarHBondContact OE2-NZ 2.83Å
362	V	94.3	Very high	92	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-96.4	163.2	178.8	-58.4	0	0	0	0	111.1	G336 I360 K366 V368 N417 Y438 A440	G336-V362 WeakPolarHBondContact O-CG1 3.48Å; I360-V362 HydrophobicContact CG2-CG1 4.38Å; V362-K366 HydrophobicContact CG2-CB 4.12Å; V362-V368 HydrophobicContact CB-CG2 4.47Å; V362-V368 HydrophobicContact CG1-CB 4.43Å; V362-V368 HydrophobicContact CG1-CG1 4.38Å; V362-V368 HydrophobicContact CG1-CG2 3.89Å; V362-V368 HydrophobicContact CG2-CG2 3.87Å; V362-N417 HydrophobicContact CG2-CB 3.9Å; V362-N417 WeakPolarHBondContact CG2-O 3.09Å; V362-N417 PolarHBondContact N-O 2.85Å; V362-N417 PolarHBondContact O-ND2 3.45Å; V362-Y438 HydrophobicContact CG1-CD2 4.35Å; V362-Y438 HydrophobicContact CG1-CE2 4.41Å; V362-A440 HydrophobicContact CB-CB 3.72Å; V362-A440 HydrophobicContact CG1-CB 3.8Å; V362-A440 HydrophobicContact CG2-CB 4.23Å
363	P	92.8	Very high	91.4	Very high	68 Å²	68	44 Å²	44	44%	0.442	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-54.5	144.2	-179.9	-28.5	36.8	0	0	0	113.9	G365 K366	P363-G365 PolarHBondContact O-N 3.01Å; P363-K366 WeakPolarHBondContact O-CB 3.23Å; P363-K366 PolarHBondContact O-N 3.49Å; P363-K366 VanDerWaalsContact O-N 3.15Å
364	S	87.3	Confident	90.9	Very high	115 Å²	115	45.7 Å²	45.7	80%	0.804	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	136	179.3	-54.5	0	0	0	0	112.3
365	G	84.3	Confident	90.7	Very high	62 Å²	62	45.2 Å²	45.2	64%	0.639	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-9.1	-175.7	0	0	0	0	0	114.6	P363 P443	P363-G365 PolarHBondContact O-N 3.01Å; G365-P443 WeakPolarHBondContact O-CD 3.27Å
366	K	88.6	Confident	90.5	Very high	78 Å²	78	41.7 Å²	41.7	34%	0.339	23%	0.23	S	C	.	.			trans	-106.5	163.2	174.5	-65.7	-163.3	164.5	-152	0	112.7	V362 P363 N417 A440 I441	V362-K366 HydrophobicContact CG2-CB 4.12Å; P363-K366 WeakPolarHBondContact O-CB 3.23Å; P363-K366 PolarHBondContact O-N 3.49Å; P363-K366 VanDerWaalsContact O-N 3.15Å; K366-N417 WeakPolarHBondContact O-CA 3Å; K366-N417 WeakPolarHBondContact O-CB 3.47Å; K366-N417 PolarHBondContact O-N 2.85Å; K366-A440 HydrophobicContact CB-CB 4.23Å; K366-A440 HydrophobicContact CD-CB 3.77Å; K366-A440 PolarHBondContact NZ-O 3.27Å; K366-I441 CarbonylContact C-O 3.54Å; K366-I441 VanDerWaalsContact CA-O 3.28Å; K366-I441 WeakPolarHBondContact CA-O 3.42Å; K366-I441 VanDerWaalsContact CB-O 3.24Å; K366-I441 WeakPolarHBondContact CB-O 3.28Å
367	V	91.3	Very high	90.4	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.5	171	-64.5	0	0	0	0	111.2	I413 S414 T416 I441 P443	V367-I413 HydrophobicContact CB-CG2 4.41Å; V367-I413 HydrophobicContact CG2-CG2 3.85Å; V367-S414 WeakPolarHBondContact CB-O 3.45Å; V367-T416 WeakPolarHBondContact CA-O 2.89Å; V367-I441 HydrophobicContact CG2-CB 4.04Å; V367-I441 HydrophobicContact CG2-CG2 4.26Å; V367-I441 PolarHBondContact N-O 2.81Å; V367-I441 PolarHBondContact O-N 3.36Å; V367-P443 HydrophobicContact CG1-CB 4.16Å; V367-P443 HydrophobicContact CG1-CG 4.42Å
368	V	93	Very high	90	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.4	175.2	-166.1	0	0	0	0	109.4	I360 V362 V370 I413 S414 T416 M419	I360-V368 HydrophobicContact CB-CG1 4.23Å; I360-V368 HydrophobicContact CD1-CG1 4.37Å; I360-V368 HydrophobicContact CG2-CG1 3.66Å; I360-V368 HydrophobicContact CG2-CG2 4.3Å; V362-V368 HydrophobicContact CB-CG2 4.47Å; V362-V368 HydrophobicContact CG1-CB 4.43Å; V362-V368 HydrophobicContact CG1-CG1 4.38Å; V362-V368 HydrophobicContact CG1-CG2 3.89Å; V362-V368 HydrophobicContact CG2-CG2 3.87Å; V368-V370 HydrophobicContact CG1-CG2 4.2Å; V368-I413 CarbonylContact O-C 3.57Å; V368-I413 WeakPolarHBondContact O-CA 3.28Å; V368-S414 PolarHBondContact O-N 3.22Å; V368-T416 PolarHBondContact N-O 3.41Å; V368-M419 HydrophobicContact CB-CB 3.85Å; V368-M419 HydrophobicContact CB-SD 4.24Å; V368-M419 HydrophobicContact CG1-CB 3.95Å; V368-M419 HydrophobicContact CG1-SD 4.07Å; V368-M419 HydrophobicContact CG2-CB 3.88Å
369	K	91.3	Very high	89.3	Confident	43 Å²	43	40.2 Å²	40.2	19%	0.187	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.7	158.6	175	-176.6	162.8	-148.9	0	109	T371 F411 E412 I413 Y438 E439 I441	K369-T371 WeakPolarHBondContact CE-OG1 3.41Å; K369-F411 HydrophobicContact CD-CD2 4.46Å; K369-F411 HydrophobicContact CG-CB 4.43Å; K369-E412 CarbonylContact C-O 3.23Å; K369-E412 VanDerWaalsContact CA-O 3.31Å; K369-E412 WeakPolarHBondContact CA-O 3.34Å; K369-I413 HydrophobicContact CB-CG1 4.1Å; K369-I413 HydrophobicContact CD-CG1 4.39Å; K369-I413 HydrophobicContact CG-CG1 4Å; K369-Y438 CarbonylContact O-C 3.56Å; K369-Y438 WeakPolarHBondContact O-CA 3.46Å; K369-E439 HydrophobicContact CB-CG 4.08Å; K369-E439 HydrophobicContact CD-CG 4.31Å; K369-E439 WeakPolarHBondContact CD-OE1 3.23Å; K369-E439 WeakPolarHBondContact CE-OE1 3.4Å; K369-E439 HydrophobicContact CG-CG 4.49Å; K369-E439 PolarHBondContact N-O 2.84Å; K369-E439 IonicContact NZ-OE1 2.84Å; K369-E439 PolarHBondContact NZ-OE1 3.38Å; K369-E439 PolarHBondContact O-N 3.21Å; K369-I441 HydrophobicContact CB-CD1 3.75Å; K369-I441 HydrophobicContact CB-CG1 4.17Å; K369-I441 HydrophobicContact CD-CD1 3.43Å; K369-I441 VanDerWaalsContact CD-CD1 3.43Å; K369-I441 HydrophobicContact CG-CD1 4.24Å
370	V	93	Very high	88.5	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.7	170.4	172.4	0	0	0	0	108.5	F341 I360 V368 F372 F411 E412 M419 L421 A436 E437	F341-V370 HydrophobicContact CE1-CG1 4.24Å; F341-V370 HydrophobicContact CE1-CG2 4.46Å; F341-V370 HydrophobicContact CZ-CG1 3.85Å; F341-V370 HydrophobicContact CZ-CG2 4.45Å; I360-V370 HydrophobicContact CD1-CG2 3.61Å; V368-V370 HydrophobicContact CG1-CG2 4.2Å; V370-F372 HydrophobicContact CG1-CD2 4.24Å; V370-F372 HydrophobicContact CG1-CE2 3.74Å; V370-F372 HydrophobicContact CG1-CZ 4.03Å; V370-F411 CarbonylContact O-C 3.5Å; V370-F411 WeakPolarHBondContact O-CA 3.27Å; V370-F411 WeakPolarHBondContact O-CB 3.43Å; V370-E412 PolarHBondContact N-O 3.25Å; V370-E412 PolarHBondContact O-N 2.04Å; V370-M419 HydrophobicContact CB-SD 4.19Å; V370-M419 HydrophobicContact CG2-SD 3.55Å; V370-M419 VanDerWaalsContact CG2-SD 3.55Å; V370-L421 HydrophobicContact CG1-CD2 4.17Å; V370-L421 HydrophobicContact CG2-CD1 4.17Å; V370-A436 HydrophobicContact CG1-CB 4.08Å; V370-E437 CarbonylContact C-O 3.44Å; V370-E437 WeakPolarHBondContact CA-O 3.41Å
371	T	90.9	Very high	87.3	Confident	9 Å²	9	43 Å²	43	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.4	178	-50.8	0	0	0	0	109.7	K369 N409 I410 F411 A436 E437	K369-T371 WeakPolarHBondContact CE-OG1 3.41Å; T371-N409 HydrophobicContact CG2-CB 3.78Å; T371-I410 CarbonylContact C-O 3.59Å; T371-I410 WeakPolarHBondContact CA-O 3.26Å; T371-F411 HydrophobicContact CG2-CB 4.37Å; T371-A436 CarbonylContact O-C 3.6Å; T371-A436 VanDerWaalsContact O-CA 3.28Å; T371-A436 WeakPolarHBondContact O-CA 3.39Å; T371-E437 PolarHBondContact N-O 2.79Å; T371-E437 PolarHBondContact O-N 3.42Å
372	F	89.8	Confident	86.3	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.4	171.7	-59.5	-96.9	0	0	0	108.5	V370 L375 V393 I395 L401 N409 I410 L421 F434 A436	V370-F372 HydrophobicContact CG1-CD2 4.24Å; V370-F372 HydrophobicContact CG1-CE2 3.74Å; V370-F372 HydrophobicContact CG1-CZ 4.03Å; F372-L375 HydrophobicContact CD1-CD1 3.75Å; F372-L375 HydrophobicContact CE1-CD1 4.05Å; F372-L375 HydrophobicContact CG-CD1 4.23Å; F372-V393 HydrophobicContact CE1-CG1 4.45Å; F372-V393 HydrophobicContact CZ-CG1 4.19Å; F372-I395 HydrophobicContact CE2-CD1 3.83Å; F372-I395 HydrophobicContact CZ-CD1 4.01Å; F372-L401 HydrophobicContact CD2-CD1 4.22Å; F372-L401 HydrophobicContact CE2-CD1 3.86Å; F372-L401 HydrophobicContact CZ-CD1 4.32Å; F372-N409 WeakPolarHBondContact O-CA 3.34Å; F372-I410 HydrophobicContact CB-CB 4.39Å; F372-I410 HydrophobicContact CD2-CB 4.48Å; F372-I410 HydrophobicContact CD2-CG2 4.48Å; F372-I410 PolarHBondContact N-O 2.81Å; F372-I410 PolarHBondContact O-N 2.77Å; F372-L421 HydrophobicContact CE2-CD2 4.49Å; F372-L421 HydrophobicContact CZ-CD2 3.77Å; F372-F434 HydrophobicContact CD1-CB 4.35Å; F372-F434 AromaticContact CD1-CD2 3.75Å; F372-F434 HydrophobicContact CD1-CD2 3.75Å; F372-F434 HydrophobicContact CD1-CE2 4.3Å; F372-F434 HydrophobicContact CD1-CG 4.1Å; F372-F434 AromaticContact CE1-CD2 3.69Å; F372-F434 HydrophobicContact CE1-CD2 3.69Å; F372-F434 AromaticContact CE1-CE2 3.76Å; F372-F434 HydrophobicContact CE1-CE2 3.76Å; F372-F434 HydrophobicContact CE1-CG 4.23Å; F372-F434 HydrophobicContact CE1-CZ 4.35Å; F372-A436 HydrophobicContact CD1-CB 3.74Å; F372-A436 HydrophobicContact CE1-CB 3.91Å; F372-A436 HydrophobicContact CG-CB 4.23Å
373	K	80.6	Confident	85	Confident	96 Å²	96	46.8 Å²	46.8	42%	0.417	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-30.7	179.2	-73.3	177.5	178.5	156.5	0	113.3	Q435 E437	K373-Q435 PolarHBondContact N-O 2.97Å; K373-E437 WeakPolarHBondContact CE-OE1 3.39Å; K373-E437 WeakPolarHBondContact CE-OE2 3.43Å; K373-E437 IonicContact NZ-OE1 3.81Å; K373-E437 PolarHBondContact NZ-OE1 3.38Å; K373-E437 VanDerWaalsContact NZ-OE1 3.08Å; K373-E437 IonicContact NZ-OE2 2.84Å; K373-E437 PolarHBondContact NZ-OE2 3.21Å
374	K	81	Confident	83.9	Confident	117 Å²	117	47.9 Å²	47.9	51%	0.509	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.1	172.7	-64.9	-167.1	174.6	-165.2	0	106.9	F434	K374-F434 VanDerWaalsContact O-CB 3.27Å; K374-F434 WeakPolarHBondContact O-CB 3.23Å
375	L	87.8	Confident	82.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	100.2	173.2	-173.3	128.1	0	0	0	107.9	F372 L377 V393 L401 H405 F434	F372-L375 HydrophobicContact CD1-CD1 3.75Å; F372-L375 HydrophobicContact CE1-CD1 4.05Å; F372-L375 HydrophobicContact CG-CD1 4.23Å; L375-L377 HydrophobicContact CD1-CD1 4.43Å; L375-L377 HydrophobicContact CD2-CB 4.47Å; L375-L377 HydrophobicContact CD2-CD1 4.08Å; L375-L377 HydrophobicContact CD2-CG 4.22Å; L375-L377 HydrophobicContact CG-CD1 4.2Å; L375-L377 HydrophobicContact CG-CG 4.25Å; L375-V393 HydrophobicContact CD1-CG2 4.09Å; L375-L401 HydrophobicContact CD1-CB 4.39Å; L375-H405 HydrophobicContact CB-CB 4.37Å; L375-H405 PolarHBondContact N-O 3.43Å; L375-H405 PolarHBondContact O-N 3.3Å; L375-F434 HydrophobicContact CB-CB 4.49Å; L375-F434 HydrophobicContact CD1-CB 4.43Å; L375-F434 HydrophobicContact CD1-CD1 4.3Å; L375-F434 HydrophobicContact CD1-CG 4.42Å; L375-F434 HydrophobicContact CG-CB 4.47Å
376	L	89.4	Confident	82	Confident	23 Å²	23	47.8 Å²	47.8	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	85.1	-176.6	-54.6	177.1	0	0	0	107.4	D404 K406 D431 R432 G433	L376-D404 WeakPolarHBondContact CD2-OD1 3.29Å; L376-K406 HydrophobicContact CD2-CG 4.08Å; L376-D431 WeakPolarHBondContact CA-OD2 3.2Å; L376-D431 WeakPolarHBondContact CB-OD2 3.36Å; L376-D431 WeakPolarHBondContact O-CB 3.49Å; L376-R432 HydrophobicContact CB-CB 4.47Å; L376-R432 HydrophobicContact CD1-CB 3.96Å; L376-G433 WeakPolarHBondContact CB-O 3.46Å; L376-G433 PolarHBondContact N-O 3.14Å; L376-G433 WeakPolarHBondContact O-CA 3.39Å; L376-G433 PolarHBondContact O-N 2.84Å
377	L	90.1	Very high	81.4	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	45.9	175.2	-59.3	-179.4	0	0	0	108.6	Y350 L375 V393 G403 F423 D431	Y350-L377 HydrophobicContact CD1-CD2 4.2Å; Y350-L377 HydrophobicContact CE1-CD2 3.43Å; Y350-L377 VanDerWaalsContact CE1-CD2 3.43Å; L375-L377 HydrophobicContact CD1-CD1 4.43Å; L375-L377 HydrophobicContact CD2-CB 4.47Å; L375-L377 HydrophobicContact CD2-CD1 4.08Å; L375-L377 HydrophobicContact CD2-CG 4.22Å; L375-L377 HydrophobicContact CG-CD1 4.2Å; L375-L377 HydrophobicContact CG-CG 4.25Å; L377-V393 HydrophobicContact CD1-CG2 3.95Å; L377-G403 CarbonylContact C-O 3.59Å; L377-G403 PolarHBondContact N-O 3.13Å; L377-G403 VanDerWaalsContact O-CA 3.29Å; L377-G403 WeakPolarHBondContact O-CA 3.29Å; L377-G403 PolarHBondContact O-N 2.85Å; L377-F423 HydrophobicContact CD1-CD2 4.32Å; L377-F423 HydrophobicContact CD1-CE2 3.96Å; L377-F423 HydrophobicContact CD2-CD2 4.49Å; L377-F423 HydrophobicContact CD2-CE2 3.54Å; L377-F423 HydrophobicContact CD2-CZ 3.98Å; L377-F423 HydrophobicContact CG-CE2 4.45Å; L377-D431 PolarHBondContact N-OD2 2.78Å
378	A	83.6	Confident	81.1	Confident	38 Å²	38	49.6 Å²	49.6	31%	0.314	29%	0.285	S	S	.	.			trans	-73.7	132.7	-178.2	0	0	0	0	0	110.7	D404 D431	A378-D404 HydrophobicContact CB-CB 4.06Å; A378-D431 VanDerWaalsContact CB-OD2 3.26Å; A378-D431 WeakPolarHBondContact CB-OD2 3.36Å; A378-D431 PolarHBondContact N-OD2 3.45Å
379	E	80.9	Confident	80.7	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.056	32%	0.317	C	S	.	.			trans	-148	140.3	176.6	-165.2	175.4	164.4	0	0	113.3	G381 Q382 K390 S428	E379-G381 PolarHBondContact O-N 2.7Å; E379-G381 VanDerWaalsContact O-N 3.16Å; E379-Q382 HydrophobicContact CB-CB 4.37Å; E379-Q382 PolarHBondContact O-N 2.82Å; E379-K390 VanDerWaalsContact CD-NZ 3.3Å; E379-K390 HydrophobicContact CG-CD 4.05Å; E379-K390 WeakPolarHBondContact OE1-CD 3.19Å; E379-K390 IonicContact OE1-NZ 2.72Å; E379-K390 PolarHBondContact OE1-NZ 3.19Å; E379-K390 WeakPolarHBondContact OE2-CB 3.29Å; E379-K390 WeakPolarHBondContact OE2-CD 3.36Å; E379-K390 IonicContact OE2-NZ 2.6Å; E379-S428 WeakPolarHBondContact OE1-CB 3.49Å
380	P	77.9	Confident	80.4	Confident	78 Å²	78	56.5 Å²	56.5	51%	0.506	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	121.2	172.6	-28.6	36.6	0	0	0	113.2	K390 Y429	P380-K390 PolarHBondContact O-NZ 2.8Å; P380-Y429 HydrophobicContact CG-CD2 4.18Å; P380-Y429 HydrophobicContact CG-CE2 4.24Å; P380-Y429 HydrophobicContact CG-CG 4.41Å
381	G	71	Confident	80.4	Confident	85 Å²	85	56.5 Å²	56.5	88%	0.876	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	1.2	-180	0	0	0	0	0	115.7	E379	E379-G381 PolarHBondContact O-N 2.7Å; E379-G381 VanDerWaalsContact O-N 3.16Å
382	Q	72.9	Confident	80.5	Confident	20 Å²	20	57.8 Å²	57.8	9%	0.093	33%	0.325	C	S	.	.			trans	-108.5	127.8	173.6	-170.7	160.9	-101.5	0	0	110.1	E379 N387 D391 C402	E379-Q382 HydrophobicContact CB-CB 4.37Å; E379-Q382 PolarHBondContact O-N 2.82Å; Q382-N387 PolarHBondContact OE1-O 2.99Å; Q382-D391 PolarHBondContact NE2-O 2.83Å; Q382-C402 HydrophobicContact CG-CB 4.5Å
383	E	67.6	Low	80.7	Confident	117 Å²	117	57.7 Å²	57.7	55%	0.547	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-96.4	151	177.8	-85.6	-175.3	-149.4	0	0	110.9	G385 K386	E383-G385 PolarHBondContact O-N 2.67Å; E383-K386 HydrophobicContact CB-CB 4.05Å; E383-K386 PolarHBondContact O-N 3.03Å; E383-K386 WeakPolarHBondContact OE2-CD 3.38Å; E383-K386 IonicContact OE2-NZ 3.21Å; E383-K386 PolarHBondContact OE2-NZ 2.87Å
384	N	69.9	Low	81.3	Confident	92 Å²	92	55 Å²	55	49%	0.492	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	112.6	178.4	-76.5	2.4	0	0	0	112.2	K386 G403 D404	N384-K386 PolarHBondContact O-N 2.85Å; N384-G403 WeakPolarHBondContact OD1-CA 3.48Å; N384-D404 PolarHBondContact ND2-O 3.16Å; N384-D404 PolarHBondContact OD1-N 3.33Å
385	G	64.9	Low	81.9	Confident	52 Å²	52	49.7 Å²	49.7	54%	0.536	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	10.7	179.6	0	0	0	0	0	115.8	E383 C402	E383-G385 PolarHBondContact O-N 2.67Å; G385-C402 PolarHBondContact N-O 3.03Å
386	K	67.3	Low	81.9	Confident	122 Å²	122	51.9 Å²	51.9	53%	0.53	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-129.4	138.4	176.2	-61.5	-176.3	-154.4	149.6	0	110.7	E383 N384 C388	E383-K386 HydrophobicContact CB-CB 4.05Å; E383-K386 PolarHBondContact O-N 3.03Å; E383-K386 WeakPolarHBondContact OE2-CD 3.38Å; E383-K386 IonicContact OE2-NZ 3.21Å; E383-K386 PolarHBondContact OE2-NZ 2.87Å; N384-K386 PolarHBondContact O-N 2.85Å; K386-C388 PolarHBondContact O-N 2.76Å
387	N	75.6	Confident	81.8	Confident	124 Å²	124	58.5 Å²	58.5	66%	0.663	33%	0.331	S	S	*	.			trans	53.2	51.3	179.8	-55.2	-12.5	0	0	0	112.5	Q382 D389	Q382-N387 PolarHBondContact OE1-O 2.99Å; N387-D389 PolarHBondContact O-N 3.01Å
388	C	84	Confident	81.6	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.074	37%	0.37	C	S	.	.			trans	-70.3	58.9	173.9	-59.7	0	0	0	0	111.9	K386 Y392 K400 C402	K386-C388 PolarHBondContact O-N 2.76Å; C388-Y392 VanDerWaalsContact O-CD1 3.23Å; C388-Y392 WeakPolarHBondContact O-CD1 3.27Å; C388-K400 HydrophobicContact CB-CB 3.93Å; C388-K400 HydrophobicContact CB-CD 3.85Å; C388-K400 VanDerWaalsContact O-CD 3.24Å; C388-K400 WeakPolarHBondContact O-CD 3.38Å; C388-K400 PolarHBondContact O-NZ 2.85Å; C388-C402 WeakPolarHBondContact CA-SG 3.39Å; C388-C402 HydrophobicContact CB-CB 3.6Å; C388-C402 WeakPolarHBondContact CB-SG 3.5Å; C388-C402 WeakPolarHBondContact SG-CB 3.36Å; C388-C402 CovalentContact SG-SG 2.03Å; C388-C402 PolarHBondContact SG-SG 2.87Å
389	D	84.4	Confident	81.8	Confident	123 Å²	123	68.5 Å²	68.5	66%	0.658	38%	0.375	S	S	*	.			trans	-98.3	-11.2	-174.1	-67.4	-35.2	0	0	0	113.2	N387 K400	N387-D389 PolarHBondContact O-N 3.01Å; D389-K400 IonicContact OD1-NZ 2.89Å
390	K	86.6	Confident	82.3	Confident	64 Å²	64	71.4 Å²	71.4	28%	0.278	39%	0.387	S	S	.	.	S	Bend	trans	-101.6	-112.9	174.3	-54.9	-168.4	177.3	-175.6	0	110.4	E379 P380 Y392	E379-K390 VanDerWaalsContact CD-NZ 3.3Å; E379-K390 HydrophobicContact CG-CD 4.05Å; E379-K390 WeakPolarHBondContact OE1-CD 3.19Å; E379-K390 IonicContact OE1-NZ 2.72Å; E379-K390 PolarHBondContact OE1-NZ 3.19Å; E379-K390 WeakPolarHBondContact OE2-CB 3.29Å; E379-K390 WeakPolarHBondContact OE2-CD 3.36Å; E379-K390 IonicContact OE2-NZ 2.6Å; P380-K390 PolarHBondContact O-NZ 2.8Å; K390-Y392 WeakPolarHBondContact O-CD1 3.16Å; K390-Y392 WeakPolarHBondContact O-CE1 3.23Å
391	D	92.1	Very high	82.8	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	37%	0.367	C	S	.	.	S	Bend	trans	-78.2	125	178.9	-73	10.4	0	0	0	112.4	Y350 Q382 C402 L424 S425 D426	Y350-D391 WeakPolarHBondContact CE2-OD2 3.3Å; Y350-D391 PolarHBondContact OH-OD2 3.34Å; Q382-D391 PolarHBondContact NE2-O 2.83Å; D391-C402 VanDerWaalsContact O-CB 3.23Å; D391-C402 WeakPolarHBondContact O-CB 3.44Å; D391-L424 WeakPolarHBondContact CA-O 3.38Å; D391-S425 WeakPolarHBondContact OD1-CA 3.45Å; D391-D426 PolarHBondContact OD1-N 2.69Å
392	Y	93.4	Very high	83.7	Confident	36 Å²	36	64.5 Å²	64.5	14%	0.141	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158.1	179.4	62.5	-95.3	0	0	0	115	C388 K390 M394 K400 L401 F423 L424	C388-Y392 VanDerWaalsContact O-CD1 3.23Å; C388-Y392 WeakPolarHBondContact O-CD1 3.27Å; K390-Y392 WeakPolarHBondContact O-CD1 3.16Å; K390-Y392 WeakPolarHBondContact O-CE1 3.23Å; Y392-M394 HydrophobicContact CD2-CB 4.13Å; Y392-M394 HydrophobicContact CE2-CB 4.01Å; Y392-M394 HydrophobicContact CE2-CE 3.87Å; Y392-K400 HydrophobicContact CD1-CD 4.08Å; Y392-K400 HydrophobicContact CD2-CB 4.46Å; Y392-K400 HydrophobicContact CD2-CD 3.9Å; Y392-K400 HydrophobicContact CD2-CG 3.86Å; Y392-K400 HydrophobicContact CE1-CD 4.33Å; Y392-K400 HydrophobicContact CE2-CD 4.14Å; Y392-K400 HydrophobicContact CE2-CG 4.24Å; Y392-K400 HydrophobicContact CG-CD 3.89Å; Y392-K400 HydrophobicContact CG-CG 4.22Å; Y392-L401 CarbonylContact C-O 3.55Å; Y392-L401 VanDerWaalsContact CA-O 3.26Å; Y392-L401 WeakPolarHBondContact CA-O 3.26Å; Y392-L401 WeakPolarHBondContact CB-O 3.36Å; Y392-F423 WeakPolarHBondContact O-CD2 3.12Å; Y392-L424 HydrophobicContact CE2-CB 4.41Å; Y392-L424 HydrophobicContact CE2-CD1 3.87Å; Y392-L424 PolarHBondContact N-O 2.79Å; Y392-L424 PolarHBondContact O-N 2.62Å; Y392-L424 VanDerWaalsContact OH-CD1 3.27Å; Y392-L424 WeakPolarHBondContact OH-CD1 3.27Å
393	V	93.7	Very high	84.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.6	163.3	-171.9	0	0	0	0	109.3	F372 L375 L377 I395 K400 L401 L421 F423 F434	F372-V393 HydrophobicContact CE1-CG1 4.45Å; F372-V393 HydrophobicContact CZ-CG1 4.19Å; L375-V393 HydrophobicContact CD1-CG2 4.09Å; L377-V393 HydrophobicContact CD1-CG2 3.95Å; V393-I395 HydrophobicContact CG1-CG1 4.14Å; V393-K400 CarbonylContact O-C 3.52Å; V393-K400 WeakPolarHBondContact O-CA 3.23Å; V393-L401 HydrophobicContact CB-CB 4.47Å; V393-L401 PolarHBondContact N-O 3.28Å; V393-L401 PolarHBondContact O-N 2.81Å; V393-L421 HydrophobicContact CG1-CD2 4.29Å; V393-F423 HydrophobicContact CG2-CB 4.5Å; V393-F423 HydrophobicContact CG2-CD2 4.04Å; V393-F434 HydrophobicContact CG2-CD1 3.87Å; V393-F434 HydrophobicContact CG2-CE1 3.22Å; V393-F434 HydrophobicContact CG2-CZ 3.67Å
394	M	93.2	Very high	84.9	Confident	39 Å²	39	59.6 Å²	59.6	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.5	171.3	-174.6	175.2	-70.6	0	0	110.4	Y392 K397 K399 K400 L421 E422	Y392-M394 HydrophobicContact CD2-CB 4.13Å; Y392-M394 HydrophobicContact CE2-CB 4.01Å; Y392-M394 HydrophobicContact CE2-CE 3.87Å; M394-K397 HydrophobicContact SD-CB 4.4Å; M394-K399 CarbonylContact C-O 3.53Å; M394-K399 VanDerWaalsContact CA-O 3.31Å; M394-K399 WeakPolarHBondContact CA-O 3.08Å; M394-K400 HydrophobicContact CE-CG 4.24Å; M394-L421 CarbonylContact O-C 3.55Å; M394-L421 WeakPolarHBondContact O-CA 3.41Å; M394-E422 HydrophobicContact CB-CB 4.41Å; M394-E422 PolarHBondContact N-O 2.81Å; M394-E422 PolarHBondContact O-N 2.87Å
395	I	92.5	Very high	85.4	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.2	-177.2	-57.3	-179.7	0	0	0	108.9	F372 V393 K397 N398 K399 L401 E412 M419 L421	F372-I395 HydrophobicContact CE2-CD1 3.83Å; F372-I395 HydrophobicContact CZ-CD1 4.01Å; V393-I395 HydrophobicContact CG1-CG1 4.14Å; I395-K397 PolarHBondContact O-N 3.02Å; I395-N398 PolarHBondContact O-N 2.86Å; I395-K399 HydrophobicContact CB-CB 4.48Å; I395-K399 PolarHBondContact N-O 3.03Å; I395-K399 PolarHBondContact O-N 2.84Å; I395-K399 VanDerWaalsContact O-N 3.14Å; I395-L401 HydrophobicContact CD1-CD1 3.58Å; I395-L401 HydrophobicContact CD1-CG 4.16Å; I395-E412 HydrophobicContact CD1-CB 4.46Å; I395-E412 HydrophobicContact CD1-CG 3.62Å; I395-E412 HydrophobicContact CG2-CB 4.43Å; I395-E412 HydrophobicContact CG2-CG 4.4Å; I395-M419 HydrophobicContact CG2-CE 3.71Å; I395-L421 HydrophobicContact CD1-CD2 4.16Å; I395-L421 HydrophobicContact CG1-CD2 3.96Å; I395-L421 HydrophobicContact CG1-CG 4.31Å
396	D	89.7	Confident	85.3	Confident	47 Å²	47	61.2 Å²	61.2	25%	0.251	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	36.5	-176.5	-72.1	-27.9	0	0	0	114	N398 T420	D396-N398 PolarHBondContact O-N 2.68Å; D396-N398 PolarHBondContact O-ND2 3.08Å; D396-T420 PolarHBondContact N-O 3.48Å; D396-T420 PolarHBondContact OD1-N 2.89Å; D396-T420 PolarHBondContact OD1-OG1 2.92Å
397	K	86.3	Confident	84.7	Confident	161 Å²	161	63 Å²	63	70%	0.7	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	12	-179.8	-57	-179.1	-178.8	178.2	0	115.9	M394 I395	M394-K397 HydrophobicContact SD-CB 4.4Å; I395-K397 PolarHBondContact O-N 3.02Å
398	N	85.2	Confident	83.6	Confident	155 Å²	155	59.6 Å²	59.6	83%	0.829	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-29.7	-171.7	-72.7	-60.8	0	0	0	113.8	I395 D396	I395-N398 PolarHBondContact O-N 2.86Å; D396-N398 PolarHBondContact O-N 2.68Å; D396-N398 PolarHBondContact O-ND2 3.08Å
399	K	88.6	Confident	83	Confident	93 Å²	93	63.8 Å²	63.8	40%	0.404	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132	-178.1	-165.1	179.3	-163.1	178.5	0	110.1	M394 I395 L401 E412	M394-K399 CarbonylContact C-O 3.53Å; M394-K399 VanDerWaalsContact CA-O 3.31Å; M394-K399 WeakPolarHBondContact CA-O 3.08Å; I395-K399 HydrophobicContact CB-CB 4.48Å; I395-K399 PolarHBondContact N-O 3.03Å; I395-K399 PolarHBondContact O-N 2.84Å; I395-K399 VanDerWaalsContact O-N 3.14Å; K399-L401 HydrophobicContact CD-CD2 4.39Å; K399-E412 HydrophobicContact CD-CG 4.48Å; K399-E412 VanDerWaalsContact CD-OE2 3.28Å; K399-E412 WeakPolarHBondContact CD-OE2 3.34Å; K399-E412 IonicContact NZ-OE1 3.19Å; K399-E412 PolarHBondContact NZ-OE1 3.39Å; K399-E412 IonicContact NZ-OE2 2.68Å; K399-E412 PolarHBondContact NZ-OE2 2.85Å
400	K	90.9	Very high	83	Confident	73 Å²	73	59.6 Å²	59.6	32%	0.317	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.8	167.6	-70.3	-171.8	174	-172.7	0	109.7	C388 D389 Y392 V393 M394	C388-K400 HydrophobicContact CB-CB 3.93Å; C388-K400 HydrophobicContact CB-CD 3.85Å; C388-K400 VanDerWaalsContact O-CD 3.24Å; C388-K400 WeakPolarHBondContact O-CD 3.38Å; C388-K400 PolarHBondContact O-NZ 2.85Å; D389-K400 IonicContact OD1-NZ 2.89Å; Y392-K400 HydrophobicContact CD1-CD 4.08Å; Y392-K400 HydrophobicContact CD2-CB 4.46Å; Y392-K400 HydrophobicContact CD2-CD 3.9Å; Y392-K400 HydrophobicContact CD2-CG 3.86Å; Y392-K400 HydrophobicContact CE1-CD 4.33Å; Y392-K400 HydrophobicContact CE2-CD 4.14Å; Y392-K400 HydrophobicContact CE2-CG 4.24Å; Y392-K400 HydrophobicContact CG-CD 3.89Å; Y392-K400 HydrophobicContact CG-CG 4.22Å; V393-K400 CarbonylContact O-C 3.52Å; V393-K400 WeakPolarHBondContact O-CA 3.23Å; M394-K400 HydrophobicContact CE-CG 4.24Å
401	L	89.9	Confident	82.9	Confident	18 Å²	18	58.6 Å²	58.6	9%	0.094	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.7	168.2	-58.7	-179.4	0	0	0	108.8	F372 L375 Y392 V393 I395 K399 I410	F372-L401 HydrophobicContact CD2-CD1 4.22Å; F372-L401 HydrophobicContact CE2-CD1 3.86Å; F372-L401 HydrophobicContact CZ-CD1 4.32Å; L375-L401 HydrophobicContact CD1-CB 4.39Å; Y392-L401 CarbonylContact C-O 3.55Å; Y392-L401 VanDerWaalsContact CA-O 3.26Å; Y392-L401 WeakPolarHBondContact CA-O 3.26Å; Y392-L401 WeakPolarHBondContact CB-O 3.36Å; V393-L401 HydrophobicContact CB-CB 4.47Å; V393-L401 PolarHBondContact N-O 3.28Å; V393-L401 PolarHBondContact O-N 2.81Å; I395-L401 HydrophobicContact CD1-CD1 3.58Å; I395-L401 HydrophobicContact CD1-CG 4.16Å; K399-L401 HydrophobicContact CD-CD2 4.39Å; L401-I410 HydrophobicContact CD1-CG2 4.04Å
402	C	89.4	Confident	82.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.304	C	S	.	.			trans	-156.5	170.5	179.8	70.4	0	0	0	0	111.2	Q382 G385 C388 D391 H405	Q382-C402 HydrophobicContact CG-CB 4.5Å; G385-C402 PolarHBondContact N-O 3.03Å; C388-C402 WeakPolarHBondContact CA-SG 3.39Å; C388-C402 HydrophobicContact CB-CB 3.6Å; C388-C402 WeakPolarHBondContact CB-SG 3.5Å; C388-C402 WeakPolarHBondContact SG-CB 3.36Å; C388-C402 CovalentContact SG-SG 2.03Å; C388-C402 PolarHBondContact SG-SG 2.87Å; D391-C402 VanDerWaalsContact O-CB 3.23Å; D391-C402 WeakPolarHBondContact O-CB 3.44Å; C402-H405 PolarHBondContact O-NE2 3.22Å
403	G	85.5	Confident	82.5	Confident	1 Å²	1	62 Å²	62	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-160.5	-178.3	0	0	0	0	0	112.8	L377 N384	L377-G403 CarbonylContact C-O 3.59Å; L377-G403 PolarHBondContact N-O 3.13Å; L377-G403 VanDerWaalsContact O-CA 3.29Å; L377-G403 WeakPolarHBondContact O-CA 3.29Å; L377-G403 PolarHBondContact O-N 2.85Å; N384-G403 WeakPolarHBondContact OD1-CA 3.48Å
404	D	80.5	Confident	82.3	Confident	34 Å²	34	62.4 Å²	62.4	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.1	-170.4	-173.4	-2.6	0	0	0	111.4	L376 A378 N384 K406	L376-D404 WeakPolarHBondContact CD2-OD1 3.29Å; A378-D404 HydrophobicContact CB-CB 4.06Å; N384-D404 PolarHBondContact ND2-O 3.16Å; N384-D404 PolarHBondContact OD1-N 3.33Å; D404-K406 VanDerWaalsContact OD1-CD 3.26Å; D404-K406 WeakPolarHBondContact OD1-CD 3.04Å; D404-K406 VanDerWaalsContact OD1-CE 3.3Å; D404-K406 WeakPolarHBondContact OD1-CE 3.38Å; D404-K406 VanDerWaalsContact OD1-CG 3.27Å; D404-K406 WeakPolarHBondContact OD1-CG 3.39Å; D404-K406 IonicContact OD1-NZ 3.51Å; D404-K406 WeakPolarHBondContact OD2-CD 3.21Å; D404-K406 WeakPolarHBondContact OD2-CE 3.3Å; D404-K406 IonicContact OD2-NZ 2.88Å; D404-K406 PolarHBondContact OD2-NZ 2.94Å
405	H	79.3	Confident	82	Confident	48 Å²	48	70.2 Å²	70.2	22%	0.222	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	78.6	179.3	-56.4	-101.4	0	0	0	109.1	L375 C402 I410	L375-H405 HydrophobicContact CB-CB 4.37Å; L375-H405 PolarHBondContact N-O 3.43Å; L375-H405 PolarHBondContact O-N 3.3Å; C402-H405 PolarHBondContact O-NE2 3.22Å; H405-I410 HydrophobicContact CB-CD1 3.7Å
406	K	62.3	Low	81.9	Confident	129 Å²	129	73.5 Å²	73.5	56%	0.561	37%	0.371	S	S	*	.			trans	-72.4	-34.3	173.7	-84.5	151.2	-178.1	165.5	0	113.2	L376 D404	L376-K406 HydrophobicContact CD2-CG 4.08Å; D404-K406 VanDerWaalsContact OD1-CD 3.26Å; D404-K406 WeakPolarHBondContact OD1-CD 3.04Å; D404-K406 VanDerWaalsContact OD1-CE 3.3Å; D404-K406 WeakPolarHBondContact OD1-CE 3.38Å; D404-K406 VanDerWaalsContact OD1-CG 3.27Å; D404-K406 WeakPolarHBondContact OD1-CG 3.39Å; D404-K406 IonicContact OD1-NZ 3.51Å; D404-K406 WeakPolarHBondContact OD2-CD 3.21Å; D404-K406 WeakPolarHBondContact OD2-CE 3.3Å; D404-K406 IonicContact OD2-NZ 2.88Å; D404-K406 PolarHBondContact OD2-NZ 2.94Å
407	D	54.5	Low	82	Confident	161 Å²	161	73.2 Å²	73.2	86%	0.861	37%	0.37	S	S	*	.	S	Bend	trans	-110	105.5	-171.5	-60.3	-47.4	0	0	0	112.3
408	G	54.3	Low	82.4	Confident	51 Å²	51	70 Å²	70	53%	0.526	36%	0.356	S	S	.	.	S	Bend	trans	102.4	149.8	172.4	0	0	0	0	0	114.9	I410	G408-I410 PolarHBondContact O-N 2.92Å
409	N	71.6	Confident	82.8	Confident	100 Å²	100	62.9 Å²	62.9	54%	0.535	32%	0.318	S	S	.	.			trans	-79.8	113.4	176.4	-70.5	-24.1	0	0	0	110	T371 F372	T371-N409 HydrophobicContact CG2-CB 3.78Å; F372-N409 WeakPolarHBondContact O-CA 3.34Å
410	I	82.5	Confident	83.1	Confident	34 Å²	34	61 Å²	61	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.3	167.4	-58	168.4	0	0	0	108	T371 F372 L401 H405 G408	T371-I410 CarbonylContact C-O 3.59Å; T371-I410 WeakPolarHBondContact CA-O 3.26Å; F372-I410 HydrophobicContact CB-CB 4.39Å; F372-I410 HydrophobicContact CD2-CB 4.48Å; F372-I410 HydrophobicContact CD2-CG2 4.48Å; F372-I410 PolarHBondContact N-O 2.81Å; F372-I410 PolarHBondContact O-N 2.77Å; L401-I410 HydrophobicContact CD1-CG2 4.04Å; H405-I410 HydrophobicContact CB-CD1 3.7Å; G408-I410 PolarHBondContact O-N 2.92Å
411	F	85.9	Confident	83.3	Confident	44 Å²	44	57.6 Å²	57.6	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.2	173.5	67	-82.9	0	0	0	112.5	K369 V370 T371 I413 L457	K369-F411 HydrophobicContact CD-CD2 4.46Å; K369-F411 HydrophobicContact CG-CB 4.43Å; V370-F411 CarbonylContact O-C 3.5Å; V370-F411 WeakPolarHBondContact O-CA 3.27Å; V370-F411 WeakPolarHBondContact O-CB 3.43Å; T371-F411 HydrophobicContact CG2-CB 4.37Å; F411-I413 HydrophobicContact CD2-CD1 4.43Å; F411-I413 HydrophobicContact CD2-CG1 4.27Å; F411-I413 HydrophobicContact CE2-CD1 4.35Å; F411-L457 HydrophobicContact CD1-CD2 4.39Å; F411-L457 HydrophobicContact CE1-CD2 3.48Å; F411-L457 VanDerWaalsContact CE1-CD2 3.48Å; F411-L457 HydrophobicContact CE1-CG 3.9Å; F411-L457 HydrophobicContact CZ-CD2 3.89Å; F411-L457 HydrophobicContact CZ-CG 3.95Å
412	E	88.5	Confident	83.5	Confident	33 Å²	33	58.9 Å²	58.9	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.2	172.1	-57.9	-56.3	138.9	0	0	109.8	K369 V370 I395 K399 M419	K369-E412 CarbonylContact C-O 3.23Å; K369-E412 VanDerWaalsContact CA-O 3.31Å; K369-E412 WeakPolarHBondContact CA-O 3.34Å; V370-E412 PolarHBondContact N-O 3.25Å; V370-E412 PolarHBondContact O-N 2.04Å; I395-E412 HydrophobicContact CD1-CB 4.46Å; I395-E412 HydrophobicContact CD1-CG 3.62Å; I395-E412 HydrophobicContact CG2-CB 4.43Å; I395-E412 HydrophobicContact CG2-CG 4.4Å; K399-E412 HydrophobicContact CD-CG 4.48Å; K399-E412 VanDerWaalsContact CD-OE2 3.28Å; K399-E412 WeakPolarHBondContact CD-OE2 3.34Å; K399-E412 IonicContact NZ-OE1 3.19Å; K399-E412 PolarHBondContact NZ-OE1 3.39Å; K399-E412 IonicContact NZ-OE2 2.68Å; K399-E412 PolarHBondContact NZ-OE2 2.85Å; E412-M419 HydrophobicContact CB-CE 3.75Å
413	I	88.3	Confident	83.8	Confident	76 Å²	76	58.9 Å²	58.9	39%	0.39	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.6	177.4	-54.2	177.9	0	0	0	108.7	V367 V368 K369 F411	V367-I413 HydrophobicContact CB-CG2 4.41Å; V367-I413 HydrophobicContact CG2-CG2 3.85Å; V368-I413 CarbonylContact O-C 3.57Å; V368-I413 WeakPolarHBondContact O-CA 3.28Å; K369-I413 HydrophobicContact CB-CG1 4.1Å; K369-I413 HydrophobicContact CD-CG1 4.39Å; K369-I413 HydrophobicContact CG-CG1 4Å; F411-I413 HydrophobicContact CD2-CD1 4.43Å; F411-I413 HydrophobicContact CD2-CG1 4.27Å; F411-I413 HydrophobicContact CE2-CD1 4.35Å
414	S	90.1	Very high	84.2	Confident	7 Å²	7	60.6 Å²	60.6	5%	0.049	31%	0.314	C	S	.	.			trans	-71.9	152.6	175.7	176.5	0	0	0	0	111.6	V367 V368 T416 K418	V367-S414 WeakPolarHBondContact CB-O 3.45Å; V368-S414 PolarHBondContact O-N 3.22Å; S414-T416 PolarHBondContact O-N 2.88Å; S414-T416 PolarHBondContact OG-N 3.26Å; S414-T416 PolarHBondContact OG-O 2.83Å; S414-K418 WeakPolarHBondContact CB-O 3.25Å; S414-K418 PolarHBondContact OG-O 3.47Å
415	K	86.6	Confident	84.8	Confident	203 Å²	203	59.5 Å²	59.5	88%	0.883	31%	0.308	S	S	*	.	S	Bend	trans	-76.5	-9.2	171.5	-61.7	176.5	-177.1	173.6	0	113.2
416	T	90.3	Very high	85.3	Confident	75 Å²	75	59.2 Å²	59.2	46%	0.46	31%	0.309	S	S	.	.	S	Bend	trans	-138.7	178	-174.3	76.4	0	0	0	0	111.3	V367 V368 S414 K418	V367-T416 WeakPolarHBondContact CA-O 2.89Å; V368-T416 PolarHBondContact N-O 3.41Å; S414-T416 PolarHBondContact O-N 2.88Å; S414-T416 PolarHBondContact OG-N 3.26Å; S414-T416 PolarHBondContact OG-O 2.83Å; T416-K418 PolarHBondContact O-N 3.45Å; T416-K418 VanDerWaalsContact O-N 3.16Å; T416-K418 PolarHBondContact OG1-N 2.95Å; T416-K418 PolarHBondContact OG1-O 3.13Å
417	N	91.8	Very high	86.5	Confident	42 Å²	42	56.4 Å²	56.4	23%	0.225	30%	0.297	C	S	.	.	S	Bend	trans	-73.5	6.8	171.4	80.4	-61.1	0	0	0	113.6	E361 V362 K366	E361-N417 WeakPolarHBondContact CA-O 3.28Å; V362-N417 HydrophobicContact CG2-CB 3.9Å; V362-N417 WeakPolarHBondContact CG2-O 3.09Å; V362-N417 PolarHBondContact N-O 2.85Å; V362-N417 PolarHBondContact O-ND2 3.45Å; K366-N417 WeakPolarHBondContact O-CA 3Å; K366-N417 WeakPolarHBondContact O-CB 3.47Å; K366-N417 PolarHBondContact O-N 2.85Å
418	K	93.4	Very high	88.1	Confident	93 Å²	93	49.3 Å²	49.3	40%	0.404	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.2	176	-54.4	-165.8	-175.5	-144.2	0	111.5	I360 E361 S414 T416	I360-K418 CarbonylContact O-C 3.5Å; I360-K418 WeakPolarHBondContact O-CA 3.38Å; E361-K418 HydrophobicContact CB-CG 4.46Å; E361-K418 HydrophobicContact CG-CD 4.48Å; E361-K418 HydrophobicContact CG-CG 4.28Å; E361-K418 WeakPolarHBondContact OE1-CE 3.36Å; E361-K418 IonicContact OE1-NZ 2.66Å; E361-K418 PolarHBondContact OE1-NZ 3.06Å; E361-K418 IonicContact OE2-NZ 2.7Å; E361-K418 PolarHBondContact OE2-NZ 2.83Å; S414-K418 WeakPolarHBondContact CB-O 3.25Å; S414-K418 PolarHBondContact OG-O 3.47Å; T416-K418 PolarHBondContact O-N 3.45Å; T416-K418 VanDerWaalsContact O-N 3.16Å; T416-K418 PolarHBondContact OG1-N 2.95Å; T416-K418 PolarHBondContact OG1-O 3.13Å
419	M	94.4	Very high	89.8	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.6	174.6	-165.4	172.4	-136.9	0	0	109.5	I360 V368 V370 I395 E412 L421	I360-M419 HydrophobicContact CB-CB 4.4Å; I360-M419 PolarHBondContact N-O 3.33Å; I360-M419 PolarHBondContact O-N 2.91Å; V368-M419 HydrophobicContact CB-CB 3.85Å; V368-M419 HydrophobicContact CB-SD 4.24Å; V368-M419 HydrophobicContact CG1-CB 3.95Å; V368-M419 HydrophobicContact CG1-SD 4.07Å; V368-M419 HydrophobicContact CG2-CB 3.88Å; V370-M419 HydrophobicContact CB-SD 4.19Å; V370-M419 HydrophobicContact CG2-SD 3.55Å; V370-M419 VanDerWaalsContact CG2-SD 3.55Å; I395-M419 HydrophobicContact CG2-CE 3.71Å; E412-M419 HydrophobicContact CB-CE 3.75Å; M419-L421 HydrophobicContact CG-CD1 4.17Å; M419-L421 HydrophobicContact SD-CD1 4.49Å
420	T	95.1	Very high	90.7	Very high	53 Å²	53	44.3 Å²	44.3	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.4	179.9	50	0	0	0	0	110.3	W358 E359 D396	W358-T420 WeakPolarHBondContact O-CA 3.27Å; E359-T420 HydrophobicContact CG-CG2 4.49Å; D396-T420 PolarHBondContact N-O 3.48Å; D396-T420 PolarHBondContact OD1-N 2.89Å; D396-T420 PolarHBondContact OD1-OG1 2.92Å
421	L	95.1	Very high	91.1	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136	175	-61.3	95.8	0	0	0	109.8	F341 D357 W358 I360 V370 F372 V393 M394 I395 M419	F341-L421 HydrophobicContact CE2-CD2 4.18Å; F341-L421 HydrophobicContact CZ-CD1 4.17Å; F341-L421 HydrophobicContact CZ-CD2 3.9Å; D357-L421 WeakPolarHBondContact CA-O 3.32Å; W358-L421 HydrophobicContact CB-CB 4.42Å; W358-L421 HydrophobicContact CE3-CB 4.04Å; W358-L421 PolarHBondContact N-O 2.95Å; W358-L421 PolarHBondContact O-N 3.38Å; I360-L421 HydrophobicContact CD1-CD1 3.59Å; I360-L421 HydrophobicContact CG1-CD1 4.24Å; V370-L421 HydrophobicContact CG1-CD2 4.17Å; V370-L421 HydrophobicContact CG2-CD1 4.17Å; F372-L421 HydrophobicContact CE2-CD2 4.49Å; F372-L421 HydrophobicContact CZ-CD2 3.77Å; V393-L421 HydrophobicContact CG1-CD2 4.29Å; M394-L421 CarbonylContact O-C 3.55Å; M394-L421 WeakPolarHBondContact O-CA 3.41Å; I395-L421 HydrophobicContact CD1-CD2 4.16Å; I395-L421 HydrophobicContact CG1-CD2 3.96Å; I395-L421 HydrophobicContact CG1-CG 4.31Å; M419-L421 HydrophobicContact CG-CD1 4.17Å; M419-L421 HydrophobicContact SD-CD1 4.49Å
422	E	94.8	Very high	91.3	Very high	44 Å²	44	45.1 Å²	45.1	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	111.8	178.8	179	174.3	170.5	0	0	108.6	K355 C356 M394 L424	K355-E422 WeakPolarHBondContact CE-OE1 3.37Å; K355-E422 VanDerWaalsContact NZ-CD 3.3Å; K355-E422 IonicContact NZ-OE1 2.66Å; K355-E422 PolarHBondContact NZ-OE1 3.4Å; K355-E422 IonicContact NZ-OE2 2.79Å; C356-E422 CarbonylContact O-C 3.23Å; C356-E422 WeakPolarHBondContact O-CA 3.39Å; M394-E422 HydrophobicContact CB-CB 4.41Å; M394-E422 PolarHBondContact N-O 2.81Å; M394-E422 PolarHBondContact O-N 2.87Å; E422-L424 HydrophobicContact CG-CD1 4.33Å; E422-L424 HydrophobicContact CG-CG 4.2Å
423	F	95.1	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.9	170.9	170.2	-113.8	0	0	0	109.7	T343 Y350 I354 K355 C356 W358 L377 Y392 V393 F434	T343-F423 HydrophobicContact CG2-CD1 3.97Å; T343-F423 HydrophobicContact CG2-CE1 3.88Å; T343-F423 HydrophobicContact CG2-CG 4.37Å; T343-F423 HydrophobicContact CG2-CZ 4.2Å; Y350-F423 HydrophobicContact CD1-CZ 4.17Å; Y350-F423 HydrophobicContact CD2-CE1 4.16Å; Y350-F423 AromaticContact CD2-CZ 3.77Å; Y350-F423 HydrophobicContact CD2-CZ 3.77Å; Y350-F423 HydrophobicContact CE1-CZ 4.31Å; Y350-F423 AromaticContact CE2-CZ 3.91Å; Y350-F423 HydrophobicContact CE2-CZ 3.91Å; Y350-F423 HydrophobicContact CG-CE1 4.18Å; Y350-F423 AromaticContact CG-CZ 3.92Å; Y350-F423 HydrophobicContact CG-CZ 3.92Å; I354-F423 HydrophobicContact CG2-CD1 4.34Å; I354-F423 HydrophobicContact CG2-CE1 3.89Å; K355-F423 WeakPolarHBondContact CA-O 3.49Å; C356-F423 HydrophobicContact CB-CB 4.26Å; C356-F423 HydrophobicContact CB-CD1 4.37Å; C356-F423 PolarHBondContact N-O 3.45Å; C356-F423 PolarHBondContact O-N 2.71Å; W358-F423 HydrophobicContact CH2-CB 3.98Å; W358-F423 HydrophobicContact CZ3-CB 3.66Å; L377-F423 HydrophobicContact CD1-CD2 4.32Å; L377-F423 HydrophobicContact CD1-CE2 3.96Å; L377-F423 HydrophobicContact CD2-CD2 4.49Å; L377-F423 HydrophobicContact CD2-CE2 3.54Å; L377-F423 HydrophobicContact CD2-CZ 3.98Å; L377-F423 HydrophobicContact CG-CE2 4.45Å; Y392-F423 WeakPolarHBondContact O-CD2 3.12Å; V393-F423 HydrophobicContact CG2-CB 4.5Å; V393-F423 HydrophobicContact CG2-CD2 4.04Å; F423-F434 HydrophobicContact CB-CE1 4.23Å; F423-F434 HydrophobicContact CB-CZ 4.2Å; F423-F434 AromaticContact CD2-CE1 3.88Å; F423-F434 HydrophobicContact CD2-CE1 3.88Å; F423-F434 HydrophobicContact CE2-CE1 4.47Å; F423-F434 HydrophobicContact CG-CE1 4.02Å; F423-F434 HydrophobicContact CG-CZ 4.44Å
424	L	93.5	Very high	91.6	Very high	38 Å²	38	40 Å²	40	20%	0.199	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.5	177.3	-70.8	166.9	0	0	0	108.6	I354 K355 D391 Y392 E422	I354-L424 WeakPolarHBondContact O-CA 3.34Å; K355-L424 HydrophobicContact CB-CD2 3.69Å; K355-L424 HydrophobicContact CD-CD2 3.95Å; K355-L424 HydrophobicContact CG-CD2 3.71Å; D391-L424 WeakPolarHBondContact CA-O 3.38Å; Y392-L424 HydrophobicContact CE2-CB 4.41Å; Y392-L424 HydrophobicContact CE2-CD1 3.87Å; Y392-L424 PolarHBondContact N-O 2.79Å; Y392-L424 PolarHBondContact O-N 2.62Å; Y392-L424 VanDerWaalsContact OH-CD1 3.27Å; Y392-L424 WeakPolarHBondContact OH-CD1 3.27Å; E422-L424 HydrophobicContact CG-CD1 4.33Å; E422-L424 HydrophobicContact CG-CG 4.2Å
425	S	93.3	Very high	91.7	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	21%	0.211	C	C	.	.			trans	-106.4	155.7	163	62.6	0	0	0	0	111.6	P351 N353 I354 D391	P351-S425 PolarHBondContact O-OG 2.92Å; N353-S425 WeakPolarHBondContact CA-O 3.36Å; N353-S425 PolarHBondContact N-OG 2.91Å; N353-S425 VanDerWaalsContact N-OG 3.11Å; I354-S425 PolarHBondContact N-OG 2.99Å; I354-S425 PolarHBondContact O-N 3.12Å; D391-S425 WeakPolarHBondContact OD1-CA 3.45Å
426	D	90.1	Very high	91.9	Very high	42 Å²	42	34 Å²	34	23%	0.225	17%	0.169	C	C	.	.			trans	-96	-168.3	174.6	91.2	10.8	0	0	0	112.1	P352 N353 D391 S428	P352-D426 CarbonylContact C-O 3.58Å; P352-D426 WeakPolarHBondContact CA-O 3.05Å; P352-D426 WeakPolarHBondContact CB-O 3.19Å; N353-D426 PolarHBondContact N-O 2.92Å; D391-D426 PolarHBondContact OD1-N 2.69Å; D426-S428 VanDerWaalsContact C-N 3.32Å; D426-S428 WeakPolarHBondContact OD1-CA 3.39Å; D426-S428 VanDerWaalsContact OD1-CB 3.23Å; D426-S428 WeakPolarHBondContact OD1-CB 3.25Å; D426-S428 PolarHBondContact OD1-N 3.09Å; D426-S428 PolarHBondContact OD1-OG 3.46Å; D426-S428 PolarHBondContact OD2-OG 3.28Å
427	H	87.1	Confident	92.1	Very high	70 Å²	70	33 Å²	33	32%	0.324	16%	0.16	S	C	.	.	S	Bend	trans	-85.8	4.1	-176.2	-78.4	-80.5	0	0	0	114.8	D267 R275 N353	D267-H427 IonicContact OD2-ND1 2.64Å; R275-H427 WeakPolarHBondContact CA-O 3.27Å; N353-H427 VanDerWaalsContact CG-CE1 3.44Å; N353-H427 PolarHBondContact ND2-CE1 3.47Å; N353-H427 VanDerWaalsContact ND2-CE1 3.27Å
428	S	87.7	Confident	92.2	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.091	15%	0.151	C	C	.	.	S	Bend	trans	-108.6	-142.7	-169.2	-14.1	0	0	0	0	111.7	A276 L277 E379 D426	A276-S428 CarbonylContact O-C 3.59Å; L277-S428 WeakPolarHBondContact CD2-O 3.37Å; E379-S428 WeakPolarHBondContact OE1-CB 3.49Å; D426-S428 VanDerWaalsContact C-N 3.32Å; D426-S428 WeakPolarHBondContact OD1-CA 3.39Å; D426-S428 VanDerWaalsContact OD1-CB 3.23Å; D426-S428 WeakPolarHBondContact OD1-CB 3.25Å; D426-S428 PolarHBondContact OD1-N 3.09Å; D426-S428 PolarHBondContact OD1-OG 3.46Å; D426-S428 PolarHBondContact OD2-OG 3.28Å
429	Y	89.7	Confident	92.2	Very high	40 Å²	40	30.9 Å²	30.9	16%	0.157	15%	0.149	C	C	.	.			trans	-64	139.3	-170.2	-84.8	-96.1	0	0	0	111.3	K264 A276 L277 P380	K264-Y429 WeakPolarHBondContact CE-OH 3.46Å; K264-Y429 PolarHBondContact NZ-OH 3.48Å; A276-Y429 HydrophobicContact CB-CD2 4.28Å; A276-Y429 HydrophobicContact CB-CE1 4.46Å; A276-Y429 HydrophobicContact CB-CE2 3.73Å; A276-Y429 VanDerWaalsContact O-CA 3.29Å; A276-Y429 WeakPolarHBondContact O-CA 3.43Å; A276-Y429 PolarHBondContact O-N 2.86Å; L277-Y429 WeakPolarHBondContact O-CA 3.43Å; P380-Y429 HydrophobicContact CG-CD2 4.18Å; P380-Y429 HydrophobicContact CG-CE2 4.24Å; P380-Y429 HydrophobicContact CG-CG 4.41Å
430	V	91.9	Very high	92.1	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.036	15%	0.153	C	C	.	.			trans	-117.9	149.1	179.6	-63.1	0	0	0	0	110.4	L277 Y349 Y350 P352	L277-V430 HydrophobicContact CB-CG2 4.22Å; L277-V430 HydrophobicContact CD2-CG1 4.34Å; L277-V430 PolarHBondContact O-N 3.32Å; Y349-V430 HydrophobicContact CD1-CG2 4.06Å; Y349-V430 WeakPolarHBondContact CD1-O 3.49Å; Y349-V430 WeakPolarHBondContact CE1-O 3.41Å; Y349-V430 HydrophobicContact CG-CG2 4.45Å; Y350-V430 HydrophobicContact CD2-CB 4.06Å; Y350-V430 HydrophobicContact CD2-CG1 3.94Å; Y350-V430 HydrophobicContact CE2-CB 3.75Å; Y350-V430 HydrophobicContact CE2-CG1 3.67Å; Y350-V430 WeakPolarHBondContact O-CB 3.29Å; Y350-V430 WeakPolarHBondContact O-CG1 3.31Å; P352-V430 HydrophobicContact CB-CG1 4.19Å
431	D	91.3	Very high	91.6	Very high	24 Å²	24	30 Å²	30	13%	0.128	14%	0.144	C	C	.	.			trans	-121.5	-178.1	177.6	-169.2	-1.9	0	0	0	109.8	Y349 Y350 L376 L377 A378 G433	Y349-D431 VanDerWaalsContact CA-O 3.29Å; Y349-D431 WeakPolarHBondContact CA-O 3.47Å; Y350-D431 WeakPolarHBondContact CD1-O 3.41Å; Y350-D431 HydrophobicContact CE1-CB 4.07Å; Y350-D431 WeakPolarHBondContact CE1-O 3.47Å; Y350-D431 VanDerWaalsContact CZ-N 3.34Å; Y350-D431 PolarHBondContact N-O 3.2Å; Y350-D431 PolarHBondContact OH-N 3.31Å; L376-D431 WeakPolarHBondContact CA-OD2 3.2Å; L376-D431 WeakPolarHBondContact CB-OD2 3.36Å; L376-D431 WeakPolarHBondContact O-CB 3.49Å; L377-D431 PolarHBondContact N-OD2 2.78Å; A378-D431 VanDerWaalsContact CB-OD2 3.26Å; A378-D431 WeakPolarHBondContact CB-OD2 3.36Å; A378-D431 PolarHBondContact N-OD2 3.45Å; D431-G433 PolarHBondContact O-N 3.16Å
432	R	89.7	Confident	90.8	Very high	71 Å²	71	33 Å²	33	27%	0.268	16%	0.16	S	C	.	.			trans	-70.5	-9	-177.2	-64.3	-179.1	-179.4	-114.1	10.6	114.2	F346 L376	F346-R432 VanDerWaalsContact CD2-O 3.32Å; F346-R432 WeakPolarHBondContact CD2-O 3.19Å; L376-R432 HydrophobicContact CB-CB 4.47Å; L376-R432 HydrophobicContact CD1-CB 3.96Å
433	G	90.6	Very high	89.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.5	-143	174.2	0	0	0	0	0	114	L376 D431	L376-G433 WeakPolarHBondContact CB-O 3.46Å; L376-G433 PolarHBondContact N-O 3.14Å; L376-G433 WeakPolarHBondContact O-CA 3.39Å; L376-G433 PolarHBondContact O-N 2.84Å; D431-G433 PolarHBondContact O-N 3.16Å
434	F	91.9	Very high	88.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.3	-174.2	64.9	-94.9	0	0	0	113.5	F341 S342 T343 W358 F372 K374 L375 V393 F423 A436	F341-F434 HydrophobicContact CD2-CE2 4.36Å; F341-F434 HydrophobicContact CE2-CE2 4.14Å; S342-F434 CarbonylContact C-O 3.56Å; S342-F434 WeakPolarHBondContact CA-O 3.38Å; S342-F434 WeakPolarHBondContact CB-O 3.3Å; T343-F434 HydrophobicContact CG2-CD1 3.47Å; T343-F434 VanDerWaalsContact CG2-CD1 3.47Å; T343-F434 HydrophobicContact CG2-CE1 3.3Å; T343-F434 HydrophobicContact CG2-CE2 4.46Å; T343-F434 HydrophobicContact CG2-CG 4.11Å; T343-F434 HydrophobicContact CG2-CZ 3.85Å; T343-F434 PolarHBondContact N-O 2.95Å; T343-F434 PolarHBondContact OG1-N 2.8Å; T343-F434 PolarHBondContact OG1-O 2.89Å; W358-F434 HydrophobicContact CH2-CE2 4.34Å; W358-F434 AromaticContact CH2-CZ 3.87Å; W358-F434 HydrophobicContact CH2-CZ 3.87Å; W358-F434 AromaticContact CZ3-CZ 3.96Å; W358-F434 HydrophobicContact CZ3-CZ 3.96Å; F372-F434 HydrophobicContact CD1-CB 4.35Å; F372-F434 AromaticContact CD1-CD2 3.75Å; F372-F434 HydrophobicContact CD1-CD2 3.75Å; F372-F434 HydrophobicContact CD1-CE2 4.3Å; F372-F434 HydrophobicContact CD1-CG 4.1Å; F372-F434 AromaticContact CE1-CD2 3.69Å; F372-F434 HydrophobicContact CE1-CD2 3.69Å; F372-F434 AromaticContact CE1-CE2 3.76Å; F372-F434 HydrophobicContact CE1-CE2 3.76Å; F372-F434 HydrophobicContact CE1-CG 4.23Å; F372-F434 HydrophobicContact CE1-CZ 4.35Å; K374-F434 VanDerWaalsContact O-CB 3.27Å; K374-F434 WeakPolarHBondContact O-CB 3.23Å; L375-F434 HydrophobicContact CB-CB 4.49Å; L375-F434 HydrophobicContact CD1-CB 4.43Å; L375-F434 HydrophobicContact CD1-CD1 4.3Å; L375-F434 HydrophobicContact CD1-CG 4.42Å; L375-F434 HydrophobicContact CG-CB 4.47Å; V393-F434 HydrophobicContact CG2-CD1 3.87Å; V393-F434 HydrophobicContact CG2-CE1 3.22Å; V393-F434 HydrophobicContact CG2-CZ 3.67Å; F423-F434 HydrophobicContact CB-CE1 4.23Å; F423-F434 HydrophobicContact CB-CZ 4.2Å; F423-F434 AromaticContact CD2-CE1 3.88Å; F423-F434 HydrophobicContact CD2-CE1 3.88Å; F423-F434 HydrophobicContact CE2-CE1 4.47Å; F423-F434 HydrophobicContact CG-CE1 4.02Å; F423-F434 HydrophobicContact CG-CZ 4.44Å; F434-A436 HydrophobicContact CD2-CB 4.34Å
435	Q	91.5	Very high	86.7	Confident	82 Å²	82	42.6 Å²	42.6	38%	0.383	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.7	161.8	179.8	177.3	81.2	0	0	109	F346 K373	F346-Q435 HydrophobicContact CD1-CB 3.98Å; F346-Q435 HydrophobicContact CE1-CB 3.59Å; F346-Q435 HydrophobicContact CE1-CG 4.48Å; F346-Q435 HydrophobicContact CE2-CB 4.24Å; F346-Q435 HydrophobicContact CG-CB 4.47Å; F346-Q435 HydrophobicContact CZ-CB 3.74Å; K373-Q435 PolarHBondContact N-O 2.97Å
436	A	92.3	Very high	85.2	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.017	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.6	-178.8	0	0	0	0	0	111.1	T340 F341 V370 T371 F372 F434	T340-A436 WeakPolarHBondContact CA-O 3.27Å; F341-A436 HydrophobicContact CD1-CB 4.43Å; F341-A436 HydrophobicContact CD2-CB 4.38Å; F341-A436 HydrophobicContact CE1-CB 3.9Å; F341-A436 HydrophobicContact CE2-CB 3.87Å; F341-A436 HydrophobicContact CZ-CB 3.6Å; F341-A436 PolarHBondContact N-O 3.13Å; F341-A436 PolarHBondContact O-N 2.9Å; F341-A436 VanDerWaalsContact O-O 3.1Å; V370-A436 HydrophobicContact CG1-CB 4.08Å; T371-A436 CarbonylContact O-C 3.6Å; T371-A436 VanDerWaalsContact O-CA 3.28Å; T371-A436 WeakPolarHBondContact O-CA 3.39Å; F372-A436 HydrophobicContact CD1-CB 3.74Å; F372-A436 HydrophobicContact CE1-CB 3.91Å; F372-A436 HydrophobicContact CG-CB 4.23Å; F434-A436 HydrophobicContact CD2-CB 4.34Å
437	E	94.1	Very high	84	Confident	54 Å²	54	42.7 Å²	42.7	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.6	172.7	67.5	-169.6	167.8	0	0	110.5	G339 T340 V370 T371 K373	G339-E437 CarbonylContact O-C 3.6Å; G339-E437 WeakPolarHBondContact O-CA 3.33Å; T340-E437 HydrophobicContact CG2-CB 3.92Å; V370-E437 CarbonylContact C-O 3.44Å; V370-E437 WeakPolarHBondContact CA-O 3.41Å; T371-E437 PolarHBondContact N-O 2.79Å; T371-E437 PolarHBondContact O-N 3.42Å; K373-E437 WeakPolarHBondContact CE-OE1 3.39Å; K373-E437 WeakPolarHBondContact CE-OE2 3.43Å; K373-E437 IonicContact NZ-OE1 3.81Å; K373-E437 PolarHBondContact NZ-OE1 3.38Å; K373-E437 VanDerWaalsContact NZ-OE1 3.08Å; K373-E437 IonicContact NZ-OE2 2.84Å; K373-E437 PolarHBondContact NZ-OE2 3.21Å
438	Y	94.4	Very high	82.6	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.4	175	77.8	-94.6	0	0	0	111.3	L334 K338 G339 F341 I360 V362 K369	L334-Y438 HydrophobicContact CB-CE1 3.76Å; L334-Y438 HydrophobicContact CD1-CD1 4.25Å; L334-Y438 HydrophobicContact CD1-CE1 3.94Å; L334-Y438 HydrophobicContact CG-CE1 4.34Å; K338-Y438 CarbonylContact C-O 3.59Å; K338-Y438 VanDerWaalsContact CA-O 3.25Å; K338-Y438 WeakPolarHBondContact CA-O 3.36Å; G339-Y438 PolarHBondContact N-O 2.93Å; G339-Y438 PolarHBondContact O-N 2.66Å; F341-Y438 HydrophobicContact CD1-CD1 4.35Å; F341-Y438 HydrophobicContact CE1-CD1 4.47Å; I360-Y438 HydrophobicContact CD1-CD1 4.18Å; I360-Y438 HydrophobicContact CD1-CG 4.11Å; I360-Y438 HydrophobicContact CG2-CD1 4.24Å; I360-Y438 HydrophobicContact CG2-CD2 3.55Å; I360-Y438 HydrophobicContact CG2-CE1 4.44Å; I360-Y438 HydrophobicContact CG2-CE2 3.79Å; I360-Y438 HydrophobicContact CG2-CG 3.81Å; V362-Y438 HydrophobicContact CG1-CD2 4.35Å; V362-Y438 HydrophobicContact CG1-CE2 4.41Å; K369-Y438 CarbonylContact O-C 3.56Å; K369-Y438 WeakPolarHBondContact O-CA 3.46Å
439	E	93.1	Very high	81.4	Confident	81 Å²	81	46.1 Å²	46.1	38%	0.379	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.1	176.6	63.4	-177.3	165.3	0	0	111.9	S337 K369 I441	S337-E439 CarbonylContact O-C 3.5Å; S337-E439 WeakPolarHBondContact O-CA 3.33Å; K369-E439 HydrophobicContact CB-CG 4.08Å; K369-E439 HydrophobicContact CD-CG 4.31Å; K369-E439 WeakPolarHBondContact CD-OE1 3.23Å; K369-E439 WeakPolarHBondContact CE-OE1 3.4Å; K369-E439 HydrophobicContact CG-CG 4.49Å; K369-E439 PolarHBondContact N-O 2.84Å; K369-E439 IonicContact NZ-OE1 2.84Å; K369-E439 PolarHBondContact NZ-OE1 3.38Å; K369-E439 PolarHBondContact O-N 3.21Å; E439-I441 HydrophobicContact CG-CG1 4.28Å
440	A	91.1	Very high	80.7	Confident	12 Å²	12	49.5 Å²	49.5	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103.7	-178.8	0	0	0	0	0	111.7	S337 V362 K366	S337-A440 WeakPolarHBondContact O-CB 3.49Å; S337-A440 PolarHBondContact O-N 3.32Å; V362-A440 HydrophobicContact CB-CB 3.72Å; V362-A440 HydrophobicContact CG1-CB 3.8Å; V362-A440 HydrophobicContact CG2-CB 4.23Å; K366-A440 HydrophobicContact CB-CB 4.23Å; K366-A440 HydrophobicContact CD-CB 3.77Å; K366-A440 PolarHBondContact NZ-O 3.27Å
441	I	84.9	Confident	79.9	Confident	28 Å²	28	52.4 Å²	52.4	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146.8	-178.2	-66.4	-168	0	0	0	111	K366 V367 K369 E439 P446	K366-I441 CarbonylContact C-O 3.54Å; K366-I441 VanDerWaalsContact CA-O 3.28Å; K366-I441 WeakPolarHBondContact CA-O 3.42Å; K366-I441 VanDerWaalsContact CB-O 3.24Å; K366-I441 WeakPolarHBondContact CB-O 3.28Å; V367-I441 HydrophobicContact CG2-CB 4.04Å; V367-I441 HydrophobicContact CG2-CG2 4.26Å; V367-I441 PolarHBondContact N-O 2.81Å; V367-I441 PolarHBondContact O-N 3.36Å; K369-I441 HydrophobicContact CB-CD1 3.75Å; K369-I441 HydrophobicContact CB-CG1 4.17Å; K369-I441 HydrophobicContact CD-CD1 3.43Å; K369-I441 VanDerWaalsContact CD-CD1 3.43Å; K369-I441 HydrophobicContact CG-CD1 4.24Å; E439-I441 HydrophobicContact CG-CG1 4.28Å; I441-P446 HydrophobicContact CG2-CB 4.22Å
442	D	79.6	Confident	79.2	Confident	66 Å²	66	55.6 Å²	55.6	35%	0.353	31%	0.305	S	S	.	.			trans	-83.1	122.4	170.5	-161.9	-54.9	0	0	0	109.8	V444 D445 P446	D442-V444 PolarHBondContact O-N 3.07Å; D442-V444 WeakPolarHBondContact OD1-CB 3.47Å; D442-V444 PolarHBondContact OD1-N 3.32Å; D442-D445 CarbonylContact O-C 3.59Å; D442-D445 VanDerWaalsContact O-C 3.23Å; D442-D445 PolarHBondContact O-N 3.01Å; D442-P446 WeakPolarHBondContact O-CA 3.47Å
443	P	67.6	Low	78.6	Confident	74 Å²	74	52.2 Å²	52.2	48%	0.481	29%	0.293	S	S	.	.	S	Bend	trans	-70.7	-13.1	180	29.3	-35.1	0	0	0	113.9	G365 V367	G365-P443 WeakPolarHBondContact O-CD 3.27Å; V367-P443 HydrophobicContact CG1-CB 4.16Å; V367-P443 HydrophobicContact CG1-CG 4.42Å
444	V	66.4	Low	77.7	Confident	134 Å²	134	62.2 Å²	62.2	81%	0.812	33%	0.33	S	S	*	.	S	Bend	trans	-89	-31.3	177.4	-173.7	0	0	0	0	111.4	D442	D442-V444 PolarHBondContact O-N 3.07Å; D442-V444 WeakPolarHBondContact OD1-CB 3.47Å; D442-V444 PolarHBondContact OD1-N 3.32Å
445	D	63.3	Low	76.5	Confident	76 Å²	76	65.5 Å²	65.5	41%	0.406	35%	0.348	S	S	.	.			trans	-133.7	79.3	174	-170.9	3	0	0	0	110.4	D442 C447 P448	D442-D445 CarbonylContact O-C 3.59Å; D442-D445 VanDerWaalsContact O-C 3.23Å; D442-D445 PolarHBondContact O-N 3.01Å; D445-C447 PolarHBondContact O-N 3.38Å; D445-C447 PolarHBondContact OD1-N 3.49Å; D445-P448 HydrophobicContact CB-CG 4.41Å; D445-P448 WeakPolarHBondContact O-CD 3.47Å; D445-P448 VanDerWaalsContact OD1-CA 3.32Å; D445-P448 WeakPolarHBondContact OD1-CA 3.42Å; D445-P448 VanDerWaalsContact OD1-N 3.13Å; D445-P448 VanDerWaalsContact OD2-CA 3.27Å; D445-P448 WeakPolarHBondContact OD2-CA 3.45Å; D445-P448 WeakPolarHBondContact OD2-CB 3.33Å; D445-P448 WeakPolarHBondContact OD2-CG 3.45Å
446	P	61.5	Low	75.3	Confident	47 Å²	47	62.4 Å²	62.4	31%	0.305	34%	0.338	S	S	.	.	S	Bend	trans	-67.4	-17.6	179.9	26.3	-34.4	0	0	0	113.1	I441 D442 C458	I441-P446 HydrophobicContact CG2-CB 4.22Å; D442-P446 WeakPolarHBondContact O-CA 3.47Å; P446-C458 PolarHBondContact O-SG 3.33Å
447	C	63.3	Low	74.2	Confident	7 Å²	7	65.4 Å²	65.4	5%	0.047	35%	0.354	C	S	.	.	S	Bend	trans	-140.3	71	-176.7	-59.6	0	0	0	0	112.1	D445 G449 K450 H452 C458	D445-C447 PolarHBondContact O-N 3.38Å; D445-C447 PolarHBondContact OD1-N 3.49Å; C447-G449 PolarHBondContact O-N 3.38Å; C447-K450 HydrophobicContact CB-CB 3.9Å; C447-K450 PolarHBondContact O-N 2.95Å; C447-H452 HydrophobicContact CB-CB 4.35Å; C447-C458 VanDerWaalsContact CA-SG 3.56Å; C447-C458 HydrophobicContact CB-CB 3.75Å; C447-C458 WeakPolarHBondContact CB-SG 3.38Å; C447-C458 VanDerWaalsContact SG-CA 3.54Å; C447-C458 WeakPolarHBondContact SG-CB 3.18Å; C447-C458 CovalentContact SG-SG 2.04Å; C447-C458 PolarHBondContact SG-SG 3.1Å
448	P	58.6	Low	73.3	Confident	93 Å²	93	65.2 Å²	65.2	60%	0.604	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	115.4	-175.1	-23.4	32.7	0	0	0	112.7	D445 K450	D445-P448 HydrophobicContact CB-CG 4.41Å; D445-P448 WeakPolarHBondContact O-CD 3.47Å; D445-P448 VanDerWaalsContact OD1-CA 3.32Å; D445-P448 WeakPolarHBondContact OD1-CA 3.42Å; D445-P448 VanDerWaalsContact OD1-N 3.13Å; D445-P448 VanDerWaalsContact OD2-CA 3.27Å; D445-P448 WeakPolarHBondContact OD2-CA 3.45Å; D445-P448 WeakPolarHBondContact OD2-CB 3.33Å; D445-P448 WeakPolarHBondContact OD2-CG 3.45Å; P448-K450 VanDerWaalsContact C-N 3.28Å; P448-K450 PolarHBondContact O-N 3.43Å
449	G	62.1	Low	72.4	Confident	61 Å²	61	65.6 Å²	65.6	63%	0.629	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	18.9	-177.2	0	0	0	0	0	115.2	C447	C447-G449 PolarHBondContact O-N 3.38Å
450	K	74.6	Confident	71.5	Confident	112 Å²	112	64.2 Å²	64.2	49%	0.487	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.1	-176.7	-78.5	-174.3	-178.6	-174.4	0	111.1	C447 P448 C458 I459	C447-K450 HydrophobicContact CB-CB 3.9Å; C447-K450 PolarHBondContact O-N 2.95Å; P448-K450 VanDerWaalsContact C-N 3.28Å; P448-K450 PolarHBondContact O-N 3.43Å; K450-C458 HydrophobicContact CB-CB 4.32Å; K450-C458 HydrophobicContact CD-CB 4.17Å; K450-I459 CarbonylContact C-O 3.59Å; K450-I459 WeakPolarHBondContact CA-O 3.44Å; K450-I459 WeakPolarHBondContact CB-O 2.95Å
451	F	76.9	Confident	70.4	Confident	66 Å²	66	69.6 Å²	69.6	29%	0.289	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.3	173.6	179.7	-96.8	0	0	0	110.4	C458 I459 T464 D476	F451-C458 CarbonylContact O-C 3.58Å; F451-C458 WeakPolarHBondContact O-CA 3.18Å; F451-I459 HydrophobicContact CB-CG1 4Å; F451-I459 HydrophobicContact CD1-CD1 3.99Å; F451-I459 HydrophobicContact CD1-CG1 3.88Å; F451-I459 HydrophobicContact CG-CG1 4.42Å; F451-I459 PolarHBondContact N-O 3Å; F451-I459 PolarHBondContact O-N 3.42Å; F451-T464 HydrophobicContact CB-CG2 3.38Å; F451-T464 HydrophobicContact CD1-CG2 3.74Å; F451-T464 HydrophobicContact CD2-CG2 3.49Å; F451-T464 VanDerWaalsContact CD2-CG2 3.49Å; F451-T464 HydrophobicContact CE1-CG2 4.36Å; F451-T464 HydrophobicContact CE2-CG2 4.13Å; F451-T464 HydrophobicContact CG-CG2 3.25Å; F451-D476 HydrophobicContact CE1-CB 4.19Å
452	H	76.3	Confident	69.7	Low	91 Å²	91	73.7 Å²	73.7	42%	0.421	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.6	-177.5	175.7	-76.9	0	0	0	110.4	C447	C447-H452 HydrophobicContact CB-CB 4.35Å
453	C	76.9	Confident	69.2	Low	0 Å²	0	72.4 Å²	72.4	0%	0	40%	0.398	C	S	.	.			trans	-63.5	156	173.8	-58.4	0	0	0	0	112	N455 G456 L457 C471	C453-N455 WeakPolarHBondContact CB-OD1 3.35Å; C453-N455 PolarHBondContact O-N 2.81Å; C453-G456 PolarHBondContact O-N 3.25Å; C453-L457 HydrophobicContact CB-CB 3.92Å; C453-L457 VanDerWaalsContact CB-O 3.29Å; C453-L457 WeakPolarHBondContact CB-O 3.36Å; C453-L457 PolarHBondContact N-O 3.38Å; C453-L457 PolarHBondContact SG-O 3.5Å; C453-L457 VanDerWaalsContact SG-O 3.36Å; C453-C471 VanDerWaalsContact CA-SG 3.59Å; C453-C471 HydrophobicContact CB-CB 3.59Å; C453-C471 WeakPolarHBondContact CB-SG 3Å; C453-C471 WeakPolarHBondContact SG-CA 3.29Å; C453-C471 WeakPolarHBondContact SG-CB 3.02Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 2.85Å
454	R	71.4	Confident	69.4	Low	210 Å²	210	71 Å²	71	79%	0.792	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-26.8	-178.1	-177	-176.9	176.6	-178.1	-0.9	112.8	G456 D473 S475	R454-G456 VanDerWaalsContact C-N 3.29Å; R454-D473 WeakPolarHBondContact CB-OD2 3.44Å; R454-D473 PolarHBondContact N-OD2 2.55Å; R454-S475 WeakPolarHBondContact CB-OG 3.4Å; R454-S475 PolarHBondContact N-OG 3.05Å
455	N	65.6	Low	69.5	Low	70 Å²	70	66.7 Å²	66.7	37%	0.374	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.4	171.7	65.9	5.3	0	0	0	114.5	C453 L457 C471 D473	C453-N455 WeakPolarHBondContact CB-OD1 3.35Å; C453-N455 PolarHBondContact O-N 2.81Å; N455-L457 WeakPolarHBondContact OD1-CB 3.46Å; N455-L457 PolarHBondContact OD1-N 2.83Å; N455-C471 PolarHBondContact ND2-O 3.37Å; N455-D473 HydrophobicContact CB-CB 4.48Å; N455-D473 VanDerWaalsContact CB-OD2 3.26Å; N455-D473 WeakPolarHBondContact CB-OD2 3.45Å; N455-D473 VanDerWaalsContact CG-OD2 3.27Å; N455-D473 PolarHBondContact N-OD2 3.04Å
456	G	66.6	Low	69.5	Low	17 Å²	17	64.7 Å²	64.7	18%	0.175	35%	0.352	C	S	.	.	S	Bend	trans	85.9	8.9	177.4	0	0	0	0	0	115.6	C453 R454	C453-G456 PolarHBondContact O-N 3.25Å; R454-G456 VanDerWaalsContact C-N 3.29Å
457	L	69.3	Low	69.5	Low	64 Å²	64	62.8 Å²	62.8	34%	0.335	34%	0.341	S	S	.	.			trans	-71.9	142.7	167.7	-74.6	171.1	0	0	0	111.5	F411 C453 N455 C471	F411-L457 HydrophobicContact CD1-CD2 4.39Å; F411-L457 HydrophobicContact CE1-CD2 3.48Å; F411-L457 VanDerWaalsContact CE1-CD2 3.48Å; F411-L457 HydrophobicContact CE1-CG 3.9Å; F411-L457 HydrophobicContact CZ-CD2 3.89Å; F411-L457 HydrophobicContact CZ-CG 3.95Å; C453-L457 HydrophobicContact CB-CB 3.92Å; C453-L457 VanDerWaalsContact CB-O 3.29Å; C453-L457 WeakPolarHBondContact CB-O 3.36Å; C453-L457 PolarHBondContact N-O 3.38Å; C453-L457 PolarHBondContact SG-O 3.5Å; C453-L457 VanDerWaalsContact SG-O 3.36Å; N455-L457 WeakPolarHBondContact OD1-CB 3.46Å; N455-L457 PolarHBondContact OD1-N 2.83Å; L457-C471 WeakPolarHBondContact CD1-O 3.48Å
458	C	76.2	Confident	69.3	Low	50 Å²	50	66.1 Å²	66.1	34%	0.338	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	97.5	174.3	-60.4	0	0	0	0	110.7	P446 C447 K450 F451	P446-C458 PolarHBondContact O-SG 3.33Å; C447-C458 VanDerWaalsContact CA-SG 3.56Å; C447-C458 HydrophobicContact CB-CB 3.75Å; C447-C458 WeakPolarHBondContact CB-SG 3.38Å; C447-C458 VanDerWaalsContact SG-CA 3.54Å; C447-C458 WeakPolarHBondContact SG-CB 3.18Å; C447-C458 CovalentContact SG-SG 2.04Å; C447-C458 PolarHBondContact SG-SG 3.1Å; K450-C458 HydrophobicContact CB-CB 4.32Å; K450-C458 HydrophobicContact CD-CB 4.17Å; F451-C458 CarbonylContact O-C 3.58Å; F451-C458 WeakPolarHBondContact O-CA 3.18Å
459	I	74.4	Confident	69.6	Low	19 Å²	19	64.2 Å²	64.2	10%	0.097	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	164.2	174.9	67.3	174.6	0	0	0	110.9	K450 F451 L463 D470 D476	K450-I459 CarbonylContact C-O 3.59Å; K450-I459 WeakPolarHBondContact CA-O 3.44Å; K450-I459 WeakPolarHBondContact CB-O 2.95Å; F451-I459 HydrophobicContact CB-CG1 4Å; F451-I459 HydrophobicContact CD1-CD1 3.99Å; F451-I459 HydrophobicContact CD1-CG1 3.88Å; F451-I459 HydrophobicContact CG-CG1 4.42Å; F451-I459 PolarHBondContact N-O 3Å; F451-I459 PolarHBondContact O-N 3.42Å; I459-L463 HydrophobicContact CB-CB 4.38Å; I459-L463 HydrophobicContact CB-CD1 4.24Å; I459-L463 HydrophobicContact CD1-CB 3.95Å; I459-L463 WeakPolarHBondContact CD1-O 3.17Å; I459-L463 HydrophobicContact CG1-CB 4.36Å; I459-D470 HydrophobicContact CD1-CB 4.32Å; I459-D476 HydrophobicContact CD1-CB 3.75Å
460	S	75	Confident	70.1	Confident	51 Å²	51	63.3 Å²	63.3	36%	0.357	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	149.5	177.8	-175	0	0	0	0	111.2	N462 L463	S460-N462 WeakPolarHBondContact CB-OD1 3.18Å; S460-N462 PolarHBondContact O-N 2.96Å; S460-N462 VanDerWaalsContact O-N 3.14Å; S460-N462 PolarHBondContact OG-OD1 3.32Å; S460-L463 WeakPolarHBondContact O-CB 3.45Å; S460-L463 PolarHBondContact O-N 2.91Å
461	Q	67.8	Low	69.8	Low	125 Å²	125	58 Å²	58	58%	0.584	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.3	-18.3	-177.9	-69.9	-176.7	-13.8	0	0	113.9	T464	Q461-T464 PolarHBondContact O-OG1 3.09Å
462	N	69.8	Low	69.2	Low	115 Å²	115	57.5 Å²	57.5	62%	0.615	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-83.1	1.4	172.1	71.5	-50	0	0	0	113.7	S460	S460-N462 WeakPolarHBondContact CB-OD1 3.18Å; S460-N462 PolarHBondContact O-N 2.96Å; S460-N462 VanDerWaalsContact O-N 3.14Å; S460-N462 PolarHBondContact OG-OD1 3.32Å
463	L	68.7	Low	68.9	Low	39 Å²	39	55.3 Å²	55.3	20%	0.204	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-106.5	26.6	175.3	-53	177.7	0	0	0	111.2	I459 S460 D466	I459-L463 HydrophobicContact CB-CB 4.38Å; I459-L463 HydrophobicContact CB-CD1 4.24Å; I459-L463 HydrophobicContact CD1-CB 3.95Å; I459-L463 WeakPolarHBondContact CD1-O 3.17Å; I459-L463 HydrophobicContact CG1-CB 4.36Å; S460-L463 WeakPolarHBondContact O-CB 3.45Å; S460-L463 PolarHBondContact O-N 2.91Å; L463-D466 WeakPolarHBondContact CA-OD2 3.43Å
464	T	73.4	Confident	68.4	Low	43 Å²	43	58.9 Å²	58.9	26%	0.264	32%	0.319	S	S	.	.	S	Bend	trans	-117.1	132.8	177.6	64.5	0	0	0	0	109.1	F451 Q461 D466	F451-T464 HydrophobicContact CB-CG2 3.38Å; F451-T464 HydrophobicContact CD1-CG2 3.74Å; F451-T464 HydrophobicContact CD2-CG2 3.49Å; F451-T464 VanDerWaalsContact CD2-CG2 3.49Å; F451-T464 HydrophobicContact CE1-CG2 4.36Å; F451-T464 HydrophobicContact CE2-CG2 4.13Å; F451-T464 HydrophobicContact CG-CG2 3.25Å; Q461-T464 PolarHBondContact O-OG1 3.09Å; T464-D466 PolarHBondContact O-N 2.82Å
465	C	68.1	Low	68.7	Low	45 Å²	45	49.7 Å²	49.7	30%	0.304	29%	0.287	S	S	.	.	S	Bend	trans	57	37.5	-178.3	-57.6	0	0	0	0	113.6	D476 E477 C480	C465-D476 PolarHBondContact N-O 2.79Å; C465-D476 VanDerWaalsContact N-O 3.1Å; C465-E477 WeakPolarHBondContact CA-OE1 3.39Å; C465-E477 PolarHBondContact N-OE1 3.29Å; C465-C480 WeakPolarHBondContact CA-SG 3.28Å; C465-C480 HydrophobicContact CB-CB 3.54Å; C465-C480 WeakPolarHBondContact CB-SG 3.46Å; C465-C480 WeakPolarHBondContact SG-CA 3.32Å; C465-C480 WeakPolarHBondContact SG-CB 3.34Å; C465-C480 CovalentContact SG-SG 2.03Å; C465-C480 PolarHBondContact SG-SG 2.72Å
466	D	63.9	Low	69	Low	33 Å²	33	46.5 Å²	46.5	18%	0.176	27%	0.27	C	S	.	.	S	Bend	trans	-104.7	-0	180	79.2	22.8	0	0	0	113.5	L463 T464 W468 E477 R826	L463-D466 WeakPolarHBondContact CA-OD2 3.43Å; T464-D466 PolarHBondContact O-N 2.82Å; D466-W468 VanDerWaalsContact O-CD1 3.28Å; D466-W468 WeakPolarHBondContact OD1-CB 3.43Å; D466-W468 VanDerWaalsContact OD1-CD1 3.23Å; D466-W468 PolarHBondContact OD1-N 2.81Å; D466-E477 PolarHBondContact N-OE1 2.92Å; D466-R826 IonicContact OD1-CZ 2.68Å; D466-R826 IonicContact OD1-NH1 3.8Å; D466-R826 IonicContact OD1-NH2 2.64Å; D466-R826 PolarHBondContact OD1-NH2 3.3Å; D466-R826 IonicContact OD2-CZ 3.81Å; D466-R826 IonicContact OD2-NH1 3.93Å; D466-R826 PolarHBondContact OD2-NH1 3.05Å; D466-R826 IonicContact OD2-NH2 2.77Å; D466-R826 PolarHBondContact OD2-NH2 2.6Å
467	G	60.1	Low	69.4	Low	7 Å²	7	45.8 Å²	45.8	7%	0.072	26%	0.262	C	S	.	.	S	Bend	trans	96.7	4.2	175.3	0	0	0	0	0	115.5	E477 C495 K496	G467-E477 WeakPolarHBondContact CA-OE2 3.35Å; G467-E477 PolarHBondContact N-OE1 2.92Å; G467-E477 VanDerWaalsContact N-OE1 3.11Å; G467-E477 PolarHBondContact N-OE2 3.45Å; G467-C495 WeakPolarHBondContact CA-O 3.4Å; G467-K496 PolarHBondContact O-NZ 2.8Å
468	W	60.6	Low	69.4	Low	77 Å²	77	48.1 Å²	48.1	29%	0.292	27%	0.27	S	S	.	.	S	Bend	trans	-125.7	138.1	-173.2	-58.3	82.2	0	0	0	112.7	D466 D470 E477 K789	D466-W468 VanDerWaalsContact O-CD1 3.28Å; D466-W468 WeakPolarHBondContact OD1-CB 3.43Å; D466-W468 VanDerWaalsContact OD1-CD1 3.23Å; D466-W468 PolarHBondContact OD1-N 2.81Å; W468-D470 PolarHBondContact O-N 2.73Å; W468-E477 VanDerWaalsContact O-CG 3.25Å; W468-E477 WeakPolarHBondContact O-CG 3.37Å; W468-K789 HydrophobicContact CD2-CD 4.41Å; W468-K789 HydrophobicContact CD2-CG 4.28Å; W468-K789 HydrophobicContact CE3-CB 4.09Å; W468-K789 HydrophobicContact CE3-CD 3.68Å; W468-K789 HydrophobicContact CE3-CG 3.91Å; W468-K789 HydrophobicContact CH2-CB 4.27Å; W468-K789 HydrophobicContact CZ3-CB 3.94Å; W468-K789 HydrophobicContact CZ3-CD 4.14Å; W468-K789 HydrophobicContact CZ3-CG 4.26Å
469	N	65.1	Low	68.8	Low	53 Å²	53	53.7 Å²	53.7	28%	0.283	30%	0.296	S	S	.	.			trans	-77	86.3	171.4	-172.7	17.1	0	0	0	109.7	G472 D473 L474 K789	N469-G472 PolarHBondContact ND2-O 2.94Å; N469-G472 WeakPolarHBondContact OD1-CA 3.4Å; N469-G472 PolarHBondContact OD1-N 3.07Å; N469-D473 PolarHBondContact OD1-N 2.77Å; N469-D473 VanDerWaalsContact OD1-N 3.15Å; N469-L474 HydrophobicContact CB-CD2 3.68Å; N469-L474 HydrophobicContact CB-CG 4.16Å; N469-L474 WeakPolarHBondContact OD1-CA 3.26Å; N469-L474 PolarHBondContact OD1-N 2.84Å; N469-K789 PolarHBondContact O-NZ 3.35Å; N469-K789 VanDerWaalsContact O-NZ 3.07Å
470	D	70.6	Confident	68.5	Low	43 Å²	43	53.7 Å²	53.7	23%	0.23	30%	0.298	C	S	.	.	S	Bend	trans	-93.3	-22.9	175.5	-74.8	-9.6	0	0	0	111.5	I459 W468 G472 D476 K789 R826	I459-D470 HydrophobicContact CD1-CB 4.32Å; W468-D470 PolarHBondContact O-N 2.73Å; D470-G472 VanDerWaalsContact C-N 3.29Å; D470-D476 WeakPolarHBondContact CA-OD2 3.38Å; D470-D476 PolarHBondContact N-OD2 2.97Å; D470-K789 WeakPolarHBondContact OD1-CE 3.16Å; D470-K789 IonicContact OD1-NZ 2.62Å; D470-K789 PolarHBondContact OD1-NZ 2.8Å; D470-R826 IonicContact OD2-NH1 3.48Å
471	C	69.8	Low	68	Low	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-70.8	-18.1	165.8	-76.2	0	0	0	0	113.7	C453 N455 L457 D473 D476	C453-C471 VanDerWaalsContact CA-SG 3.59Å; C453-C471 HydrophobicContact CB-CB 3.59Å; C453-C471 WeakPolarHBondContact CB-SG 3Å; C453-C471 WeakPolarHBondContact SG-CA 3.29Å; C453-C471 WeakPolarHBondContact SG-CB 3.02Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 2.85Å; N455-C471 PolarHBondContact ND2-O 3.37Å; L457-C471 WeakPolarHBondContact CD1-O 3.48Å; C471-D473 VanDerWaalsContact CB-OD1 3.28Å; C471-D473 WeakPolarHBondContact CB-OD1 3.16Å; C471-D473 PolarHBondContact O-N 2.82Å; C471-D476 HydrophobicContact CB-CB 4.38Å; C471-D476 WeakPolarHBondContact CB-OD2 3.13Å; C471-D476 PolarHBondContact N-OD2 3.41Å; C471-D476 VanDerWaalsContact SG-CG 3.6Å
472	G	63.3	Low	67.9	Low	56 Å²	56	55.5 Å²	55.5	58%	0.577	30%	0.301	S	S	*	.	S	Bend	trans	73.8	-21.6	-170.6	0	0	0	0	0	115	N469 D470	N469-G472 PolarHBondContact ND2-O 2.94Å; N469-G472 WeakPolarHBondContact OD1-CA 3.4Å; N469-G472 PolarHBondContact OD1-N 3.07Å; D470-G472 VanDerWaalsContact C-N 3.29Å
473	D	70.5	Confident	67.3	Low	44 Å²	44	55.9 Å²	55.9	24%	0.235	31%	0.307	C	S	.	.	S	Bend	trans	-111.5	11	-179	70.9	7.9	0	0	0	114.9	R454 N455 N469 C471 S475 K478	R454-D473 WeakPolarHBondContact CB-OD2 3.44Å; R454-D473 PolarHBondContact N-OD2 2.55Å; N455-D473 HydrophobicContact CB-CB 4.48Å; N455-D473 VanDerWaalsContact CB-OD2 3.26Å; N455-D473 WeakPolarHBondContact CB-OD2 3.45Å; N455-D473 VanDerWaalsContact CG-OD2 3.27Å; N455-D473 PolarHBondContact N-OD2 3.04Å; N469-D473 PolarHBondContact OD1-N 2.77Å; N469-D473 VanDerWaalsContact OD1-N 3.15Å; C471-D473 VanDerWaalsContact CB-OD1 3.28Å; C471-D473 WeakPolarHBondContact CB-OD1 3.16Å; C471-D473 PolarHBondContact O-N 2.82Å; D473-S475 VanDerWaalsContact C-N 3.3Å; D473-S475 PolarHBondContact O-N 2.68Å; D473-S475 WeakPolarHBondContact OD1-CB 3.37Å; D473-S475 PolarHBondContact OD1-N 2.84Å; D473-S475 PolarHBondContact OD1-OG 3.35Å; D473-S475 PolarHBondContact OD2-OG 3.03Å; D473-K478 PolarHBondContact O-NZ 2.93Å
474	L	66.8	Low	66.7	Low	75 Å²	75	56 Å²	56	39%	0.393	32%	0.317	S	S	.	.	S	Bend	trans	59.5	28.6	-177.5	-67.6	157.7	0	0	0	113.8	N469 D476 K478	N469-L474 HydrophobicContact CB-CD2 3.68Å; N469-L474 HydrophobicContact CB-CG 4.16Å; N469-L474 WeakPolarHBondContact OD1-CA 3.26Å; N469-L474 PolarHBondContact OD1-N 2.84Å; L474-D476 VanDerWaalsContact C-OD1 3.25Å; L474-D476 WeakPolarHBondContact CA-OD1 3.18Å; L474-K478 VanDerWaalsContact CB-NZ 3.29Å; L474-K478 VanDerWaalsContact O-CD 3.24Å; L474-K478 WeakPolarHBondContact O-CD 3.21Å; L474-K478 WeakPolarHBondContact O-CE 3.27Å; L474-K478 WeakPolarHBondContact O-CG 3.36Å; L474-K478 PolarHBondContact O-NZ 2.84Å
475	S	76.5	Confident	65.9	Low	18 Å²	18	62.2 Å²	62.2	13%	0.126	35%	0.349	C	S	.	.			trans	-85.4	-24.8	-177.9	-57.6	0	0	0	0	114.5	R454 D473	R454-S475 WeakPolarHBondContact CB-OG 3.4Å; R454-S475 PolarHBondContact N-OG 3.05Å; D473-S475 VanDerWaalsContact C-N 3.3Å; D473-S475 PolarHBondContact O-N 2.68Å; D473-S475 WeakPolarHBondContact OD1-CB 3.37Å; D473-S475 PolarHBondContact OD1-N 2.84Å; D473-S475 PolarHBondContact OD1-OG 3.35Å; D473-S475 PolarHBondContact OD2-OG 3.03Å
476	D	72.7	Confident	65.4	Low	2 Å²	2	63.8 Å²	63.8	1%	0.011	36%	0.361	C	S	.	.	S	Bend	trans	-63.3	-36	166.7	42	2.4	0	0	0	113.7	F451 I459 C465 D470 C471 L474	F451-D476 HydrophobicContact CE1-CB 4.19Å; I459-D476 HydrophobicContact CD1-CB 3.75Å; C465-D476 PolarHBondContact N-O 2.79Å; C465-D476 VanDerWaalsContact N-O 3.1Å; D470-D476 WeakPolarHBondContact CA-OD2 3.38Å; D470-D476 PolarHBondContact N-OD2 2.97Å; C471-D476 HydrophobicContact CB-CB 4.38Å; C471-D476 WeakPolarHBondContact CB-OD2 3.13Å; C471-D476 PolarHBondContact N-OD2 3.41Å; C471-D476 VanDerWaalsContact SG-CG 3.6Å; L474-D476 VanDerWaalsContact C-OD1 3.25Å; L474-D476 WeakPolarHBondContact CA-OD1 3.18Å
477	E	75.6	Confident	65.4	Low	3 Å²	3	64.7 Å²	64.7	1%	0.014	37%	0.365	C	S	.	.	S	Bend	trans	-99.8	12.8	-174.8	-65.6	-57	129.8	0	0	114.2	C465 D466 G467 W468 L494	C465-E477 WeakPolarHBondContact CA-OE1 3.39Å; C465-E477 PolarHBondContact N-OE1 3.29Å; D466-E477 PolarHBondContact N-OE1 2.92Å; G467-E477 WeakPolarHBondContact CA-OE2 3.35Å; G467-E477 PolarHBondContact N-OE1 2.92Å; G467-E477 VanDerWaalsContact N-OE1 3.11Å; G467-E477 PolarHBondContact N-OE2 3.45Å; W468-E477 VanDerWaalsContact O-CG 3.25Å; W468-E477 WeakPolarHBondContact O-CG 3.37Å; E477-L494 HydrophobicContact CB-CD2 3.93Å
478	K	68.9	Low	65.9	Low	113 Å²	113	65.7 Å²	65.7	49%	0.491	37%	0.368	S	S	.	.	S	Bend	trans	-101.2	135.9	178.8	-82.1	171.5	-169.4	107.7	0	111.9	D473 L474 C480	D473-K478 PolarHBondContact O-NZ 2.93Å; L474-K478 VanDerWaalsContact CB-NZ 3.29Å; L474-K478 VanDerWaalsContact O-CD 3.24Å; L474-K478 WeakPolarHBondContact O-CD 3.21Å; L474-K478 WeakPolarHBondContact O-CE 3.27Å; L474-K478 WeakPolarHBondContact O-CG 3.36Å; L474-K478 PolarHBondContact O-NZ 2.84Å; K478-C480 VanDerWaalsContact C-N 3.34Å
479	N	64.3	Low	66.4	Low	166 Å²	166	66 Å²	66	89%	0.888	38%	0.379	S	S	*	.	S	Bend	trans	63.9	35.5	177.3	-165.4	43.6	0	0	0	113.9
480	C	67.9	Low	66.7	Low	20 Å²	20	63.6 Å²	63.6	14%	0.135	37%	0.367	C	S	.	.			trans	-79.1	148.3	179.3	-66.9	0	0	0	0	112.8	C465 K478	C465-C480 WeakPolarHBondContact CA-SG 3.28Å; C465-C480 HydrophobicContact CB-CB 3.54Å; C465-C480 WeakPolarHBondContact CB-SG 3.46Å; C465-C480 WeakPolarHBondContact SG-CA 3.32Å; C465-C480 WeakPolarHBondContact SG-CB 3.34Å; C465-C480 CovalentContact SG-SG 2.03Å; C465-C480 PolarHBondContact SG-SG 2.72Å; K478-C480 VanDerWaalsContact C-N 3.34Å
481	K	64.9	Low	66.6	Low	185 Å²	185	64.3 Å²	64.3	80%	0.804	38%	0.384	S	S	*	.			trans	-106.5	103.3	165.3	-72.2	-175	177.4	-178.8	0	108	T483	K481-T483 HydrophobicContact CB-CG2 4.46Å; K481-T483 PolarHBondContact O-N 3.49Å
482	C	65.6	Low	66.5	Low	29 Å²	29	68.1 Å²	68.1	20%	0.196	40%	0.404	C	S	.	.			trans	-65.9	100.2	177.4	-39.5	0	0	0	0	109.1	L487 T489 C495	C482-L487 HydrophobicContact CB-CB 4.2Å; C482-T489 PolarHBondContact SG-OG1 3.2Å; C482-C495 WeakPolarHBondContact CA-SG 3.44Å; C482-C495 HydrophobicContact CB-CB 3.98Å; C482-C495 WeakPolarHBondContact CB-SG 3.13Å; C482-C495 VanDerWaalsContact SG-CA 3.5Å; C482-C495 WeakPolarHBondContact SG-CB 3.39Å; C482-C495 CovalentContact SG-SG 2.04Å; C482-C495 PolarHBondContact SG-SG 2.97Å
483	T	55.5	Low	66.6	Low	123 Å²	123	67 Å²	67	76%	0.755	39%	0.393	S	S	*	.			trans	-112.8	96.5	-179.6	50.5	0	0	0	0	110.9	K481	K481-T483 HydrophobicContact CB-CG2 4.46Å; K481-T483 PolarHBondContact O-N 3.49Å
484	G	56.3	Low	66.5	Low	40 Å²	40	66.9 Å²	66.9	41%	0.412	39%	0.392	S	S	.	.	S	Bend	trans	158.3	148.5	172.5	0	0	0	0	0	111.7	S486 L487	G484-S486 PolarHBondContact O-N 3.42Å; G484-L487 PolarHBondContact O-N 2.93Å
485	D	56.6	Low	66.7	Low	175 Å²	175	63.3 Å²	63.3	94%	0.936	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-2.5	-177	-60.6	-37.9	0	0	0	114.3
486	S	57.6	Low	66.3	Low	78 Å²	78	64.6 Å²	64.6	55%	0.545	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-0.9	-178.3	52.3	0	0	0	0	114.8	G484 S497 V498	G484-S486 PolarHBondContact O-N 3.42Å; S486-S497 WeakPolarHBondContact O-CA 3.5Å; S486-V498 PolarHBondContact O-N 3.24Å
487	L	64.4	Low	65.8	Low	52 Å²	52	66.8 Å²	66.8	27%	0.272	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121	-179.7	-70.2	164	0	0	0	112.7	C482 G484 C495 K496	C482-L487 HydrophobicContact CB-CB 4.2Å; G484-L487 PolarHBondContact O-N 2.93Å; L487-C495 HydrophobicContact CD2-CB 4.47Å; L487-K496 CarbonylContact C-O 3.44Å; L487-K496 VanDerWaalsContact CA-O 3.27Å; L487-K496 WeakPolarHBondContact CA-O 3.22Å; L487-K496 WeakPolarHBondContact CD2-O 3.3Å
488	L	70.6	Confident	65.2	Low	27 Å²	27	69.8 Å²	69.8	14%	0.141	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.4	167.9	175.7	70.4	0	0	0	110.3	C495 K496 V498 K501 D513	L488-C495 CarbonylContact O-C 3.05Å; L488-C495 WeakPolarHBondContact O-CA 3.11Å; L488-K496 PolarHBondContact N-O 2.64Å; L488-K496 PolarHBondContact O-N 3.02Å; L488-V498 HydrophobicContact CB-CG2 4.33Å; L488-K501 HydrophobicContact CD1-CD 4.21Å; L488-K501 HydrophobicContact CD1-CG 4.36Å; L488-K501 HydrophobicContact CD2-CB 4.16Å; L488-K501 HydrophobicContact CD2-CG 4.26Å; L488-D513 HydrophobicContact CD2-CB 3.88Å
489	T	70.9	Confident	64.8	Low	83 Å²	83	69.3 Å²	69.3	51%	0.509	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.2	168.9	-47.5	0	0	0	0	110	C482	C482-T489 PolarHBondContact SG-OG1 3.2Å
490	C	71.4	Confident	64.7	Low	4 Å²	4	64 Å²	64	3%	0.027	38%	0.376	C	S	.	.			trans	-70.3	157.1	171.7	-59	0	0	0	0	111.3	N492 G493 L494 C508	C490-N492 VanDerWaalsContact C-N 3.25Å; C490-N492 WeakPolarHBondContact CB-OD1 3.49Å; C490-N492 PolarHBondContact O-N 3.27Å; C490-G493 PolarHBondContact O-N 2.94Å; C490-L494 HydrophobicContact CB-CB 4.15Å; C490-L494 WeakPolarHBondContact CB-O 3.46Å; C490-L494 PolarHBondContact N-O 2.91Å; C490-C508 HydrophobicContact CB-CB 3.66Å; C490-C508 WeakPolarHBondContact CB-SG 3.03Å; C490-C508 VanDerWaalsContact SG-CA 3.51Å; C490-C508 WeakPolarHBondContact SG-CB 3.22Å; C490-C508 CovalentContact SG-SG 2.04Å; C490-C508 PolarHBondContact SG-SG 2.79Å
491	G	68.8	Low	64.6	Low	58 Å²	58	67.8 Å²	67.8	60%	0.598	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.2	-176.9	0	0	0	0	0	113.6	G493 D510 T512	G491-G493 VanDerWaalsContact C-N 3.25Å; G491-G493 PolarHBondContact O-N 2.91Å; G491-D510 WeakPolarHBondContact CA-OD2 3.39Å; G491-D510 PolarHBondContact N-OD2 2.93Å; G491-D510 VanDerWaalsContact N-OD2 3.12Å; G491-T512 WeakPolarHBondContact CA-OG1 3.34Å; G491-T512 PolarHBondContact N-OG1 2.97Å
492	N	66.9	Low	64.4	Low	80 Å²	80	61.6 Å²	61.6	43%	0.428	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.6	172.2	62.4	21.9	0	0	0	114.2	C490 L494 C508 D510	C490-N492 VanDerWaalsContact C-N 3.25Å; C490-N492 WeakPolarHBondContact CB-OD1 3.49Å; C490-N492 PolarHBondContact O-N 3.27Å; N492-L494 WeakPolarHBondContact OD1-CB 3.27Å; N492-L494 WeakPolarHBondContact OD1-CG 3.31Å; N492-L494 PolarHBondContact OD1-N 2.88Å; N492-L494 VanDerWaalsContact OD1-N 3.11Å; N492-C508 PolarHBondContact ND2-O 2.99Å; N492-D510 WeakPolarHBondContact CB-OD2 3.23Å; N492-D510 VanDerWaalsContact CG-OD2 3.29Å; N492-D510 PolarHBondContact N-OD2 2.74Å; N492-D510 PolarHBondContact ND2-OD2 2.04Å
493	G	66.5	Low	64.2	Low	32 Å²	32	63.2 Å²	63.2	33%	0.33	38%	0.376	S	S	.	.	S	Bend	trans	88.2	7.7	176.7	0	0	0	0	0	115.8	C490 G491	C490-G493 PolarHBondContact O-N 2.94Å; G491-G493 VanDerWaalsContact C-N 3.25Å; G491-G493 PolarHBondContact O-N 2.91Å
494	L	68.3	Low	64.3	Low	41 Å²	41	60.4 Å²	60.4	22%	0.215	37%	0.371	C	S	.	.			trans	-74.3	148	169.6	-64.6	173.3	0	0	0	111.2	E477 C490 N492	E477-L494 HydrophobicContact CB-CD2 3.93Å; C490-L494 HydrophobicContact CB-CB 4.15Å; C490-L494 WeakPolarHBondContact CB-O 3.46Å; C490-L494 PolarHBondContact N-O 2.91Å; N492-L494 WeakPolarHBondContact OD1-CB 3.27Å; N492-L494 WeakPolarHBondContact OD1-CG 3.31Å; N492-L494 PolarHBondContact OD1-N 2.88Å; N492-L494 VanDerWaalsContact OD1-N 3.11Å
495	C	71.1	Confident	64.4	Low	0 Å²	0	62.3 Å²	62.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.5	167.9	-57.6	0	0	0	0	109.2	G467 C482 L487 L488	G467-C495 WeakPolarHBondContact CA-O 3.4Å; C482-C495 WeakPolarHBondContact CA-SG 3.44Å; C482-C495 HydrophobicContact CB-CB 3.98Å; C482-C495 WeakPolarHBondContact CB-SG 3.13Å; C482-C495 VanDerWaalsContact SG-CA 3.5Å; C482-C495 WeakPolarHBondContact SG-CB 3.39Å; C482-C495 CovalentContact SG-SG 2.04Å; C482-C495 PolarHBondContact SG-SG 2.97Å; L487-C495 HydrophobicContact CD2-CB 4.47Å; L488-C495 CarbonylContact O-C 3.05Å; L488-C495 WeakPolarHBondContact O-CA 3.11Å
496	K	66.6	Low	64.8	Low	45 Å²	45	58 Å²	58	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	162.1	171.2	-70.1	-62.4	-175.8	-175.2	0	109.8	G467 L487 L488 D507	G467-K496 PolarHBondContact O-NZ 2.8Å; L487-K496 CarbonylContact C-O 3.44Å; L487-K496 VanDerWaalsContact CA-O 3.27Å; L487-K496 WeakPolarHBondContact CA-O 3.22Å; L487-K496 WeakPolarHBondContact CD2-O 3.3Å; L488-K496 PolarHBondContact N-O 2.64Å; L488-K496 PolarHBondContact O-N 3.02Å; K496-D507 WeakPolarHBondContact CE-O 3.42Å
497	S	62.8	Low	65.4	Low	49 Å²	49	56.5 Å²	56.5	34%	0.343	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	143.9	172.5	-177.9	0	0	0	0	110.3	S486 F499 W500	S486-S497 WeakPolarHBondContact O-CA 3.5Å; S497-F499 PolarHBondContact O-N 3.06Å; S497-F499 VanDerWaalsContact O-N 3.08Å; S497-F499 WeakPolarHBondContact OG-CB 3.44Å; S497-F499 PolarHBondContact OG-N 3.06Å; S497-W500 PolarHBondContact O-N 3.17Å
498	V	62.9	Low	65.7	Low	66 Å²	66	54.2 Å²	54.2	40%	0.4	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-58.8	-18.6	172	172.3	0	0	0	0	112.2	S486 L488 W500 K501	S486-V498 PolarHBondContact O-N 3.24Å; L488-V498 HydrophobicContact CB-CG2 4.33Å; V498-W500 VanDerWaalsContact C-N 3.28Å; V498-W500 PolarHBondContact O-N 3.1Å; V498-K501 WeakPolarHBondContact O-CB 3.39Å; V498-K501 PolarHBondContact O-N 2.89Å
499	F	60.1	Low	65.5	Low	103 Å²	103	55.8 Å²	55.8	45%	0.452	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-55.3	-38.9	170.8	174.3	-93.9	0	0	0	113.5	S497 K501	S497-F499 PolarHBondContact O-N 3.06Å; S497-F499 VanDerWaalsContact O-N 3.08Å; S497-F499 WeakPolarHBondContact OG-CB 3.44Å; S497-F499 PolarHBondContact OG-N 3.06Å; F499-K501 PolarHBondContact O-N 3.44Å; F499-K501 VanDerWaalsContact O-N 3.07Å
500	W	63	Low	65.5	Low	55 Å²	55	54 Å²	54	21%	0.208	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-82.2	29.3	-177.2	-53.6	105.5	0	0	0	112.8	S497 V498 D507 D513	S497-W500 PolarHBondContact O-N 3.17Å; V498-W500 VanDerWaalsContact C-N 3.28Å; V498-W500 PolarHBondContact O-N 3.1Å; W500-D507 HydrophobicContact CB-CB 3.99Å; W500-D507 HydrophobicContact CD2-CB 4.16Å; W500-D507 HydrophobicContact CE3-CB 4.03Å; W500-D507 VanDerWaalsContact CE3-OD2 3.23Å; W500-D507 HydrophobicContact CG-CB 4.19Å; W500-D513 WeakPolarHBondContact O-CB 3.23Å
501	K	65.1	Low	65.3	Low	99 Å²	99	54.6 Å²	54.6	43%	0.43	34%	0.343	S	S	.	.	S	Bend	trans	-114.1	118.4	-177.2	-167.7	-163.3	176.6	-174.8	0	108.9	L488 V498 F499 D503 D513	L488-K501 HydrophobicContact CD1-CD 4.21Å; L488-K501 HydrophobicContact CD1-CG 4.36Å; L488-K501 HydrophobicContact CD2-CB 4.16Å; L488-K501 HydrophobicContact CD2-CG 4.26Å; V498-K501 WeakPolarHBondContact O-CB 3.39Å; V498-K501 PolarHBondContact O-N 2.89Å; F499-K501 PolarHBondContact O-N 3.44Å; F499-K501 VanDerWaalsContact O-N 3.07Å; K501-D503 VanDerWaalsContact C-N 3.35Å; K501-D513 WeakPolarHBondContact CG-O 3.35Å
502	C	62.3	Low	65.8	Low	54 Å²	54	53.2 Å²	53.2	37%	0.365	32%	0.323	S	S	.	.	S	Bend	trans	64.7	36.2	-178.8	-54.5	0	0	0	0	113.1	D513 E514 C517	C502-D513 PolarHBondContact N-O 2.96Å; C502-E514 WeakPolarHBondContact CA-OE1 3.35Å; C502-E514 PolarHBondContact N-OE1 3.36Å; C502-C517 VanDerWaalsContact CA-SG 3.54Å; C502-C517 HydrophobicContact CB-CB 3.8Å; C502-C517 WeakPolarHBondContact CB-SG 3.3Å; C502-C517 WeakPolarHBondContact SG-CA 3.41Å; C502-C517 WeakPolarHBondContact SG-CB 3.36Å; C502-C517 CovalentContact SG-SG 2.03Å; C502-C517 PolarHBondContact SG-SG 3.39Å
503	D	59.5	Low	66	Low	64 Å²	64	49.4 Å²	49.4	34%	0.342	30%	0.303	S	S	.	.	S	Bend	trans	-97.2	-1.8	175.3	74.9	4.2	0	0	0	113.3	K501 V505 E514	K501-D503 VanDerWaalsContact C-N 3.35Å; D503-V505 PolarHBondContact OD1-N 2.89Å; D503-E514 PolarHBondContact N-OE1 3.48Å
504	G	59.1	Low	66.4	Low	63 Å²	63	50.8 Å²	50.8	65%	0.649	30%	0.3	S	S	*	.	S	Bend	trans	90.8	5.5	177.8	0	0	0	0	0	114.6	E514	G504-E514 WeakPolarHBondContact CA-OE2 3.35Å; G504-E514 PolarHBondContact N-OE1 3.03Å; G504-E514 PolarHBondContact N-OE2 3.39Å
505	V	57.3	Low	66.5	Low	80 Å²	80	55.9 Å²	55.9	49%	0.485	32%	0.317	S	S	.	.	S	Bend	trans	-121.7	146.1	-179.5	-173.7	0	0	0	0	110.5	D503 D507 E514	D503-V505 PolarHBondContact OD1-N 2.89Å; V505-D507 WeakPolarHBondContact CB-OD2 3.4Å; V505-D507 VanDerWaalsContact CG1-OD2 3.23Å; V505-D507 WeakPolarHBondContact CG1-OD2 3.26Å; V505-D507 PolarHBondContact O-N 2.91Å; V505-E514 WeakPolarHBondContact O-CG 3.3Å
506	D	65.8	Low	66.2	Low	84 Å²	84	59.4 Å²	59.4	45%	0.449	35%	0.354	S	S	.	.			trans	-89.3	81.9	175.1	-178.4	11.5	0	0	0	110.2	G509 D510 G511	D506-G509 WeakPolarHBondContact OD1-CA 3.02Å; D506-G509 PolarHBondContact OD1-N 3.11Å; D506-D510 PolarHBondContact OD1-N 3.46Å; D506-D510 PolarHBondContact OD2-N 2.9Å; D506-G511 VanDerWaalsContact CG-N 3.33Å; D506-G511 WeakPolarHBondContact OD1-CA 3.33Å; D506-G511 PolarHBondContact OD1-N 3.47Å; D506-G511 PolarHBondContact OD2-N 2.96Å
507	D	70.8	Confident	66.1	Low	48 Å²	48	59.8 Å²	59.8	26%	0.257	36%	0.361	S	S	.	.	S	Bend	trans	-88.4	-19	-179.5	-86.4	-79.1	0	0	0	113.1	K496 W500 V505 G509 D513	K496-D507 WeakPolarHBondContact CE-O 3.42Å; W500-D507 HydrophobicContact CB-CB 3.99Å; W500-D507 HydrophobicContact CD2-CB 4.16Å; W500-D507 HydrophobicContact CE3-CB 4.03Å; W500-D507 VanDerWaalsContact CE3-OD2 3.23Å; W500-D507 HydrophobicContact CG-CB 4.19Å; V505-D507 WeakPolarHBondContact CB-OD2 3.4Å; V505-D507 VanDerWaalsContact CG1-OD2 3.23Å; V505-D507 WeakPolarHBondContact CG1-OD2 3.26Å; V505-D507 PolarHBondContact O-N 2.91Å; D507-G509 VanDerWaalsContact C-N 3.32Å; D507-D513 PolarHBondContact N-OD2 3.23Å
508	C	70.4	Confident	66	Low	4 Å²	4	60.4 Å²	60.4	3%	0.027	38%	0.375	C	S	.	.	S	Bend	trans	-72.5	-23.2	165.6	-80.9	0	0	0	0	112.5	C490 N492 D510 D513	C490-C508 HydrophobicContact CB-CB 3.66Å; C490-C508 WeakPolarHBondContact CB-SG 3.03Å; C490-C508 VanDerWaalsContact SG-CA 3.51Å; C490-C508 WeakPolarHBondContact SG-CB 3.22Å; C490-C508 CovalentContact SG-SG 2.04Å; C490-C508 PolarHBondContact SG-SG 2.79Å; N492-C508 PolarHBondContact ND2-O 2.99Å; C508-D510 WeakPolarHBondContact CB-OD1 3.4Å; C508-D510 PolarHBondContact O-N 3.07Å; C508-D513 VanDerWaalsContact CB-OD2 3.31Å; C508-D513 WeakPolarHBondContact CB-OD2 3.37Å; C508-D513 PolarHBondContact N-OD2 3.07Å
509	G	65.3	Low	65.6	Low	60 Å²	60	62 Å²	62	62%	0.619	40%	0.395	S	S	*	.	S	Bend	trans	69.3	16.2	-172.7	0	0	0	0	0	114	D506 D507	D506-G509 WeakPolarHBondContact OD1-CA 3.02Å; D506-G509 PolarHBondContact OD1-N 3.11Å; D507-G509 VanDerWaalsContact C-N 3.32Å
510	D	71.8	Confident	65.5	Low	45 Å²	45	58.3 Å²	58.3	24%	0.241	38%	0.382	C	S	.	.	S	Bend	trans	-143.5	3.7	178.2	75.6	6.6	0	0	0	113.2	G491 N492 D506 C508 T512 R515	G491-D510 WeakPolarHBondContact CA-OD2 3.39Å; G491-D510 PolarHBondContact N-OD2 2.93Å; G491-D510 VanDerWaalsContact N-OD2 3.12Å; N492-D510 WeakPolarHBondContact CB-OD2 3.23Å; N492-D510 VanDerWaalsContact CG-OD2 3.29Å; N492-D510 PolarHBondContact N-OD2 2.74Å; N492-D510 PolarHBondContact ND2-OD2 2.04Å; D506-D510 PolarHBondContact OD1-N 3.46Å; D506-D510 PolarHBondContact OD2-N 2.9Å; C508-D510 WeakPolarHBondContact CB-OD1 3.4Å; C508-D510 PolarHBondContact O-N 3.07Å; D510-T512 VanDerWaalsContact C-N 3.3Å; D510-T512 PolarHBondContact O-N 3.07Å; D510-T512 WeakPolarHBondContact OD1-CB 3.46Å; D510-T512 PolarHBondContact OD1-N 3.09Å; D510-T512 PolarHBondContact OD1-OG1 3.46Å; D510-T512 PolarHBondContact OD2-OG1 3.3Å; D510-R515 PolarHBondContact O-NH2 3.18Å; D510-R515 IonicContact OD1-NH2 3.98Å
511	G	67.1	Low	65.1	Low	17 Å²	17	62 Å²	62	18%	0.175	41%	0.406	C	S	.	.	S	Bend	trans	60.8	28.4	-178.8	0	0	0	0	0	114.6	D506 D513 R515	D506-G511 VanDerWaalsContact CG-N 3.33Å; D506-G511 WeakPolarHBondContact OD1-CA 3.33Å; D506-G511 PolarHBondContact OD1-N 3.47Å; D506-G511 PolarHBondContact OD2-N 2.96Å; G511-D513 VanDerWaalsContact CA-OD1 3.25Å; G511-D513 WeakPolarHBondContact CA-OD1 3.49Å; G511-R515 VanDerWaalsContact O-CG 3.28Å; G511-R515 WeakPolarHBondContact O-CG 3.24Å; G511-R515 PolarHBondContact O-NE 2.85Å
512	T	78.8	Confident	64.2	Low	28 Å²	28	64 Å²	64	17%	0.172	43%	0.426	C	S	.	.	S	Bend	trans	-80.9	-33.4	176.9	-54.2	0	0	0	0	112.9	G491 D510 E514 R515	G491-T512 WeakPolarHBondContact CA-OG1 3.34Å; G491-T512 PolarHBondContact N-OG1 2.97Å; D510-T512 VanDerWaalsContact C-N 3.3Å; D510-T512 PolarHBondContact O-N 3.07Å; D510-T512 WeakPolarHBondContact OD1-CB 3.46Å; D510-T512 PolarHBondContact OD1-N 3.09Å; D510-T512 PolarHBondContact OD1-OG1 3.46Å; D510-T512 PolarHBondContact OD2-OG1 3.3Å; T512-E514 VanDerWaalsContact C-N 3.33Å; T512-R515 PolarHBondContact O-N 3.27Å; T512-R515 PolarHBondContact OG1-NH2 3.22Å
513	D	71.6	Confident	63.8	Low	0 Å²	0	62.5 Å²	62.5	0%	0	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-50.1	163.7	35.3	14.8	0	0	0	112.7	L488 W500 K501 C502 D507 C508 G511 R515	L488-D513 HydrophobicContact CD2-CB 3.88Å; W500-D513 WeakPolarHBondContact O-CB 3.23Å; K501-D513 WeakPolarHBondContact CG-O 3.35Å; C502-D513 PolarHBondContact N-O 2.96Å; D507-D513 PolarHBondContact N-OD2 3.23Å; C508-D513 VanDerWaalsContact CB-OD2 3.31Å; C508-D513 WeakPolarHBondContact CB-OD2 3.37Å; C508-D513 PolarHBondContact N-OD2 3.07Å; G511-D513 VanDerWaalsContact CA-OD1 3.25Å; G511-D513 WeakPolarHBondContact CA-OD1 3.49Å; D513-R515 PolarHBondContact O-N 2.81Å
514	E	74.8	Confident	64	Low	61 Å²	61	65.5 Å²	65.5	29%	0.285	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.7	-176.9	-63.8	-56.1	105.9	0	0	113.8	C502 D503 G504 V505 T512	C502-E514 WeakPolarHBondContact CA-OE1 3.35Å; C502-E514 PolarHBondContact N-OE1 3.36Å; D503-E514 PolarHBondContact N-OE1 3.48Å; G504-E514 WeakPolarHBondContact CA-OE2 3.35Å; G504-E514 PolarHBondContact N-OE1 3.03Å; G504-E514 PolarHBondContact N-OE2 3.39Å; V505-E514 WeakPolarHBondContact O-CG 3.3Å; T512-E514 VanDerWaalsContact C-N 3.33Å
515	R	69.8	Low	64.4	Low	148 Å²	148	64 Å²	64	56%	0.558	41%	0.405	S	S	*	.	S	Bend	trans	-98.5	121.4	-179.9	-90.6	-178.8	-82.3	140.8	-6.3	112.4	D510 G511 T512 D513	D510-R515 PolarHBondContact O-NH2 3.18Å; D510-R515 IonicContact OD1-NH2 3.98Å; G511-R515 VanDerWaalsContact O-CG 3.28Å; G511-R515 WeakPolarHBondContact O-CG 3.24Å; G511-R515 PolarHBondContact O-NE 2.85Å; T512-R515 PolarHBondContact O-N 3.27Å; T512-R515 PolarHBondContact OG1-NH2 3.22Å; D513-R515 PolarHBondContact O-N 2.81Å
516	G	64.8	Low	65	Low	75 Å²	75	64 Å²	64	77%	0.773	41%	0.405	S	S	*	.	S	Bend	trans	89	21.6	173.9	0	0	0	0	0	114.5	G518	G516-G518 PolarHBondContact O-N 3.48Å
517	C	64.6	Low	65.3	Low	53 Å²	53	60.2 Å²	60.2	36%	0.358	39%	0.385	S	S	.	.			trans	-58.3	127.2	167.5	-51.3	0	0	0	0	110	C502	C502-C517 VanDerWaalsContact CA-SG 3.54Å; C502-C517 HydrophobicContact CB-CB 3.8Å; C502-C517 WeakPolarHBondContact CB-SG 3.3Å; C502-C517 WeakPolarHBondContact SG-CA 3.41Å; C502-C517 WeakPolarHBondContact SG-CB 3.36Å; C502-C517 CovalentContact SG-SG 2.03Å; C502-C517 PolarHBondContact SG-SG 3.39Å
518	G	60.7	Low	65.5	Low	62 Å²	62	63.7 Å²	63.7	64%	0.639	41%	0.408	S	S	*	.			trans	-73.4	-173.6	177.5	0	0	0	0	0	112.2	G516 C520	G516-G518 PolarHBondContact O-N 3.48Å; G518-C520 PolarHBondContact O-N 2.88Å
519	A	55.3	Low	65.4	Low	99 Å²	99	67.2 Å²	67.2	82%	0.818	43%	0.427	S	S	*	.	S	Bend	trans	-52.5	135.4	171.4	0	0	0	0	0	110.2
520	C	57.3	Low	65.4	Low	26 Å²	26	72.7 Å²	72.7	18%	0.176	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-54.6	145.9	-169.4	-48.6	0	0	0	0	112.4	G518 T526 C532	G518-C520 PolarHBondContact O-N 2.88Å; C520-T526 PolarHBondContact SG-OG1 3.03Å; C520-C532 HydrophobicContact CB-CB 3.87Å; C520-C532 WeakPolarHBondContact CB-SG 3.42Å; C520-C532 VanDerWaalsContact SG-CA 3.55Å; C520-C532 WeakPolarHBondContact SG-CB 3.49Å; C520-C532 CovalentContact SG-SG 2.04Å; C520-C532 PolarHBondContact SG-SG 3.22Å
521	D	55.4	Low	65.1	Low	133 Å²	133	75.5 Å²	75.5	71%	0.711	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-63.8	156.8	179.1	-125.5	-23.3	0	0	0	111.6	G523 Y524	D521-G523 PolarHBondContact O-N 2.77Å; D521-Y524 PolarHBondContact O-N 3.48Å; D521-Y524 VanDerWaalsContact O-N 3.12Å
522	T	46.1	Very low	65.2	Low	139 Å²	139	77.4 Å²	77.4	85%	0.853	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	123.4	-175.8	50.7	0	0	0	0	111.9
523	G	54.4	Low	64.5	Low	24 Å²	24	76.6 Å²	76.6	25%	0.247	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.2	-1.9	-171.4	0	0	0	0	0	114.8	D521 S534 E535	D521-G523 PolarHBondContact O-N 2.77Å; G523-S534 PolarHBondContact O-OG 3.42Å; G523-E535 VanDerWaalsContact CA-CD 3.45Å; G523-E535 WeakPolarHBondContact CA-OE1 3.36Å; G523-E535 PolarHBondContact N-OE1 3.05Å; G523-E535 PolarHBondContact O-N 2.88Å
524	Y	62.7	Low	64.1	Low	126 Å²	126	78 Å²	78	49%	0.494	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.8	177.3	-66.7	-94.7	0	0	0	111.8	D521 V533	D521-Y524 PolarHBondContact O-N 3.48Å; D521-Y524 VanDerWaalsContact O-N 3.12Å; Y524-V533 CarbonylContact C-O 3.5Å; Y524-V533 VanDerWaalsContact CA-O 3.29Å; Y524-V533 WeakPolarHBondContact CA-O 3.43Å
525	I	67.9	Low	63.7	Low	31 Å²	31	80.3 Å²	80.3	16%	0.159	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.5	170.8	57.2	156.3	0	0	0	110.9	C532 V533 E535 Q538 D550	I525-C532 WeakPolarHBondContact O-CA 3.42Å; I525-V533 HydrophobicContact CD1-CG2 3.72Å; I525-V533 HydrophobicContact CG1-CG2 3.55Å; I525-V533 WeakPolarHBondContact CG1-O 3.28Å; I525-V533 PolarHBondContact N-O 2.64Å; I525-V533 PolarHBondContact O-N 2.94Å; I525-E535 HydrophobicContact CG2-CG 3.85Å; I525-Q538 HydrophobicContact CD1-CB 3.81Å; I525-Q538 HydrophobicContact CD1-CG 3.99Å; I525-D550 HydrophobicContact CD1-CB 4.27Å
526	T	69.9	Low	63.3	Low	81 Å²	81	79.6 Å²	79.6	50%	0.497	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.6	173.8	-42.5	0	0	0	0	109.9	C520	C520-T526 PolarHBondContact SG-OG1 3.03Å
527	C	72.8	Confident	63.5	Low	5 Å²	5	79.9 Å²	79.9	3%	0.034	45%	0.452	C	S	.	.			trans	-63.7	162.9	171.2	-57.3	0	0	0	0	111.6	N529 K530 K531 C545	C527-N529 VanDerWaalsContact C-N 3.26Å; C527-N529 WeakPolarHBondContact CB-OD1 3.37Å; C527-N529 PolarHBondContact O-N 3.29Å; C527-K530 WeakPolarHBondContact O-CA 3.23Å; C527-K530 PolarHBondContact O-N 3.38Å; C527-K531 HydrophobicContact CB-CB 4.12Å; C527-K531 WeakPolarHBondContact CB-O 3.23Å; C527-K531 PolarHBondContact N-O 3.17Å; C527-K531 PolarHBondContact SG-O 3.38Å; C527-K531 VanDerWaalsContact SG-O 3.38Å; C527-C545 HydrophobicContact CB-CB 3.69Å; C527-C545 WeakPolarHBondContact CB-SG 3Å; C527-C545 WeakPolarHBondContact SG-CA 3.41Å; C527-C545 WeakPolarHBondContact SG-CB 3.44Å; C527-C545 CovalentContact SG-SG 2.03Å; C527-C545 PolarHBondContact SG-SG 2.79Å
528	T	73.4	Confident	63.8	Low	120 Å²	120	82 Å²	82	74%	0.736	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.3	179.9	-53.4	0	0	0	0	111.9	K530 S549	T528-K530 PolarHBondContact O-N 3.44Å; T528-S549 WeakPolarHBondContact CB-OG 3.18Å; T528-S549 PolarHBondContact N-OG 3.01Å; T528-S549 PolarHBondContact OG1-OG 2.67Å
529	N	69.1	Low	64.1	Low	79 Å²	79	81.8 Å²	81.8	42%	0.422	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	3.2	171.4	66	18.1	0	0	0	115.3	C527 K531 C545 D547	C527-N529 VanDerWaalsContact C-N 3.26Å; C527-N529 WeakPolarHBondContact CB-OD1 3.37Å; C527-N529 PolarHBondContact O-N 3.29Å; N529-K531 VanDerWaalsContact C-N 3.31Å; N529-K531 PolarHBondContact O-N 3.12Å; N529-K531 WeakPolarHBondContact OD1-CB 3.23Å; N529-K531 PolarHBondContact OD1-N 3.11Å; N529-C545 PolarHBondContact ND2-O 2.85Å; N529-D547 WeakPolarHBondContact CB-OD2 2.91Å; N529-D547 PolarHBondContact N-OD2 3.2Å; N529-D547 PolarHBondContact ND2-OD2 3Å
530	K	66	Low	64.6	Low	175 Å²	175	80.3 Å²	80.3	76%	0.761	42%	0.423	S	S	*	.	S	Bend	trans	70	10.7	-176.5	-51	179.7	-178.5	177.9	0	116.5	C527 T528	C527-K530 WeakPolarHBondContact O-CA 3.23Å; C527-K530 PolarHBondContact O-N 3.38Å; T528-K530 PolarHBondContact O-N 3.44Å
531	K	65.5	Low	64.9	Low	103 Å²	103	82 Å²	82	45%	0.448	45%	0.445	S	S	.	.			trans	-65.4	143	165.8	-168.5	-176.7	-176.8	-171.3	0	109.6	C527 N529 V533 D544 C545	C527-K531 HydrophobicContact CB-CB 4.12Å; C527-K531 WeakPolarHBondContact CB-O 3.23Å; C527-K531 PolarHBondContact N-O 3.17Å; C527-K531 PolarHBondContact SG-O 3.38Å; C527-K531 VanDerWaalsContact SG-O 3.38Å; N529-K531 VanDerWaalsContact C-N 3.31Å; N529-K531 PolarHBondContact O-N 3.12Å; N529-K531 WeakPolarHBondContact OD1-CB 3.23Å; N529-K531 PolarHBondContact OD1-N 3.11Å; K531-V533 HydrophobicContact CD-CG1 4.32Å; K531-V533 HydrophobicContact CG-CG1 4.45Å; K531-D544 PolarHBondContact NZ-O 2.95Å; K531-C545 WeakPolarHBondContact CD-O 3.31Å
532	C	67.9	Low	65.5	Low	58 Å²	58	82.1 Å²	82.1	39%	0.392	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.5	170.7	-63.1	0	0	0	0	109.1	C520 I525	C520-C532 HydrophobicContact CB-CB 3.87Å; C520-C532 WeakPolarHBondContact CB-SG 3.42Å; C520-C532 VanDerWaalsContact SG-CA 3.55Å; C520-C532 WeakPolarHBondContact SG-CB 3.49Å; C520-C532 CovalentContact SG-SG 2.04Å; C520-C532 PolarHBondContact SG-SG 3.22Å; I525-C532 WeakPolarHBondContact O-CA 3.42Å
533	V	65.6	Low	66.8	Low	10 Å²	10	79.4 Å²	79.4	6%	0.061	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.4	169	-58.9	0	0	0	0	108.9	Y524 I525 K531	Y524-V533 CarbonylContact C-O 3.5Å; Y524-V533 VanDerWaalsContact CA-O 3.29Å; Y524-V533 WeakPolarHBondContact CA-O 3.43Å; I525-V533 HydrophobicContact CD1-CG2 3.72Å; I525-V533 HydrophobicContact CG1-CG2 3.55Å; I525-V533 WeakPolarHBondContact CG1-O 3.28Å; I525-V533 PolarHBondContact N-O 2.64Å; I525-V533 PolarHBondContact O-N 2.94Å; K531-V533 HydrophobicContact CD-CG1 4.32Å; K531-V533 HydrophobicContact CG-CG1 4.45Å
534	S	63.3	Low	67.7	Low	29 Å²	29	80 Å²	80	20%	0.203	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	146.4	-176.6	-177.6	0	0	0	0	111.1	G523 Q536 K537	G523-S534 PolarHBondContact O-OG 3.42Å; S534-Q536 PolarHBondContact O-N 3.22Å; S534-Q536 PolarHBondContact OG-N 3.33Å; S534-K537 PolarHBondContact O-N 2.83Å
535	E	65.2	Low	68.2	Low	110 Å²	110	74.1 Å²	74.1	51%	0.514	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-51.1	-25.7	169.4	-79	169.9	-163.1	0	0	112.6	G523 I525 K537 Q538	G523-E535 VanDerWaalsContact CA-CD 3.45Å; G523-E535 WeakPolarHBondContact CA-OE1 3.36Å; G523-E535 PolarHBondContact N-OE1 3.05Å; G523-E535 PolarHBondContact O-N 2.88Å; I525-E535 HydrophobicContact CG2-CG 3.85Å; E535-K537 VanDerWaalsContact C-N 3.32Å; E535-Q538 WeakPolarHBondContact O-CB 3.28Å; E535-Q538 PolarHBondContact O-N 2.99Å
536	Q	61.5	Low	68.3	Low	133 Å²	133	75.4 Å²	75.4	62%	0.621	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-80.3	-8.9	178.9	-61	176.5	-0.4	0	0	114.4	S534	S534-Q536 PolarHBondContact O-N 3.22Å; S534-Q536 PolarHBondContact OG-N 3.33Å
537	K	70.1	Confident	68.5	Low	82 Å²	82	74.2 Å²	74.2	36%	0.357	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-98.8	-0.3	173	-65.9	-170.1	161.6	-160.4	0	112.6	S534 E535 C539 D544	S534-K537 PolarHBondContact O-N 2.83Å; E535-K537 VanDerWaalsContact C-N 3.32Å; K537-C539 PolarHBondContact O-N 3.45Å; K537-D544 HydrophobicContact CB-CB 4.44Å; K537-D544 HydrophobicContact CD-CB 4Å; K537-D544 WeakPolarHBondContact CD-OD1 3.38Å; K537-D544 IonicContact NZ-OD1 3.63Å; K537-D544 PolarHBondContact NZ-OD1 2.53Å; K537-D544 IonicContact NZ-OD2 3.64Å
538	Q	69.1	Low	68.6	Low	96 Å²	96	77.1 Å²	77.1	45%	0.449	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	122.2	169.5	-167.5	169.9	39.3	0	0	108.6	I525 E535	I525-Q538 HydrophobicContact CD1-CB 3.81Å; I525-Q538 HydrophobicContact CD1-CG 3.99Å; E535-Q538 WeakPolarHBondContact O-CB 3.28Å; E535-Q538 PolarHBondContact O-N 2.99Å
539	C	67.6	Low	68.8	Low	58 Å²	58	72.7 Å²	72.7	39%	0.392	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	30.4	179.3	-54.4	0	0	0	0	115.5	K537 D550 E551 C554	K537-C539 PolarHBondContact O-N 3.45Å; C539-D550 PolarHBondContact N-O 3.24Å; C539-E551 WeakPolarHBondContact CA-OE1 3.48Å; C539-E551 PolarHBondContact N-OE1 2.03Å; C539-C554 WeakPolarHBondContact CA-SG 3.39Å; C539-C554 HydrophobicContact CB-CB 3.59Å; C539-C554 WeakPolarHBondContact CB-SG 3.31Å; C539-C554 WeakPolarHBondContact SG-CA 3.37Å; C539-C554 WeakPolarHBondContact SG-CB 3.36Å; C539-C554 CovalentContact SG-SG 2.02Å; C539-C554 PolarHBondContact SG-SG 3.22Å
540	D	66.4	Low	69.1	Low	68 Å²	68	69 Å²	69	36%	0.364	38%	0.375	S	S	.	.	S	Bend	trans	-89.8	-5.6	176.5	86.7	6.2	0	0	0	113.9	K542 E551	D540-K542 WeakPolarHBondContact OD1-CB 3.48Å; D540-K542 PolarHBondContact OD1-N 3.28Å; D540-E551 PolarHBondContact N-OE1 3.03Å
541	G	63.1	Low	69.7	Low	61 Å²	61	62.6 Å²	62.6	63%	0.629	35%	0.348	S	S	*	.	S	Bend	trans	90.8	7	177	0	0	0	0	0	115	E551	G541-E551 WeakPolarHBondContact CA-OE2 3.18Å; G541-E551 PolarHBondContact N-OE1 2.82Å; G541-E551 VanDerWaalsContact N-OE1 3.1Å; G541-E551 PolarHBondContact N-OE2 3.02Å
542	K	68.4	Low	69.7	Low	137 Å²	137	63.9 Å²	63.9	60%	0.596	36%	0.359	S	S	*	.	S	Bend	trans	-121	150.6	177.5	-63.1	172.2	-176.2	167.8	0	111.3	D540 D544 E551	D540-K542 WeakPolarHBondContact OD1-CB 3.48Å; D540-K542 PolarHBondContact OD1-N 3.28Å; K542-D544 VanDerWaalsContact C-N 3.32Å; K542-D544 PolarHBondContact O-N 2.78Å; K542-D544 VanDerWaalsContact O-N 3.1Å; K542-E551 WeakPolarHBondContact O-CG 3.5Å
543	D	73.4	Confident	69.5	Low	81 Å²	81	68.2 Å²	68.2	43%	0.433	38%	0.378	S	S	.	.			trans	-83.2	78.6	173.3	-177.4	7.2	0	0	0	109.6	G546 D547 N548	D543-G546 WeakPolarHBondContact OD1-CA 3Å; D543-G546 PolarHBondContact OD1-N 2.68Å; D543-D547 PolarHBondContact OD1-N 3.25Å; D543-D547 VanDerWaalsContact OD1-N 3.14Å; D543-N548 HydrophobicContact CB-CB 4.39Å; D543-N548 VanDerWaalsContact OD1-CA 3.24Å; D543-N548 WeakPolarHBondContact OD1-CA 3.29Å; D543-N548 PolarHBondContact OD1-N 2.65Å
544	D	73.9	Confident	69.6	Low	38 Å²	38	69.8 Å²	69.8	20%	0.203	39%	0.389	C	S	.	.	S	Bend	trans	-83.6	-25.3	179	-99.8	-88.6	0	0	0	111.8	K531 K537 K542 G546 D550	K531-D544 PolarHBondContact NZ-O 2.95Å; K537-D544 HydrophobicContact CB-CB 4.44Å; K537-D544 HydrophobicContact CD-CB 4Å; K537-D544 WeakPolarHBondContact CD-OD1 3.38Å; K537-D544 IonicContact NZ-OD1 3.63Å; K537-D544 PolarHBondContact NZ-OD1 2.53Å; K537-D544 IonicContact NZ-OD2 3.64Å; K542-D544 VanDerWaalsContact C-N 3.32Å; K542-D544 PolarHBondContact O-N 2.78Å; K542-D544 VanDerWaalsContact O-N 3.1Å; D544-G546 VanDerWaalsContact C-N 3.32Å; D544-D550 WeakPolarHBondContact CA-OD2 3.34Å; D544-D550 WeakPolarHBondContact CB-OD2 3.43Å; D544-D550 PolarHBondContact N-OD2 3.04Å
545	C	71.9	Confident	69.2	Low	2 Å²	2	78.5 Å²	78.5	1%	0.014	42%	0.423	C	S	.	.	S	Bend	trans	-66.3	-29.8	169.4	-79.6	0	0	0	0	113	C527 N529 K531 D547 D550	C527-C545 HydrophobicContact CB-CB 3.69Å; C527-C545 WeakPolarHBondContact CB-SG 3Å; C527-C545 WeakPolarHBondContact SG-CA 3.41Å; C527-C545 WeakPolarHBondContact SG-CB 3.44Å; C527-C545 CovalentContact SG-SG 2.03Å; C527-C545 PolarHBondContact SG-SG 2.79Å; N529-C545 PolarHBondContact ND2-O 2.85Å; K531-C545 WeakPolarHBondContact CD-O 3.31Å; C545-D547 VanDerWaalsContact CB-OD1 3.23Å; C545-D547 WeakPolarHBondContact CB-OD1 3.29Å; C545-D547 PolarHBondContact O-N 2.64Å; C545-D550 PolarHBondContact N-OD2 2.81Å; C545-D550 PolarHBondContact SG-OD2 3.03Å
546	G	69.4	Low	68.5	Low	57 Å²	57	82.7 Å²	82.7	59%	0.588	44%	0.44	S	S	*	.	S	Bend	trans	75.7	5.2	-170.9	0	0	0	0	0	114.2	D543 D544	D543-G546 WeakPolarHBondContact OD1-CA 3Å; D543-G546 PolarHBondContact OD1-N 2.68Å; D544-G546 VanDerWaalsContact C-N 3.32Å
547	D	75.4	Confident	67.6	Low	57 Å²	57	84 Å²	84	31%	0.305	45%	0.451	S	S	.	.	S	Bend	trans	-133	8.9	172.3	70.4	7.1	0	0	0	111.9	N529 D543 C545 S549	N529-D547 WeakPolarHBondContact CB-OD2 2.91Å; N529-D547 PolarHBondContact N-OD2 3.2Å; N529-D547 PolarHBondContact ND2-OD2 3Å; D543-D547 PolarHBondContact OD1-N 3.25Å; D543-D547 VanDerWaalsContact OD1-N 3.14Å; C545-D547 VanDerWaalsContact CB-OD1 3.23Å; C545-D547 WeakPolarHBondContact CB-OD1 3.29Å; C545-D547 PolarHBondContact O-N 2.64Å; D547-S549 PolarHBondContact O-N 2.75Å; D547-S549 WeakPolarHBondContact OD1-CB 3.02Å; D547-S549 PolarHBondContact OD1-N 2.72Å; D547-S549 VanDerWaalsContact OD1-N 3.09Å; D547-S549 PolarHBondContact OD1-OG 2.73Å; D547-S549 PolarHBondContact OD2-OG 3.11Å
548	N	74.2	Confident	66.2	Low	65 Å²	65	85.3 Å²	85.3	35%	0.348	47%	0.471	S	S	.	.	S	Bend	trans	57.5	24.3	179.8	-157.5	79.1	0	0	0	114.7	D543 L552	D543-N548 HydrophobicContact CB-CB 4.39Å; D543-N548 VanDerWaalsContact OD1-CA 3.24Å; D543-N548 WeakPolarHBondContact OD1-CA 3.29Å; D543-N548 PolarHBondContact OD1-N 2.65Å; N548-L552 WeakPolarHBondContact O-CD1 3.32Å; N548-L552 VanDerWaalsContact O-CG 3.31Å; N548-L552 WeakPolarHBondContact O-CG 3.4Å
549	S	77.8	Confident	65.2	Low	27 Å²	27	90 Å²	90	19%	0.189	49%	0.492	C	S	.	.			trans	-67.5	-31.4	179.6	-64.6	0	0	0	0	114.7	T528 D547 E551	T528-S549 WeakPolarHBondContact CB-OG 3.18Å; T528-S549 PolarHBondContact N-OG 3.01Å; T528-S549 PolarHBondContact OG1-OG 2.67Å; D547-S549 PolarHBondContact O-N 2.75Å; D547-S549 WeakPolarHBondContact OD1-CB 3.02Å; D547-S549 PolarHBondContact OD1-N 2.72Å; D547-S549 VanDerWaalsContact OD1-N 3.09Å; D547-S549 PolarHBondContact OD1-OG 2.73Å; D547-S549 PolarHBondContact OD2-OG 3.11Å; S549-E551 VanDerWaalsContact C-N 3.33Å
550	D	75.4	Confident	64.7	Low	1 Å²	1	90.1 Å²	90.1	1%	0.005	49%	0.491	C	S	.	.	S	Bend	trans	-63.6	-33.8	178.2	31.4	7.9	0	0	0	113	I525 C539 D544 C545	I525-D550 HydrophobicContact CD1-CB 4.27Å; C539-D550 PolarHBondContact N-O 3.24Å; D544-D550 WeakPolarHBondContact CA-OD2 3.34Å; D544-D550 WeakPolarHBondContact CB-OD2 3.43Å; D544-D550 PolarHBondContact N-OD2 3.04Å; C545-D550 PolarHBondContact N-OD2 2.81Å; C545-D550 PolarHBondContact SG-OD2 3.03Å
551	E	78.1	Confident	64.1	Low	42 Å²	42	94.9 Å²	94.9	20%	0.196	51%	0.512	C	S	.	.	S	Bend	trans	-95.5	-4.3	-171.8	-68.9	-57.2	120.7	0	0	115.4	C539 D540 G541 K542 S549 N553 C554	C539-E551 WeakPolarHBondContact CA-OE1 3.48Å; C539-E551 PolarHBondContact N-OE1 2.03Å; D540-E551 PolarHBondContact N-OE1 3.03Å; G541-E551 WeakPolarHBondContact CA-OE2 3.18Å; G541-E551 PolarHBondContact N-OE1 2.82Å; G541-E551 VanDerWaalsContact N-OE1 3.1Å; G541-E551 PolarHBondContact N-OE2 3.02Å; K542-E551 WeakPolarHBondContact O-CG 3.5Å; S549-E551 VanDerWaalsContact C-N 3.33Å; E551-N553 PolarHBondContact O-N 3.08Å; E551-C554 PolarHBondContact O-SG 3.17Å; E551-C554 VanDerWaalsContact O-SG 3.41Å
552	L	65.6	Low	63.8	Low	129 Å²	129	95.2 Å²	95.2	68%	0.675	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.1	-166.7	-80.2	167.8	0	0	0	116.2	N548	N548-L552 WeakPolarHBondContact O-CD1 3.32Å; N548-L552 VanDerWaalsContact O-CG 3.31Å; N548-L552 WeakPolarHBondContact O-CG 3.4Å
553	N	63.7	Low	63.5	Low	150 Å²	150	92.4 Å²	92.4	80%	0.802	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	38	-169.9	-148.9	0.8	0	0	0	115.1	E551	E551-N553 PolarHBondContact O-N 3.08Å
554	C	69.3	Low	62.7	Low	43 Å²	43	98.3 Å²	98.3	29%	0.291	52%	0.523	S	S	.	.			trans	-96.1	117.2	-167.5	-53.6	0	0	0	0	113.3	C539 E551 K556	C539-C554 WeakPolarHBondContact CA-SG 3.39Å; C539-C554 HydrophobicContact CB-CB 3.59Å; C539-C554 WeakPolarHBondContact CB-SG 3.31Å; C539-C554 WeakPolarHBondContact SG-CA 3.37Å; C539-C554 WeakPolarHBondContact SG-CB 3.36Å; C539-C554 CovalentContact SG-SG 2.02Å; C539-C554 PolarHBondContact SG-SG 3.22Å; E551-C554 PolarHBondContact O-SG 3.17Å; E551-C554 VanDerWaalsContact O-SG 3.41Å; C554-K556 PolarHBondContact O-N 3.45Å; C554-K556 VanDerWaalsContact O-N 3.15Å
555	K	54.2	Low	61.6	Low	212 Å²	212	99.7 Å²	99.7	92%	0.922	54%	0.536	S	S	*	.			trans	-77.8	96.7	178.4	-74.3	-177.4	179.6	174	0	112	N557	K555-N557 PolarHBondContact O-N 2.94Å; K555-N557 VanDerWaalsContact O-N 3.1Å
556	K	50.3	Low	61.3	Low	197 Å²	197	100.5 Å²	100.5	86%	0.857	54%	0.54	S	S	*	.			trans	-72.8	94.4	171.4	-69.4	-174.6	175.8	-178.3	0	112.5	C554	C554-K556 PolarHBondContact O-N 3.45Å; C554-K556 VanDerWaalsContact O-N 3.15Å
557	N	42.8	Very low	61.2	Low	160 Å²	160	101.2 Å²	101.2	86%	0.856	53%	0.526	S	S	*	.			trans	169.1	120.9	138.1	-99.7	-8.3	0	0	0	113.2	K555	K555-N557 PolarHBondContact O-N 2.94Å; K555-N557 VanDerWaalsContact O-N 3.1Å
558	S	40.5	Very low	61.1	Low	111 Å²	111	104.8 Å²	104.8	78%	0.776	54%	0.539	S	S	*	.			trans	-170.1	139.5	138	49.6	0	0	0	0	110.2	V560	S558-V560 PolarHBondContact O-N 3.42Å
559	E	47.4	Very low	61.1	Low	193 Å²	193	101.9 Å²	101.9	90%	0.902	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-61.5	127.6	174.1	-62.3	172	139.5	0	0	110.4	Q561	E559-Q561 PolarHBondContact O-N 3.19Å
560	V	56.8	Low	61	Low	61 Å²	61	107.8 Å²	107.8	37%	0.37	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-67	118.2	-178.6	173.9	0	0	0	0	110.1	S558 T566 C574 D576	S558-V560 PolarHBondContact O-N 3.42Å; V560-T566 HydrophobicContact CG1-CG2 3.83Å; V560-C574 WeakPolarHBondContact CB-O 3.25Å; V560-C574 HydrophobicContact CG1-CB 4.18Å; V560-D576 HydrophobicContact CG1-CB 3.91Å; V560-D576 HydrophobicContact CG2-CB 3.96Å
561	Q	54.5	Low	60.8	Low	169 Å²	169	111.2 Å²	111.2	79%	0.79	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-72.7	134.6	170.7	-73	-94	-51.2	0	0	109.8	E559 T563	E559-Q561 PolarHBondContact O-N 3.19Å; Q561-T563 PolarHBondContact O-N 3.02Å; Q561-T563 VanDerWaalsContact O-N 3.13Å
562	C	56.8	Low	60.4	Low	67 Å²	67	110.9 Å²	110.9	45%	0.453	57%	0.572	S	S	.	*			trans	-68.6	107.3	178.7	-60.3	0	0	0	0	112.2	T566 C574	C562-T566 WeakPolarHBondContact CA-OG1 3.47Å; C562-C574 VanDerWaalsContact CA-SG 3.51Å; C562-C574 HydrophobicContact CB-CB 3.96Å; C562-C574 WeakPolarHBondContact CB-SG 3.41Å; C562-C574 WeakPolarHBondContact SG-CB 3.32Å; C562-C574 CovalentContact SG-SG 2.03Å; C562-C574 PolarHBondContact SG-SG 3.01Å
563	T	62.5	Low	60.8	Low	79 Å²	79	109.9 Å²	109.9	49%	0.485	56%	0.562	S	S	.	*			trans	-109.4	171.4	168.9	62.2	0	0	0	0	110.6	Q561 S565 T566	Q561-T563 PolarHBondContact O-N 3.02Å; Q561-T563 VanDerWaalsContact O-N 3.13Å; T563-S565 PolarHBondContact O-N 3.11Å; T563-S565 VanDerWaalsContact O-N 3.14Å; T563-S565 PolarHBondContact OG1-OG 2.7Å; T563-S565 VanDerWaalsContact OG1-OG 3.11Å; T563-T566 PolarHBondContact N-OG1 2.89Å; T563-T566 PolarHBondContact O-N 2.68Å; T563-T566 VanDerWaalsContact O-N 3.1Å; T563-T566 PolarHBondContact O-OG1 3.03Å; T563-T566 WeakPolarHBondContact OG1-CG2 3.41Å
564	E	55.9	Low	61.3	Low	204 Å²	204	103.4 Å²	103.4	95%	0.953	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.3	178.3	-65.9	-172.1	145.5	0	0	113.6
565	S	50.7	Low	61.4	Low	68 Å²	68	102.5 Å²	102.5	48%	0.476	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.5	179.7	61.9	0	0	0	0	114.8	T563	T563-S565 PolarHBondContact O-N 3.11Å; T563-S565 VanDerWaalsContact O-N 3.14Å; T563-S565 PolarHBondContact OG1-OG 2.7Å; T563-S565 VanDerWaalsContact OG1-OG 3.11Å
566	T	65.9	Low	62	Low	18 Å²	18	98.4 Å²	98.4	11%	0.11	51%	0.509	C	S	.	.	S	Bend	trans	-107.7	140.5	-179.4	58.3	0	0	0	0	111.4	V560 C562 T563 I575 D576	V560-T566 HydrophobicContact CG1-CG2 3.83Å; C562-T566 WeakPolarHBondContact CA-OG1 3.47Å; T563-T566 PolarHBondContact N-OG1 2.89Å; T563-T566 PolarHBondContact O-N 2.68Å; T563-T566 VanDerWaalsContact O-N 3.1Å; T563-T566 PolarHBondContact O-OG1 3.03Å; T563-T566 WeakPolarHBondContact OG1-CG2 3.41Å; T566-I575 WeakPolarHBondContact CA-O 3.22Å; T566-I575 WeakPolarHBondContact CB-O 3.45Å; T566-D576 HydrophobicContact CG2-CB 4.29Å
567	Y	67.2	Low	62.6	Low	72 Å²	72	92.5 Å²	92.5	28%	0.282	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.8	174.1	-179.3	-100.5	0	0	0	110.4	C574 I575 P580 V581 S592 D593	Y567-C574 CarbonylContact O-C 3.56Å; Y567-C574 VanDerWaalsContact O-CA 3.24Å; Y567-C574 WeakPolarHBondContact O-CA 3.37Å; Y567-I575 HydrophobicContact CD1-CD1 4.5Å; Y567-I575 PolarHBondContact N-O 2.94Å; Y567-I575 VanDerWaalsContact N-O 3.14Å; Y567-I575 PolarHBondContact O-N 2.99Å; Y567-P580 VanDerWaalsContact CB-CG 3.46Å; Y567-P580 HydrophobicContact CD1-CG 4.36Å; Y567-P580 HydrophobicContact CG-CG 3.99Å; Y567-V581 HydrophobicContact CD1-CG2 4.49Å; Y567-V581 HydrophobicContact CD2-CG2 3.38Å; Y567-V581 HydrophobicContact CE1-CG2 4.41Å; Y567-V581 HydrophobicContact CE2-CG2 3.27Å; Y567-V581 HydrophobicContact CG-CG2 4.01Å; Y567-S592 PolarHBondContact OH-O 3.1Å; Y567-D593 HydrophobicContact CD1-CB 4.41Å; Y567-D593 HydrophobicContact CE1-CB 3.92Å
568	K	74.2	Confident	63.4	Low	132 Å²	132	92.3 Å²	92.3	57%	0.574	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.6	178	-174.9	170.5	-177.7	176.9	0	111.1	C574	K568-C574 VanDerWaalsContact CB-SG 3.53Å
569	C	74.4	Confident	64.3	Low	5 Å²	5	88.1 Å²	88.1	3%	0.034	44%	0.444	C	S	.	.			trans	-59.6	156.3	172	-56.3	0	0	0	0	111.6	N571 G572 K573 I575 C588 S592	C569-N571 VanDerWaalsContact CB-OD1 3.3Å; C569-N571 WeakPolarHBondContact CB-OD1 3.42Å; C569-N571 PolarHBondContact O-N 3.03Å; C569-G572 WeakPolarHBondContact O-CA 3.41Å; C569-G572 PolarHBondContact O-N 3.22Å; C569-K573 WeakPolarHBondContact CB-O 3.38Å; C569-K573 PolarHBondContact N-O 3.18Å; C569-I575 WeakPolarHBondContact SG-CD1 3.32Å; C569-C588 HydrophobicContact CB-CB 3.91Å; C569-C588 WeakPolarHBondContact CB-SG 3.38Å; C569-C588 WeakPolarHBondContact SG-CB 3.41Å; C569-C588 CovalentContact SG-SG 2.04Å; C569-C588 PolarHBondContact SG-SG 3.2Å; C569-S592 WeakPolarHBondContact CA-OG 3.45Å
570	K	74.6	Confident	65.1	Low	150 Å²	150	79.1 Å²	79.1	65%	0.652	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.1	179.3	-166	179	-168.2	173.3	0	112.5	G572 D590 S592 E595	K570-G572 PolarHBondContact O-N 3.38Å; K570-D590 WeakPolarHBondContact CB-OD2 3.38Å; K570-D590 PolarHBondContact N-OD2 3Å; K570-S592 VanDerWaalsContact CB-CB 3.46Å; K570-S592 PolarHBondContact N-OG 3.31Å; K570-E595 IonicContact NZ-OE1 2.94Å; K570-E595 PolarHBondContact NZ-OE1 2.97Å; K570-E595 IonicContact NZ-OE2 2.67Å; K570-E595 PolarHBondContact NZ-OE2 2.84Å
571	N	71.5	Confident	65.4	Low	73 Å²	73	79 Å²	79	39%	0.39	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7	171.3	67.7	24.9	0	0	0	114.6	C569 K573 D590	C569-N571 VanDerWaalsContact CB-OD1 3.3Å; C569-N571 WeakPolarHBondContact CB-OD1 3.42Å; C569-N571 PolarHBondContact O-N 3.03Å; N571-K573 WeakPolarHBondContact OD1-CB 3.46Å; N571-K573 PolarHBondContact OD1-N 2.81Å; N571-D590 HydrophobicContact CB-CB 4.41Å; N571-D590 WeakPolarHBondContact CB-OD2 3.3Å; N571-D590 VanDerWaalsContact CG-OD2 3.28Å; N571-D590 PolarHBondContact N-OD2 2.86Å; N571-D590 PolarHBondContact ND2-OD2 2.82Å
572	G	69.2	Low	65.6	Low	36 Å²	36	71.8 Å²	71.8	37%	0.371	37%	0.369	S	S	.	.	S	Bend	trans	91.1	-4.2	176.6	0	0	0	0	0	116.2	C569 K570	C569-G572 WeakPolarHBondContact O-CA 3.41Å; C569-G572 PolarHBondContact O-N 3.22Å; K570-G572 PolarHBondContact O-N 3.38Å
573	K	74.1	Confident	65.7	Low	107 Å²	107	70 Å²	70	47%	0.465	36%	0.355	S	S	.	.			trans	-70.2	155	166.9	-70.1	178.9	168.9	175.1	0	110.4	C569 N571 E589	C569-K573 WeakPolarHBondContact CB-O 3.38Å; C569-K573 PolarHBondContact N-O 3.18Å; N571-K573 WeakPolarHBondContact OD1-CB 3.46Å; N571-K573 PolarHBondContact OD1-N 2.81Å; K573-E589 IonicContact NZ-OE1 3.73Å; K573-E589 PolarHBondContact NZ-OE1 3.3Å; K573-E589 IonicContact NZ-OE2 3.94Å; K573-E589 PolarHBondContact NZ-OE2 3.12Å
574	C	73.8	Confident	65.4	Low	14 Å²	14	69.1 Å²	69.1	10%	0.095	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.6	174.7	-76.4	0	0	0	0	111.6	V560 C562 Y567 K568	V560-C574 WeakPolarHBondContact CB-O 3.25Å; V560-C574 HydrophobicContact CG1-CB 4.18Å; C562-C574 VanDerWaalsContact CA-SG 3.51Å; C562-C574 HydrophobicContact CB-CB 3.96Å; C562-C574 WeakPolarHBondContact CB-SG 3.41Å; C562-C574 WeakPolarHBondContact SG-CB 3.32Å; C562-C574 CovalentContact SG-SG 2.03Å; C562-C574 PolarHBondContact SG-SG 3.01Å; Y567-C574 CarbonylContact O-C 3.56Å; Y567-C574 VanDerWaalsContact O-CA 3.24Å; Y567-C574 WeakPolarHBondContact O-CA 3.37Å; K568-C574 VanDerWaalsContact CB-SG 3.53Å
575	I	71.3	Confident	65.6	Low	25 Å²	25	61.7 Å²	61.7	13%	0.128	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.7	-176.8	-61.4	168.1	0	0	0	108.7	T566 Y567 C569 K577 P580 D587 C588	T566-I575 WeakPolarHBondContact CA-O 3.22Å; T566-I575 WeakPolarHBondContact CB-O 3.45Å; Y567-I575 HydrophobicContact CD1-CD1 4.5Å; Y567-I575 PolarHBondContact N-O 2.94Å; Y567-I575 VanDerWaalsContact N-O 3.14Å; Y567-I575 PolarHBondContact O-N 2.99Å; C569-I575 WeakPolarHBondContact SG-CD1 3.32Å; I575-K577 HydrophobicContact CG2-CB 3.63Å; I575-P580 HydrophobicContact CG2-CB 4.33Å; I575-D587 HydrophobicContact CD1-CB 3.67Å; I575-D587 HydrophobicContact CG2-CB 4.37Å; I575-C588 HydrophobicContact CD1-CB 4.19Å; I575-C588 WeakPolarHBondContact CD1-SG 3.47Å
576	D	66.6	Low	66.4	Low	125 Å²	125	62.6 Å²	62.6	67%	0.668	34%	0.339	S	S	*	.			trans	-102.8	64.9	173.6	-164.8	19	0	0	0	109.8	V560 T566	V560-D576 HydrophobicContact CG1-CB 3.91Å; V560-D576 HydrophobicContact CG2-CB 3.96Å; T566-D576 HydrophobicContact CG2-CB 4.29Å
577	K	64.3	Low	66.6	Low	73 Å²	73	64.3 Å²	64.3	32%	0.317	35%	0.347	S	S	.	.	S	Bend	trans	-126.9	147.5	174.2	-170.8	-164	-174.8	-171.1	0	107	I575 N579 P580 D583 S585 D587	I575-K577 HydrophobicContact CG2-CB 3.63Å; K577-N579 PolarHBondContact O-N 2.99Å; K577-P580 HydrophobicContact CB-CB 4.33Å; K577-P580 HydrophobicContact CD-CB 4.16Å; K577-P580 WeakPolarHBondContact O-CD 3.49Å; K577-D583 VanDerWaalsContact CE-OD2 3.28Å; K577-D583 WeakPolarHBondContact CE-OD2 3.37Å; K577-D583 IonicContact NZ-OD1 2.68Å; K577-D583 PolarHBondContact NZ-OD1 2.86Å; K577-D583 IonicContact NZ-OD2 2.61Å; K577-D583 PolarHBondContact NZ-OD2 3.04Å; K577-S585 PolarHBondContact NZ-OG 2.66Å; K577-D587 WeakPolarHBondContact CD-OD2 3.16Å; K577-D587 WeakPolarHBondContact CE-OD2 3.41Å; K577-D587 IonicContact NZ-OD1 2.67Å; K577-D587 PolarHBondContact NZ-OD1 2.79Å; K577-D587 IonicContact NZ-OD2 3.9Å; K577-D587 PolarHBondContact NZ-OD2 2.92Å
578	K	59.1	Low	66.8	Low	157 Å²	157	61 Å²	61	68%	0.683	33%	0.334	S	S	*	.	S	Bend	trans	-75.5	126.1	175.4	-66	177.7	-176.6	170.5	0	110
579	N	60.1	Low	66.6	Low	23 Å²	23	61.9 Å²	61.9	12%	0.123	34%	0.341	C	S	.	.	S	Bend	trans	49.1	55	176.9	-160.8	78	0	0	0	114.7	K577 V581 N728	K577-N579 PolarHBondContact O-N 2.99Å; N579-V581 PolarHBondContact O-N 2.8Å; N579-V581 VanDerWaalsContact O-N 3.13Å; N579-N728 PolarHBondContact OD1-N 3.06Å
580	P	63.8	Low	66.3	Low	4 Å²	4	64.9 Å²	64.9	3%	0.026	36%	0.356	C	S	.	.			trans	-72.2	-4.6	-177.6	32.7	-34.7	0	0	0	113.2	Y567 I575 K577 D587 D593	Y567-P580 VanDerWaalsContact CB-CG 3.46Å; Y567-P580 HydrophobicContact CD1-CG 4.36Å; Y567-P580 HydrophobicContact CG-CG 3.99Å; I575-P580 HydrophobicContact CG2-CB 4.33Å; K577-P580 HydrophobicContact CB-CB 4.33Å; K577-P580 HydrophobicContact CD-CB 4.16Å; K577-P580 WeakPolarHBondContact O-CD 3.49Å; P580-D587 WeakPolarHBondContact CB-OD2 3.39Å; P580-D593 WeakPolarHBondContact O-CB 3.27Å
581	V	63.8	Low	65.8	Low	57 Å²	57	58.7 Å²	58.7	35%	0.345	34%	0.336	S	S	.	.	S	Bend	trans	-89.7	118.8	-177.4	-179.7	0	0	0	0	108.9	Y567 N579 D583 D593	Y567-V581 HydrophobicContact CD1-CG2 4.49Å; Y567-V581 HydrophobicContact CD2-CG2 3.38Å; Y567-V581 HydrophobicContact CE1-CG2 4.41Å; Y567-V581 HydrophobicContact CE2-CG2 3.27Å; Y567-V581 HydrophobicContact CG-CG2 4.01Å; N579-V581 PolarHBondContact O-N 2.8Å; N579-V581 VanDerWaalsContact O-N 3.13Å; V581-D583 VanDerWaalsContact C-N 3.32Å; V581-D583 PolarHBondContact O-N 2.92Å; V581-D593 WeakPolarHBondContact CA-O 3.13Å
582	C	57.4	Low	65.8	Low	18 Å²	18	55.7 Å²	55.7	12%	0.122	32%	0.32	C	S	.	.	S	Bend	trans	63.2	30.7	176.7	-52.4	0	0	0	0	115.5	D593 E594 C597 C810	C582-D593 PolarHBondContact N-O 3.27Å; C582-E594 VanDerWaalsContact C-OE1 3.24Å; C582-E594 WeakPolarHBondContact CA-OE1 3.25Å; C582-E594 PolarHBondContact N-OE1 2.85Å; C582-C597 WeakPolarHBondContact CA-SG 3.5Å; C582-C597 HydrophobicContact CB-CB 3.42Å; C582-C597 VanDerWaalsContact CB-CB 3.42Å; C582-C597 WeakPolarHBondContact CB-SG 3.46Å; C582-C597 PolarHBondContact N-SG 2.76Å; C582-C597 WeakPolarHBondContact SG-CA 3.08Å; C582-C597 WeakPolarHBondContact SG-CB 3.29Å; C582-C597 CovalentContact SG-SG 2.03Å; C582-C597 PolarHBondContact SG-SG 2.77Å; C582-C810 PolarHBondContact O-SG 2.96Å; C582-C810 VanDerWaalsContact O-SG 3.41Å
583	D	58.6	Low	65.6	Low	30 Å²	30	54 Å²	54	16%	0.16	30%	0.303	C	S	.	.	S	Bend	trans	-89.3	-5.7	176.2	78.2	18.7	0	0	0	113.7	K577 V581 S585 E594	K577-D583 VanDerWaalsContact CE-OD2 3.28Å; K577-D583 WeakPolarHBondContact CE-OD2 3.37Å; K577-D583 IonicContact NZ-OD1 2.68Å; K577-D583 PolarHBondContact NZ-OD1 2.86Å; K577-D583 IonicContact NZ-OD2 2.61Å; K577-D583 PolarHBondContact NZ-OD2 3.04Å; V581-D583 VanDerWaalsContact C-N 3.32Å; V581-D583 PolarHBondContact O-N 2.92Å; D583-S585 WeakPolarHBondContact OD1-CA 3.16Å; D583-S585 VanDerWaalsContact OD1-CB 3.25Å; D583-S585 WeakPolarHBondContact OD1-CB 3.33Å; D583-S585 PolarHBondContact OD1-N 2.88Å; D583-S585 PolarHBondContact OD1-OG 2.67Å; D583-E594 PolarHBondContact N-OE1 3.14Å
584	G	57.1	Low	65.4	Low	61 Å²	61	51 Å²	51	63%	0.629	29%	0.29	S	S	*	.	S	Bend	trans	90.8	-1.1	178.8	0	0	0	0	0	114.3	E594	G584-E594 PolarHBondContact N-OE1 2.78Å
585	S	59.8	Low	64.7	Low	47 Å²	47	55.1 Å²	55.1	33%	0.329	31%	0.308	S	S	.	.			trans	-101.6	133.1	170	-11.2	0	0	0	0	109.8	K577 D583 D587 E594	K577-S585 PolarHBondContact NZ-OG 2.66Å; D583-S585 WeakPolarHBondContact OD1-CA 3.16Å; D583-S585 VanDerWaalsContact OD1-CB 3.25Å; D583-S585 WeakPolarHBondContact OD1-CB 3.33Å; D583-S585 PolarHBondContact OD1-N 2.88Å; D583-S585 PolarHBondContact OD1-OG 2.67Å; S585-D587 PolarHBondContact O-N 2.94Å; S585-D587 VanDerWaalsContact O-N 3.15Å; S585-E594 WeakPolarHBondContact O-CG 3.25Å
586	S	66.4	Low	63.9	Low	87 Å²	87	61.2 Å²	61.2	61%	0.608	34%	0.341	S	S	*	.			trans	-82.3	88.1	167	-170.9	0	0	0	0	108.8	C588	S586-C588 PolarHBondContact OG-O 3.06Å
587	D	70.2	Confident	63.5	Low	55 Å²	55	55.7 Å²	55.7	29%	0.294	31%	0.312	S	S	.	.			trans	-81.1	-33	175.1	-57.2	-48.3	0	0	0	111.8	I575 K577 P580 S585 D593	I575-D587 HydrophobicContact CD1-CB 3.67Å; I575-D587 HydrophobicContact CG2-CB 4.37Å; K577-D587 WeakPolarHBondContact CD-OD2 3.16Å; K577-D587 WeakPolarHBondContact CE-OD2 3.41Å; K577-D587 IonicContact NZ-OD1 2.67Å; K577-D587 PolarHBondContact NZ-OD1 2.79Å; K577-D587 IonicContact NZ-OD2 3.9Å; K577-D587 PolarHBondContact NZ-OD2 2.92Å; P580-D587 WeakPolarHBondContact CB-OD2 3.39Å; S585-D587 PolarHBondContact O-N 2.94Å; S585-D587 VanDerWaalsContact O-N 3.15Å; D587-D593 VanDerWaalsContact CA-OD2 3.32Å; D587-D593 WeakPolarHBondContact CA-OD2 3.41Å; D587-D593 WeakPolarHBondContact CB-OD2 3.41Å; D587-D593 PolarHBondContact N-OD2 2.93Å
588	C	73.2	Confident	63.6	Low	1 Å²	1	54.6 Å²	54.6	1%	0.007	32%	0.317	C	S	.	.	S	Bend	trans	-76.4	131	168.2	-68.3	0	0	0	0	110	C569 I575 S586 D590 G591 D593	C569-C588 HydrophobicContact CB-CB 3.91Å; C569-C588 WeakPolarHBondContact CB-SG 3.38Å; C569-C588 WeakPolarHBondContact SG-CB 3.41Å; C569-C588 CovalentContact SG-SG 2.04Å; C569-C588 PolarHBondContact SG-SG 3.2Å; I575-C588 HydrophobicContact CD1-CB 4.19Å; I575-C588 WeakPolarHBondContact CD1-SG 3.47Å; S586-C588 PolarHBondContact OG-O 3.06Å; C588-D590 WeakPolarHBondContact CB-OD1 3.38Å; C588-D590 PolarHBondContact O-N 2.86Å; C588-G591 PolarHBondContact O-N 3.1Å; C588-D593 HydrophobicContact CB-CB 4.27Å; C588-D593 WeakPolarHBondContact CB-OD1 3.5Å; C588-D593 PolarHBondContact N-OD2 2.89Å
589	E	68.5	Low	64.5	Low	152 Å²	152	48.2 Å²	48.2	71%	0.71	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.1	172.2	-70.8	172.8	-170.4	0	0	114	K573	K573-E589 IonicContact NZ-OE1 3.73Å; K573-E589 PolarHBondContact NZ-OE1 3.3Å; K573-E589 IonicContact NZ-OE2 3.94Å; K573-E589 PolarHBondContact NZ-OE2 3.12Å
590	D	68.2	Low	65.1	Low	67 Å²	67	47.1 Å²	47.1	36%	0.358	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	0.9	176.6	65.4	8.1	0	0	0	113.8	K570 N571 C588 S592	K570-D590 WeakPolarHBondContact CB-OD2 3.38Å; K570-D590 PolarHBondContact N-OD2 3Å; N571-D590 HydrophobicContact CB-CB 4.41Å; N571-D590 WeakPolarHBondContact CB-OD2 3.3Å; N571-D590 VanDerWaalsContact CG-OD2 3.28Å; N571-D590 PolarHBondContact N-OD2 2.86Å; N571-D590 PolarHBondContact ND2-OD2 2.82Å; C588-D590 WeakPolarHBondContact CB-OD1 3.38Å; C588-D590 PolarHBondContact O-N 2.86Å; D590-S592 VanDerWaalsContact CG-OG 3.31Å; D590-S592 PolarHBondContact O-N 3.13Å; D590-S592 WeakPolarHBondContact OD1-CB 3.34Å; D590-S592 PolarHBondContact OD1-N 2.86Å; D590-S592 PolarHBondContact OD1-OG 2.91Å; D590-S592 PolarHBondContact OD2-OG 2.85Å
591	G	65.1	Low	65.6	Low	21 Å²	21	53.3 Å²	53.3	22%	0.216	31%	0.308	C	S	.	.			trans	62.6	19.1	-177.7	0	0	0	0	0	115	C588 D593 E594 E595	C588-G591 PolarHBondContact O-N 3.1Å; G591-D593 VanDerWaalsContact C-N 3.3Å; G591-D593 WeakPolarHBondContact CA-OD1 3.22Å; G591-D593 PolarHBondContact O-N 2.65Å; G591-E594 PolarHBondContact O-N 3.22Å; G591-E595 PolarHBondContact O-N 3.07Å; G591-E595 VanDerWaalsContact O-N 3.16Å
592	S	70.9	Confident	65.6	Low	9 Å²	9	54.2 Å²	54.2	6%	0.063	31%	0.308	C	S	.	.			trans	-73.2	-20.2	-176.9	56.3	0	0	0	0	114.8	Y567 C569 K570 D590	Y567-S592 PolarHBondContact OH-O 3.1Å; C569-S592 WeakPolarHBondContact CA-OG 3.45Å; K570-S592 VanDerWaalsContact CB-CB 3.46Å; K570-S592 PolarHBondContact N-OG 3.31Å; D590-S592 VanDerWaalsContact CG-OG 3.31Å; D590-S592 PolarHBondContact O-N 3.13Å; D590-S592 WeakPolarHBondContact OD1-CB 3.34Å; D590-S592 PolarHBondContact OD1-N 2.86Å; D590-S592 PolarHBondContact OD1-OG 2.91Å; D590-S592 PolarHBondContact OD2-OG 2.85Å
593	D	65.1	Low	65.4	Low	1 Å²	1	61 Å²	61	1%	0.005	34%	0.335	C	S	.	.	S	Bend	trans	-68.3	-32.7	168.1	54.5	-21.3	0	0	0	113.3	Y567 P580 V581 C582 D587 C588 G591 C597	Y567-D593 HydrophobicContact CD1-CB 4.41Å; Y567-D593 HydrophobicContact CE1-CB 3.92Å; P580-D593 WeakPolarHBondContact O-CB 3.27Å; V581-D593 WeakPolarHBondContact CA-O 3.13Å; C582-D593 PolarHBondContact N-O 3.27Å; D587-D593 VanDerWaalsContact CA-OD2 3.32Å; D587-D593 WeakPolarHBondContact CA-OD2 3.41Å; D587-D593 WeakPolarHBondContact CB-OD2 3.41Å; D587-D593 PolarHBondContact N-OD2 2.93Å; C588-D593 HydrophobicContact CB-CB 4.27Å; C588-D593 WeakPolarHBondContact CB-OD1 3.5Å; C588-D593 PolarHBondContact N-OD2 2.89Å; G591-D593 VanDerWaalsContact C-N 3.3Å; G591-D593 WeakPolarHBondContact CA-OD1 3.22Å; G591-D593 PolarHBondContact O-N 2.65Å; D593-C597 PolarHBondContact O-SG 3.32Å; D593-C597 VanDerWaalsContact O-SG 3.39Å
594	E	69.8	Low	65	Low	44 Å²	44	63.7 Å²	63.7	21%	0.206	35%	0.349	C	S	.	.	S	Bend	trans	-97.7	1.9	176.3	-73.5	-65.7	131.1	0	0	113.8	C582 D583 G584 S585 G591 N596 C597	C582-E594 VanDerWaalsContact C-OE1 3.24Å; C582-E594 WeakPolarHBondContact CA-OE1 3.25Å; C582-E594 PolarHBondContact N-OE1 2.85Å; D583-E594 PolarHBondContact N-OE1 3.14Å; G584-E594 PolarHBondContact N-OE1 2.78Å; S585-E594 WeakPolarHBondContact O-CG 3.25Å; G591-E594 PolarHBondContact O-N 3.22Å; E594-N596 PolarHBondContact O-N 3.48Å; E594-C597 WeakPolarHBondContact CA-SG 3.02Å; E594-C597 PolarHBondContact O-SG 3.22Å
595	E	58.8	Low	64.4	Low	100 Å²	100	72 Å²	72	47%	0.467	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	113.8	179.5	-161.9	177.8	-161.6	0	0	111	K570 G591	K570-E595 IonicContact NZ-OE1 2.94Å; K570-E595 PolarHBondContact NZ-OE1 2.97Å; K570-E595 IonicContact NZ-OE2 2.67Å; K570-E595 PolarHBondContact NZ-OE2 2.84Å; G591-E595 PolarHBondContact O-N 3.07Å; G591-E595 VanDerWaalsContact O-N 3.16Å
596	N	55	Low	63.6	Low	154 Å²	154	72.4 Å²	72.4	82%	0.824	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	23	-173.7	-58.4	-50.7	0	0	0	117.7	E594 A598	E594-N596 PolarHBondContact O-N 3.48Å; N596-A598 PolarHBondContact O-N 3.27Å
597	C	59.2	Low	62.5	Low	9 Å²	9	73.6 Å²	73.6	6%	0.061	37%	0.373	C	S	.	.			trans	-79.1	53.5	-176.9	-64.4	0	0	0	0	116.3	C582 D593 E594 R601	C582-C597 WeakPolarHBondContact CA-SG 3.5Å; C582-C597 HydrophobicContact CB-CB 3.42Å; C582-C597 VanDerWaalsContact CB-CB 3.42Å; C582-C597 WeakPolarHBondContact CB-SG 3.46Å; C582-C597 PolarHBondContact N-SG 2.76Å; C582-C597 WeakPolarHBondContact SG-CA 3.08Å; C582-C597 WeakPolarHBondContact SG-CB 3.29Å; C582-C597 CovalentContact SG-SG 2.03Å; C582-C597 PolarHBondContact SG-SG 2.77Å; D593-C597 PolarHBondContact O-SG 3.32Å; D593-C597 VanDerWaalsContact O-SG 3.39Å; E594-C597 WeakPolarHBondContact CA-SG 3.02Å; E594-C597 PolarHBondContact O-SG 3.22Å; C597-R601 VanDerWaalsContact O-CZ 3.23Å; C597-R601 PolarHBondContact O-NE 2.93Å; C597-R601 PolarHBondContact O-NH2 2.85Å
598	A	65.9	Low	60.7	Low	50 Å²	50	75.2 Å²	75.2	41%	0.413	39%	0.385	S	S	.	.			trans	-88.6	0.4	-179.7	0	0	0	0	0	114.9	N596	N596-A598 PolarHBondContact O-N 3.27Å
599	C	77.4	Confident	58.7	Low	23 Å²	23	85.9 Å²	85.9	16%	0.155	43%	0.425	C	S	.	.	S	Bend	trans	-86.1	163.1	179.9	62.7	0	0	0	0	113.1	R601 P723 C725	C599-R601 PolarHBondContact O-N 3Å; C599-P723 CarbonylContact C-O 3.48Å; C599-P723 VanDerWaalsContact CA-O 3.27Å; C599-P723 WeakPolarHBondContact CA-O 3.41Å; C599-P723 HydrophobicContact CB-CB 4.33Å; C599-P723 HydrophobicContact CB-CG 3.97Å; C599-P723 WeakPolarHBondContact CB-O 3.17Å; C599-C725 HydrophobicContact CB-CB 4.01Å; C599-C725 WeakPolarHBondContact CB-SG 3.38Å; C599-C725 PolarHBondContact O-SG 3.45Å; C599-C725 VanDerWaalsContact O-SG 3.37Å; C599-C725 WeakPolarHBondContact SG-CA 3.17Å; C599-C725 WeakPolarHBondContact SG-CB 3.29Å; C599-C725 CovalentContact SG-SG 2.04Å; C599-C725 PolarHBondContact SG-SG 3.02Å
600	G	72.9	Confident	57.2	Low	0 Å²	0	84.8 Å²	84.8	0%	0	42%	0.423	C	S	.	.	S	Bend	trans	70.5	-5.6	166.1	0	0	0	0	0	117	K602 P723 M811	G600-K602 PolarHBondContact O-N 2.89Å; G600-P723 PolarHBondContact N-O 3.4Å; G600-M811 WeakPolarHBondContact CA-O 3.2Å; G600-M811 PolarHBondContact O-N 2.86Å
601	R	74.6	Confident	55.2	Low	133 Å²	133	87.3 Å²	87.3	50%	0.502	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-79.3	118.1	-173.3	-63.4	-179	-171	-140.5	-4.7	112.8	C597 C599	C597-R601 VanDerWaalsContact O-CZ 3.23Å; C597-R601 PolarHBondContact O-NE 2.93Å; C597-R601 PolarHBondContact O-NH2 2.85Å; C599-R601 PolarHBondContact O-N 3Å
602	K	63.3	Low	54.4	Low	77 Å²	77	87.8 Å²	87.8	34%	0.335	45%	0.445	S	S	.	.			trans	-92	109.7	175.6	-170.1	177.9	-175.4	171	0	111.1	G600 L604 E620	G600-K602 PolarHBondContact O-N 2.89Å; K602-L604 VanDerWaalsContact CE-O 3.29Å; K602-L604 WeakPolarHBondContact CE-O 3.32Å; K602-L604 WeakPolarHBondContact CG-O 3.44Å; K602-E620 IonicContact NZ-OE1 2.69Å; K602-E620 PolarHBondContact NZ-OE1 2.92Å
603	K	54.3	Low	53.8	Low	159 Å²	159	90 Å²	90	69%	0.691	47%	0.469	S	S	*	.			trans	-75.4	-24.1	178	-76.9	-172.2	-179.8	-179.5	0	114.3	D719	K603-D719 WeakPolarHBondContact CD-OD1 3.3Å; K603-D719 WeakPolarHBondContact CE-OD1 3.4Å; K603-D719 IonicContact NZ-OD1 3.86Å; K603-D719 PolarHBondContact NZ-OD1 2.96Å
604	L	50.3	Low	54.2	Low	88 Å²	88	92.5 Å²	92.5	46%	0.461	48%	0.481	S	S	.	.			trans	-94.2	108.9	178	-110.9	70.1	0	0	0	111.1	K602 S606 A617	K602-L604 VanDerWaalsContact CE-O 3.29Å; K602-L604 WeakPolarHBondContact CE-O 3.32Å; K602-L604 WeakPolarHBondContact CG-O 3.44Å; L604-S606 PolarHBondContact O-N 3.11Å; L604-S606 VanDerWaalsContact O-N 3.1Å; L604-A617 HydrophobicContact CD2-CB 4.44Å
605	R	43.1	Very low	54.8	Low	234 Å²	234	95.1 Å²	95.1	88%	0.883	50%	0.496	S	S	*	.			trans	-76.9	88.7	164.9	-73.2	-172.5	174.3	-169.6	-3.5	109.3
606	S	43.2	Very low	55.9	Low	56 Å²	56	90.5 Å²	90.5	39%	0.392	48%	0.475	S	S	.	.			trans	-70.7	133.9	172.1	-167	0	0	0	0	110.3	L604	L604-S606 PolarHBondContact O-N 3.11Å; L604-S606 VanDerWaalsContact O-N 3.1Å
607	S	43	Very low	57.2	Low	113 Å²	113	84.9 Å²	84.9	79%	0.79	45%	0.45	S	S	*	.			trans	-122.1	63.6	-171.6	67	0	0	0	0	112.8
608	T	33.3	Very low	58.3	Low	89 Å²	89	88.3 Å²	88.3	55%	0.546	47%	0.465	S	S	.	.			trans	-145.7	128.1	166.8	35.7	0	0	0	0	109.8
609	R	31.5	Very low	58.9	Low	225 Å²	225	86.9 Å²	86.9	85%	0.849	46%	0.456	S	S	*	.			trans	-113.1	88.8	175.1	-179	-174.3	-176.5	177.6	2.4	108.2
610	I	35.5	Very low	59.3	Low	129 Å²	129	86.1 Å²	86.1	66%	0.662	45%	0.45	S	S	*	.			trans	-137.9	145.4	179.3	-55.7	-177.8	0	0	0	107.7
611	V	26.6	Very low	60.2	Low	120 Å²	120	86.7 Å²	86.7	73%	0.727	45%	0.452	S	S	*	.			trans	-108.2	125	-164.5	-177.7	0	0	0	0	111.7
612	G	48.2	Very low	61	Low	31 Å²	31	80.6 Å²	80.6	32%	0.32	43%	0.43	S	S	.	.	S	Bend	trans	151.4	162.1	-178.4	0	0	0	0	0	109	E614	G612-E614 PolarHBondContact O-N 3.27Å; G612-E614 VanDerWaalsContact O-N 3.16Å
613	G	58.3	Low	62.5	Low	55 Å²	55	76.9 Å²	76.9	57%	0.567	41%	0.414	S	S	*	.	S	Bend	trans	-63.7	115.8	170.4	0	0	0	0	0	109.4
614	E	74.3	Confident	64.5	Low	54 Å²	54	69.5 Å²	69.5	25%	0.252	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.6	-172.8	58.6	171.3	170.2	0	0	110.9	G612 A616 Q758 K759	G612-E614 PolarHBondContact O-N 3.27Å; G612-E614 VanDerWaalsContact O-N 3.16Å; E614-A616 PolarHBondContact O-N 3.45Å; E614-Q758 CarbonylContact O-C 3.56Å; E614-Q758 WeakPolarHBondContact O-CA 3.26Å; E614-K759 HydrophobicContact CG-CD 4.18Å; E614-K759 HydrophobicContact CG-CG 3.52Å; E614-K759 PolarHBondContact N-O 3.15Å; E614-K759 PolarHBondContact O-N 3.46Å; E614-K759 WeakPolarHBondContact OE1-CE 3.16Å; E614-K759 IonicContact OE1-NZ 3.91Å; E614-K759 PolarHBondContact OE1-NZ 3.13Å; E614-K759 IonicContact OE2-NZ 2.68Å; E614-K759 PolarHBondContact OE2-NZ 2.94Å
615	D	81.6	Confident	66.7	Low	99 Å²	99	65.3 Å²	65.3	53%	0.529	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124	170.8	-73	-28.2	0	0	0	109.2	V756 Q758	D615-V756 HydrophobicContact CB-CG1 3.96Å; D615-Q758 PolarHBondContact OD1-NE2 3.11Å
616	A	82.8	Confident	69.2	Low	2 Å²	2	54.1 Å²	54.1	2%	0.017	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-67.1	142.1	173	0	0	0	0	0	110.1	E614 F621 H674 L757 K759	E614-A616 PolarHBondContact O-N 3.45Å; A616-F621 HydrophobicContact CB-CD2 4.29Å; A616-H674 PolarHBondContact O-CE1 2.87Å; A616-L757 HydrophobicContact CB-CB 4.3Å; A616-L757 HydrophobicContact CB-CD2 4.09Å; A616-L757 HydrophobicContact CB-CG 3.92Å; A616-L757 WeakPolarHBondContact CB-O 3.03Å; A616-L757 PolarHBondContact N-O 3.27Å; A616-K759 HydrophobicContact CB-CB 4.13Å; A616-K759 HydrophobicContact CB-CD 3.93Å; A616-K759 HydrophobicContact CB-CG 4.08Å
617	A	82.4	Confident	71.6	Confident	36 Å²	36	51.5 Å²	51.5	30%	0.298	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-66.6	150.7	172.9	0	0	0	0	0	110.7	L604 G619 E620	L604-A617 HydrophobicContact CD2-CB 4.44Å; A617-G619 PolarHBondContact O-N 2.88Å; A617-E620 HydrophobicContact CB-CB 4.06Å; A617-E620 PolarHBondContact N-OE2 2.9Å; A617-E620 WeakPolarHBondContact O-CB 3.29Å; A617-E620 PolarHBondContact O-N 2.55Å
618	Q	81.9	Confident	74	Confident	81 Å²	81	47.1 Å²	47.1	38%	0.379	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	124.6	177.4	-174.7	-175.9	-54.2	0	0	110.6	E620 H674 F682 H720	Q618-E620 VanDerWaalsContact C-N 3.27Å; Q618-E620 PolarHBondContact O-N 3.38Å; Q618-H674 HydrophobicContact CG-CB 4.4Å; Q618-F682 HydrophobicContact CG-CZ 4.11Å; Q618-F682 VanDerWaalsContact NE2-CE1 3.32Å; Q618-H720 PolarHBondContact NE2-NE2 2.94Å
619	G	79.2	Confident	76.5	Confident	21 Å²	21	43 Å²	43	22%	0.216	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	11.4	-176.1	0	0	0	0	0	114.8	A617 F621	A617-G619 PolarHBondContact O-N 2.88Å; G619-F621 VanDerWaalsContact C-N 3.33Å; G619-F621 PolarHBondContact O-N 3.16Å
620	E	85.3	Confident	78.9	Confident	7 Å²	7	36.8 Å²	36.8	3%	0.033	22%	0.221	C	C	.	.	S	Bend	trans	-67.7	-33.4	179.1	-165.3	175.7	178.7	0	0	112.9	K602 A617 Q618 K759	K602-E620 IonicContact NZ-OE1 2.69Å; K602-E620 PolarHBondContact NZ-OE1 2.92Å; A617-E620 HydrophobicContact CB-CB 4.06Å; A617-E620 PolarHBondContact N-OE2 2.9Å; A617-E620 WeakPolarHBondContact O-CB 3.29Å; A617-E620 PolarHBondContact O-N 2.55Å; Q618-E620 VanDerWaalsContact C-N 3.27Å; Q618-E620 PolarHBondContact O-N 3.38Å; E620-K759 IonicContact OE1-NZ 3.99Å; E620-K759 PolarHBondContact OE1-NZ 3.36Å; E620-K759 VanDerWaalsContact OE2-CD 3.28Å; E620-K759 WeakPolarHBondContact OE2-CD 2.89Å; E620-K759 WeakPolarHBondContact OE2-CE 3.04Å; E620-K759 IonicContact OE2-NZ 2.92Å; E620-K759 PolarHBondContact OE2-NZ 3.01Å
621	F	91.5	Very high	80.8	Confident	11 Å²	11	38.7 Å²	38.7	5%	0.048	23%	0.233	C	C	.	.	S	Bend	trans	-126.8	75.1	177.6	-64.6	-90.1	0	0	0	110	A616 G619 W623 Q624 F740 T742 K759	A616-F621 HydrophobicContact CB-CD2 4.29Å; G619-F621 VanDerWaalsContact C-N 3.33Å; G619-F621 PolarHBondContact O-N 3.16Å; F621-W623 AromaticContact CD1-CZ2 3.86Å; F621-W623 HydrophobicContact CD1-CZ2 3.86Å; F621-W623 AromaticContact CD1-NE1 3.97Å; F621-W623 PolarHBondContact O-N 3.41Å; F621-W623 VanDerWaalsContact O-N 3.1Å; F621-Q624 HydrophobicContact CB-CB 4.31Å; F621-Q624 VanDerWaalsContact O-CB 3.27Å; F621-Q624 WeakPolarHBondContact O-CB 3.48Å; F621-Q624 PolarHBondContact O-N 3.43Å; F621-F740 HydrophobicContact CE1-CB 4.08Å; F621-F740 HydrophobicContact CZ-CB 4.12Å; F621-F740 HydrophobicContact CZ-CG 4.37Å; F621-T742 HydrophobicContact CB-CG2 4.44Å; F621-T742 HydrophobicContact CD1-CG2 3.81Å; F621-T742 HydrophobicContact CD2-CG2 3.72Å; F621-T742 HydrophobicContact CE1-CG2 3.91Å; F621-T742 HydrophobicContact CE2-CG2 3.84Å; F621-T742 HydrophobicContact CG-CG2 3.72Å; F621-T742 HydrophobicContact CZ-CG2 3.92Å; F621-K759 HydrophobicContact CE2-CB 3.93Å; F621-K759 HydrophobicContact CE2-CD 3.76Å; F621-K759 HydrophobicContact CE2-CG 4.47Å; F621-K759 HydrophobicContact CZ-CB 4.42Å; F621-K759 HydrophobicContact CZ-CD 4.47Å
622	P	91.2	Very high	83.1	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.032	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.1	-169.1	29.1	-36.8	0	0	0	115.1	H720 I721 Q722	P622-H720 WeakPolarHBondContact CA-O 3.32Å; P622-I721 VanDerWaalsContact O-CA 3.3Å; P622-I721 WeakPolarHBondContact O-CA 3.33Å; P622-Q722 CarbonylContact C-O 3.52Å; P622-Q722 HydrophobicContact CB-CB 4.05Å; P622-Q722 HydrophobicContact CB-CG 4.16Å; P622-Q722 HydrophobicContact CG-CB 3.89Å; P622-Q722 HydrophobicContact CG-CG 4.1Å; P622-Q722 PolarHBondContact O-N 3.25Å
623	W	94.8	Very high	84.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.3	172.6	44.1	79.7	0	0	0	113.6	F621 S639 I640 Q722 I724 N804 M811	F621-W623 AromaticContact CD1-CZ2 3.86Å; F621-W623 HydrophobicContact CD1-CZ2 3.86Å; F621-W623 AromaticContact CD1-NE1 3.97Å; F621-W623 PolarHBondContact O-N 3.41Å; F621-W623 VanDerWaalsContact O-N 3.1Å; W623-S639 WeakPolarHBondContact O-CA 3.2Å; W623-I640 HydrophobicContact CB-CB 4.34Å; W623-I640 WeakPolarHBondContact O-CG1 3.01Å; W623-I640 PolarHBondContact O-N 3.49Å; W623-Q722 WeakPolarHBondContact CA-O 3.21Å; W623-Q722 VanDerWaalsContact CB-O 3.25Å; W623-Q722 WeakPolarHBondContact CB-O 3.47Å; W623-Q722 PolarHBondContact N-O 3.33Å; W623-I724 HydrophobicContact CB-CB 3.82Å; W623-I724 HydrophobicContact CB-CG2 4.37Å; W623-I724 HydrophobicContact CD2-CB 3.91Å; W623-I724 HydrophobicContact CD2-CD1 4.34Å; W623-I724 HydrophobicContact CD2-CG1 4.21Å; W623-I724 HydrophobicContact CE3-CB 4.38Å; W623-I724 HydrophobicContact CG-CB 3.63Å; W623-I724 HydrophobicContact CG-CD1 4.28Å; W623-I724 HydrophobicContact CG-CG1 4.28Å; W623-I724 HydrophobicContact CG-CG2 4.47Å; W623-N804 PolarHBondContact NE1-OD1 3.33Å; W623-M811 HydrophobicContact CH2-CB 3.59Å; W623-M811 HydrophobicContact CH2-CG 3.43Å; W623-M811 VanDerWaalsContact CH2-CG 3.43Å; W623-M811 HydrophobicContact CZ2-CB 3.65Å; W623-M811 HydrophobicContact CZ2-CG 3.62Å; W623-M811 HydrophobicContact CZ3-CB 4.39Å
624	Q	95.8	Very high	86.4	Confident	3 Å²	3	38.9 Å²	38.9	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.5	179.6	178.1	67.1	-23.7	0	0	111.1	F621 A638 T742 W744 L757	F621-Q624 HydrophobicContact CB-CB 4.31Å; F621-Q624 VanDerWaalsContact O-CB 3.27Å; F621-Q624 WeakPolarHBondContact O-CB 3.48Å; F621-Q624 PolarHBondContact O-N 3.43Å; Q624-A638 PolarHBondContact OE1-O 2.83Å; Q624-T742 PolarHBondContact NE2-O 3.41Å; Q624-W744 HydrophobicContact CG-CH2 3.64Å; Q624-W744 HydrophobicContact CG-CZ3 3.62Å; Q624-L757 HydrophobicContact CB-CD2 4.33Å; Q624-L757 HydrophobicContact CG-CD1 3.77Å; Q624-L757 HydrophobicContact CG-CD2 3.97Å
625	V	96.5	Very high	87	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137	-178.4	178.6	0	0	0	0	110.6	L627 G637 A638 I640 L646 V669 L671	V625-L627 HydrophobicContact CG1-CD2 4.18Å; V625-G637 CarbonylContact O-C 3.51Å; V625-G637 WeakPolarHBondContact O-CA 3.41Å; V625-A638 HydrophobicContact CB-CB 3.99Å; V625-A638 WeakPolarHBondContact CB-O 3.43Å; V625-A638 HydrophobicContact CG1-CB 4.25Å; V625-A638 PolarHBondContact N-O 2.79Å; V625-A638 PolarHBondContact O-N 3.03Å; V625-I640 HydrophobicContact CG2-CD1 4.14Å; V625-I640 HydrophobicContact CG2-CG1 3.47Å; V625-I640 VanDerWaalsContact CG2-CG1 3.47Å; V625-L646 HydrophobicContact CG1-CD1 3.95Å; V625-L646 HydrophobicContact CG2-CD1 4.42Å; V625-L646 HydrophobicContact CG2-CD2 4.1Å; V625-V669 HydrophobicContact CG1-CG1 3.49Å; V625-V669 VanDerWaalsContact CG1-CG1 3.49Å; V625-L671 HydrophobicContact CG1-CG 4.4Å; V625-L671 HydrophobicContact CG2-CD2 4.13Å; V625-L671 HydrophobicContact CG2-CG 4.15Å
626	S	95.6	Very high	87.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.8	171.1	-177.5	0	0	0	0	109.7	H628 H634 F670 Q676	S626-H628 PolarHBondContact OG-CD2 2.88Å; S626-H628 PolarHBondContact OG-NE2 3.37Å; S626-H634 PolarHBondContact OG-ND1 3.37Å; S626-F670 PolarHBondContact N-O 3.07Å; S626-F670 PolarHBondContact O-N 2.93Å; S626-Q676 PolarHBondContact OG-NE2 3.41Å
627	L	94.4	Very high	88.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.7	173	-57.8	178.6	0	0	0	109.9	V625 V635 C636 A638 L646 T648 W667 V669 M709	V625-L627 HydrophobicContact CG1-CD2 4.18Å; L627-V635 PolarHBondContact O-N 3.14Å; L627-C636 VanDerWaalsContact CB-O 3.26Å; L627-C636 WeakPolarHBondContact CB-O 3.14Å; L627-C636 HydrophobicContact CD1-CB 4.22Å; L627-C636 PolarHBondContact N-O 3.23Å; L627-A638 HydrophobicContact CD1-CB 3.89Å; L627-A638 HydrophobicContact CD2-CB 3.98Å; L627-A638 HydrophobicContact CG-CB 3.86Å; L627-L646 HydrophobicContact CD2-CD1 4.49Å; L627-T648 HydrophobicContact CD1-CG2 4.17Å; L627-W667 HydrophobicContact CB-CE3 3.87Å; L627-W667 HydrophobicContact CB-CZ3 3.67Å; L627-V669 HydrophobicContact CD2-CG1 4.37Å; L627-V669 HydrophobicContact CD2-CG2 4.09Å; L627-M709 HydrophobicContact CD1-CE 3.75Å; L627-M709 HydrophobicContact CD1-SD 3.82Å; L627-M709 HydrophobicContact CD2-SD 3.78Å; L627-M709 HydrophobicContact CG-SD 4.48Å
628	H	92.5	Very high	88.8	Confident	22 Å²	22	32.2 Å²	32.2	10%	0.102	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.9	178.2	-68.2	-138.7	0	0	0	110.3	S626 G633 W667 E668 F670 Q676	S626-H628 PolarHBondContact OG-CD2 2.88Å; S626-H628 PolarHBondContact OG-NE2 3.37Å; H628-G633 CarbonylContact C-O 3.45Å; H628-G633 WeakPolarHBondContact CA-O 3.47Å; H628-W667 WeakPolarHBondContact O-CA 3.42Å; H628-E668 HydrophobicContact CB-CB 4.26Å; H628-E668 PolarHBondContact N-O 2.93Å; H628-E668 PolarHBondContact O-N 3.1Å; H628-F670 HydrophobicContact CB-CD2 4.25Å; H628-F670 HydrophobicContact CB-CE2 3.98Å; H628-F670 AromaticContact CD2-CD2 3.41Å; H628-F670 VanDerWaalsContact CD2-CD2 3.41Å; H628-F670 WeakPolarHBondContact CD2-CD2 3.36Å; H628-F670 AromaticContact CD2-CE2 3.83Å; H628-F670 AromaticContact CG-CD2 3.7Å; H628-F670 AromaticContact CG-CE2 3.61Å; H628-F670 AromaticContact ND1-CE2 3.72Å; H628-F670 AromaticContact NE2-CD2 3.65Å; H628-Q676 PolarHBondContact CE1-OE1 2.86Å; H628-Q676 PolarHBondContact NE2-OE1 3.45Å
629	F	86.4	Confident	89.5	Confident	1 Å²	1	28.4 Å²	28.4	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115	179.4	-175.2	-95.3	0	0	0	111	N631 Y632 G633 V635 L659 F661 T666 W667	F629-N631 PolarHBondContact O-N 3.48Å; F629-Y632 AromaticContact CD1-CD2 3.91Å; F629-Y632 HydrophobicContact CD1-CD2 3.91Å; F629-Y632 HydrophobicContact CD1-CE2 4.48Å; F629-Y632 HydrophobicContact CE1-CD2 4.39Å; F629-Y632 WeakPolarHBondContact O-CB 3.47Å; F629-Y632 PolarHBondContact O-N 2.83Å; F629-G633 PolarHBondContact N-O 2.84Å; F629-V635 HydrophobicContact CB-CB 4.49Å; F629-V635 HydrophobicContact CB-CG2 3.81Å; F629-L659 HydrophobicContact CE1-CD2 4.29Å; F629-F661 HydrophobicContact CB-CE1 4.36Å; F629-F661 HydrophobicContact CD1-CD1 4.28Å; F629-F661 AromaticContact CD1-CE1 3.74Å; F629-F661 HydrophobicContact CD1-CE1 3.74Å; F629-F661 AromaticContact CD2-CD1 3.52Å; F629-F661 HydrophobicContact CD2-CD1 3.52Å; F629-F661 AromaticContact CD2-CE1 3.82Å; F629-F661 HydrophobicContact CD2-CE1 3.82Å; F629-F661 HydrophobicContact CE1-CD1 4.3Å; F629-F661 AromaticContact CE1-CE1 3.91Å; F629-F661 HydrophobicContact CE1-CE1 3.91Å; F629-F661 AromaticContact CE2-CD1 3.52Å; F629-F661 HydrophobicContact CE2-CD1 3.52Å; F629-F661 AromaticContact CE2-CE1 3.96Å; F629-F661 HydrophobicContact CE2-CE1 3.96Å; F629-F661 HydrophobicContact CE2-CG 4.27Å; F629-F661 AromaticContact CG-CD1 3.91Å; F629-F661 HydrophobicContact CG-CD1 3.91Å; F629-F661 AromaticContact CG-CE1 3.69Å; F629-F661 HydrophobicContact CG-CE1 3.69Å; F629-F661 AromaticContact CZ-CD1 3.94Å; F629-F661 HydrophobicContact CZ-CD1 3.94Å; F629-F661 HydrophobicContact CZ-CE1 4.01Å; F629-T666 HydrophobicContact CE2-CG2 4.47Å; F629-T666 WeakPolarHBondContact CE2-OG1 3.42Å; F629-W667 HydrophobicContact CB-CE3 4.22Å; F629-W667 HydrophobicContact CB-CH2 4.34Å; F629-W667 HydrophobicContact CB-CZ3 4.01Å; F629-W667 HydrophobicContact CD2-CD2 4.11Å; F629-W667 AromaticContact CD2-CE2 3.88Å; F629-W667 HydrophobicContact CD2-CE3 4.41Å; F629-W667 HydrophobicContact CD2-CH2 4.34Å; F629-W667 HydrophobicContact CD2-CZ2 4.02Å
630	Q	82.3	Confident	90.3	Very high	96 Å²	96	27.4 Å²	27.4	45%	0.449	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	-122	179.2	-56.5	-177	-10.9	0	0	112.6	T666	Q630-T666 HydrophobicContact CG-CG2 4.48Å; Q630-T666 PolarHBondContact N-O 3.46Å
631	N	75.1	Confident	90.7	Very high	168 Å²	168	27.5 Å²	27.5	90%	0.898	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	4.6	179	-63.6	-20.1	0	0	0	113.5	F629 G633	F629-N631 PolarHBondContact O-N 3.48Å; N631-G633 VanDerWaalsContact C-N 3.33Å
632	Y	74.8	Confident	90.7	Very high	155 Å²	155	27.9 Å²	27.9	61%	0.608	14%	0.144	S	C	*	.	S	Bend	trans	-82.2	-11.8	-177	-68.2	-91	0	0	0	113.2	F629	F629-Y632 AromaticContact CD1-CD2 3.91Å; F629-Y632 HydrophobicContact CD1-CD2 3.91Å; F629-Y632 HydrophobicContact CD1-CE2 4.48Å; F629-Y632 HydrophobicContact CE1-CD2 4.39Å; F629-Y632 WeakPolarHBondContact O-CB 3.47Å; F629-Y632 PolarHBondContact O-N 2.83Å
633	G	85.6	Confident	90.7	Very high	27 Å²	27	31.9 Å²	31.9	28%	0.278	16%	0.162	S	C	.	.			trans	77.2	-152.4	-174.1	0	0	0	0	0	111.6	H628 F629 N631	H628-G633 CarbonylContact C-O 3.45Å; H628-G633 WeakPolarHBondContact CA-O 3.47Å; F629-G633 PolarHBondContact N-O 2.84Å; N631-G633 VanDerWaalsContact C-N 3.33Å
634	H	89.9	Confident	90.7	Very high	28 Å²	28	34.5 Å²	34.5	13%	0.13	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.9	177.1	176.7	77.3	0	0	0	111.8	S626 C636 W744 G797	S626-H634 PolarHBondContact OG-ND1 3.37Å; H634-C636 VanDerWaalsContact CE1-C 3.42Å; H634-C636 PolarHBondContact CE1-O 2.64Å; H634-C636 PolarHBondContact ND1-O 3.49Å; H634-W744 AromaticContact CE1-CE3 3.73Å; H634-G797 PolarHBondContact NE2-O 3.3Å; H634-G797 VanDerWaalsContact NE2-O 3.07Å
635	V	88.4	Confident	90.7	Very high	46 Å²	46	35.2 Å²	35.2	28%	0.279	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-38	178.8	175.9	0	0	0	0	112.3	L627 F629 W667	L627-V635 PolarHBondContact O-N 3.14Å; F629-V635 HydrophobicContact CB-CB 4.49Å; F629-V635 HydrophobicContact CB-CG2 3.81Å; V635-W667 HydrophobicContact CB-CZ3 4.47Å
636	C	92.5	Very high	90.8	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.034	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159	179.7	-77.1	0	0	0	0	111.6	L627 H634 C652 S799	L627-C636 VanDerWaalsContact CB-O 3.26Å; L627-C636 WeakPolarHBondContact CB-O 3.14Å; L627-C636 HydrophobicContact CD1-CB 4.22Å; L627-C636 PolarHBondContact N-O 3.23Å; H634-C636 VanDerWaalsContact CE1-C 3.42Å; H634-C636 PolarHBondContact CE1-O 2.64Å; H634-C636 PolarHBondContact ND1-O 3.49Å; C636-C652 HydrophobicContact CB-CB 3.8Å; C636-C652 WeakPolarHBondContact CB-SG 3.32Å; C636-C652 WeakPolarHBondContact SG-CB 3.09Å; C636-C652 CovalentContact SG-SG 2.04Å; C636-C652 PolarHBondContact SG-SG 3Å; C636-S799 CarbonylContact C-O 3.5Å; C636-S799 WeakPolarHBondContact CA-O 3.21Å; C636-S799 WeakPolarHBondContact CB-O 3.11Å
637	G	94.4	Very high	90.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	165.5	164.5	0	0	0	0	0	113.1	V625 T648 S799 G800	V625-G637 CarbonylContact O-C 3.51Å; V625-G637 WeakPolarHBondContact O-CA 3.41Å; G637-T648 PolarHBondContact O-OG1 3.29Å; G637-S799 PolarHBondContact N-O 2.84Å; G637-G800 CarbonylContact C-O 3.52Å; G637-G800 CarbonylContact O-C 3.51Å; G637-G800 WeakPolarHBondContact O-CA 3.42Å
638	A	96.3	Very high	90.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.2	165.6	0	0	0	0	0	110.5	Q624 V625 L627 L646 V647 G800	Q624-A638 PolarHBondContact OE1-O 2.83Å; V625-A638 HydrophobicContact CB-CB 3.99Å; V625-A638 WeakPolarHBondContact CB-O 3.43Å; V625-A638 HydrophobicContact CG1-CB 4.25Å; V625-A638 PolarHBondContact N-O 2.79Å; V625-A638 PolarHBondContact O-N 3.03Å; L627-A638 HydrophobicContact CD1-CB 3.89Å; L627-A638 HydrophobicContact CD2-CB 3.98Å; L627-A638 HydrophobicContact CG-CB 3.86Å; A638-L646 HydrophobicContact CB-CB 4.37Å; A638-L646 HydrophobicContact CB-CD1 4.35Å; A638-V647 CarbonylContact C-O 3.51Å; A638-V647 VanDerWaalsContact CA-O 3.31Å; A638-V647 WeakPolarHBondContact CA-O 3.41Å; A638-V647 WeakPolarHBondContact CB-O 3.16Å; A638-G800 WeakPolarHBondContact CA-O 3.38Å
639	S	97	Very high	91	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.8	-178.8	-51.4	0	0	0	0	111.2	W623 I641 L646 V647 P802	W623-S639 WeakPolarHBondContact O-CA 3.2Å; S639-I641 PolarHBondContact O-N 2.67Å; S639-L646 CarbonylContact O-C 3.59Å; S639-L646 VanDerWaalsContact O-CA 3.22Å; S639-L646 WeakPolarHBondContact O-CA 3Å; S639-V647 PolarHBondContact N-O 2.88Å; S639-V647 PolarHBondContact O-N 2.99Å; S639-P802 WeakPolarHBondContact OG-CB 3.35Å
640	I	96.1	Very high	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.2	173.5	-53.6	176.9	0	0	0	109.8	W623 V625 L646 L671 I715 I721 P723 I724	W623-I640 HydrophobicContact CB-CB 4.34Å; W623-I640 WeakPolarHBondContact O-CG1 3.01Å; W623-I640 PolarHBondContact O-N 3.49Å; V625-I640 HydrophobicContact CG2-CD1 4.14Å; V625-I640 HydrophobicContact CG2-CG1 3.47Å; V625-I640 VanDerWaalsContact CG2-CG1 3.47Å; I640-L646 HydrophobicContact CB-CD2 4.2Å; I640-L646 HydrophobicContact CG1-CD2 3.87Å; I640-L646 HydrophobicContact CG2-CD2 4.46Å; I640-L671 HydrophobicContact CD1-CB 4.49Å; I640-L671 HydrophobicContact CD1-CD2 3.67Å; I640-L671 HydrophobicContact CG1-CD2 3.92Å; I640-I715 HydrophobicContact CD1-CD1 4.01Å; I640-I715 HydrophobicContact CG2-CD1 3.79Å; I640-I721 HydrophobicContact CD1-CG2 3.75Å; I640-P723 HydrophobicContact CG2-CB 4.14Å; I640-P723 CarbonylContact O-C 3.55Å; I640-P723 VanDerWaalsContact O-CA 3.29Å; I640-P723 WeakPolarHBondContact O-CA 3.41Å; I640-I724 WeakPolarHBondContact O-CG2 3.21Å; I640-I724 PolarHBondContact O-N 2.84Å
641	I	94.3	Very high	91.6	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.046	16%	0.162	C	C	.	.			trans	-110.8	-19.3	173.4	60.1	158.4	0	0	0	113.5	S639 W645 V647 L708 I724 L726 I842 T846	S639-I641 PolarHBondContact O-N 2.67Å; I641-W645 HydrophobicContact CD1-CB 3.99Å; I641-W645 HydrophobicContact CG1-CB 3.81Å; I641-W645 VanDerWaalsContact CG1-O 3.23Å; I641-W645 WeakPolarHBondContact CG1-O 3.34Å; I641-W645 PolarHBondContact N-O 2.7Å; I641-V647 HydrophobicContact CB-CG2 4.5Å; I641-V647 HydrophobicContact CD1-CG2 3.76Å; I641-V647 HydrophobicContact CG1-CG2 4.11Å; I641-V647 HydrophobicContact CG2-CB 4.36Å; I641-V647 HydrophobicContact CG2-CG2 3.63Å; I641-L708 HydrophobicContact CD1-CD2 4.2Å; I641-I724 HydrophobicContact CG2-CG2 4.44Å; I641-L726 HydrophobicContact CB-CD1 4.23Å; I641-L726 HydrophobicContact CB-CG 4.45Å; I641-L726 HydrophobicContact CD1-CD1 4.2Å; I641-L726 HydrophobicContact CG2-CD1 4.2Å; I641-L726 HydrophobicContact CG2-CD2 3.87Å; I641-L726 HydrophobicContact CG2-CG 4.05Å; I641-I842 HydrophobicContact CD1-CG2 3.79Å; I641-T846 HydrophobicContact CD1-CG2 4.31Å
642	S	91.8	Very high	92.3	Very high	19 Å²	19	24 Å²	24	13%	0.133	12%	0.122	C	C	.	.	S	Bend	trans	-160.6	-178.8	170.4	68.6	0	0	0	0	111.1	N644 W645	S642-N644 PolarHBondContact O-N 3.11Å; S642-N644 VanDerWaalsContact O-N 3.09Å; S642-N644 PolarHBondContact OG-N 3.1Å; S642-W645 PolarHBondContact N-O 2.78Å; S642-W645 PolarHBondContact O-N 2.82Å; S642-W645 WeakPolarHBondContact OG-CB 3.43Å; S642-W645 PolarHBondContact OG-N 3.07Å
643	E	90.7	Very high	92.8	Very high	89 Å²	89	17 Å²	17	42%	0.416	10%	0.095	S	C	.	.	S	Bend	trans	-57.5	-24	177.6	-61.9	-171.5	159	0	0	114.1	P714 I715 Y717	E643-P714 HydrophobicContact CB-CB 4.14Å; E643-P714 CarbonylContact O-C 3.54Å; E643-P714 VanDerWaalsContact O-CA 3.3Å; E643-P714 WeakPolarHBondContact O-CA 3.29Å; E643-I715 WeakPolarHBondContact O-CG1 3.38Å; E643-I715 PolarHBondContact O-N 3.28Å; E643-Y717 HydrophobicContact CG-CE1 4.12Å; E643-Y717 HydrophobicContact CG-CE2 3.93Å; E643-Y717 WeakPolarHBondContact CG-OH 3.46Å; E643-Y717 PolarHBondContact N-OH 3.46Å; E643-Y717 VanDerWaalsContact N-OH 3.07Å
644	N	93.9	Very high	92.5	Very high	56 Å²	56	19 Å²	19	30%	0.299	10%	0.097	S	C	.	.	S	Bend	trans	-119.9	-8.3	-175.2	-64.5	-68.9	0	0	0	114.2	S642 E710 L711 P714	S642-N644 PolarHBondContact O-N 3.11Å; S642-N644 VanDerWaalsContact O-N 3.09Å; S642-N644 PolarHBondContact OG-N 3.1Å; N644-E710 WeakPolarHBondContact O-CA 3.19Å; N644-L711 PolarHBondContact O-N 3.48Å; N644-P714 VanDerWaalsContact OD1-CA 3.32Å; N644-P714 WeakPolarHBondContact OD1-CA 3.25Å; N644-P714 WeakPolarHBondContact OD1-CB 3.31Å
645	W	96.4	Very high	91.7	Very high	18 Å²	18	22.6 Å²	22.6	7%	0.068	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.5	-167.2	-66.5	104.7	0	0	0	113.6	I641 S642 I692 L708 M709 E710 N845 T846	I641-W645 HydrophobicContact CD1-CB 3.99Å; I641-W645 HydrophobicContact CG1-CB 3.81Å; I641-W645 VanDerWaalsContact CG1-O 3.23Å; I641-W645 WeakPolarHBondContact CG1-O 3.34Å; I641-W645 PolarHBondContact N-O 2.7Å; S642-W645 PolarHBondContact N-O 2.78Å; S642-W645 PolarHBondContact O-N 2.82Å; S642-W645 WeakPolarHBondContact OG-CB 3.43Å; S642-W645 PolarHBondContact OG-N 3.07Å; W645-I692 HydrophobicContact CH2-CD1 3.84Å; W645-I692 HydrophobicContact CZ3-CD1 3.99Å; W645-L708 HydrophobicContact CE3-CB 4.28Å; W645-L708 HydrophobicContact CZ3-CB 4.15Å; W645-M709 WeakPolarHBondContact CA-O 3.39Å; W645-E710 HydrophobicContact CD2-CB 4.35Å; W645-E710 HydrophobicContact CD2-CG 4.26Å; W645-E710 HydrophobicContact CE3-CB 3.87Å; W645-E710 HydrophobicContact CE3-CG 4.27Å; W645-E710 HydrophobicContact CH2-CB 3.88Å; W645-E710 HydrophobicContact CH2-CG 4.08Å; W645-E710 HydrophobicContact CZ2-CB 4.33Å; W645-E710 HydrophobicContact CZ2-CG 4.02Å; W645-E710 HydrophobicContact CZ3-CB 3.62Å; W645-E710 HydrophobicContact CZ3-CG 4.2Å; W645-N845 WeakPolarHBondContact CZ2-O 3.15Å; W645-T846 HydrophobicContact CB-CG2 4.23Å; W645-T846 HydrophobicContact CD2-CG2 3.47Å; W645-T846 VanDerWaalsContact CD2-CG2 3.47Å; W645-T846 HydrophobicContact CE3-CG2 3.66Å; W645-T846 HydrophobicContact CG-CG2 3.75Å; W645-T846 HydrophobicContact CH2-CG2 4.3Å; W645-T846 HydrophobicContact CZ2-CG2 4.18Å; W645-T846 HydrophobicContact CZ3-CG2 4.07Å; W645-T846 PolarHBondContact NE1-O 2.75Å
646	L	97.3	Very high	90.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.9	170.9	-46.7	179.4	0	0	0	111.2	V625 L627 A638 S639 I640 V669 L671 L708 M709 L711	V625-L646 HydrophobicContact CG1-CD1 3.95Å; V625-L646 HydrophobicContact CG2-CD1 4.42Å; V625-L646 HydrophobicContact CG2-CD2 4.1Å; L627-L646 HydrophobicContact CD2-CD1 4.49Å; A638-L646 HydrophobicContact CB-CB 4.37Å; A638-L646 HydrophobicContact CB-CD1 4.35Å; S639-L646 CarbonylContact O-C 3.59Å; S639-L646 VanDerWaalsContact O-CA 3.22Å; S639-L646 WeakPolarHBondContact O-CA 3Å; I640-L646 HydrophobicContact CB-CD2 4.2Å; I640-L646 HydrophobicContact CG1-CD2 3.87Å; I640-L646 HydrophobicContact CG2-CD2 4.46Å; L646-V669 HydrophobicContact CD1-CG1 3.62Å; L646-L671 HydrophobicContact CD2-CD2 4.27Å; L646-L708 WeakPolarHBondContact O-CA 3.36Å; L646-M709 HydrophobicContact CB-CB 4.28Å; L646-M709 PolarHBondContact N-O 3.46Å; L646-M709 PolarHBondContact O-N 3.28Å; L646-L711 HydrophobicContact CD1-CD2 3.96Å; L646-L711 HydrophobicContact CG-CD2 4.13Å
647	V	97.3	Very high	88.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.6	167.9	176.7	0	0	0	0	109.4	A638 S639 I641 I706 L708 L813 V816 I842	A638-V647 CarbonylContact C-O 3.51Å; A638-V647 VanDerWaalsContact CA-O 3.31Å; A638-V647 WeakPolarHBondContact CA-O 3.41Å; A638-V647 WeakPolarHBondContact CB-O 3.16Å; S639-V647 PolarHBondContact N-O 2.88Å; S639-V647 PolarHBondContact O-N 2.99Å; I641-V647 HydrophobicContact CB-CG2 4.5Å; I641-V647 HydrophobicContact CD1-CG2 3.76Å; I641-V647 HydrophobicContact CG1-CG2 4.11Å; I641-V647 HydrophobicContact CG2-CB 4.36Å; I641-V647 HydrophobicContact CG2-CG2 3.63Å; V647-I706 HydrophobicContact CG1-CD1 3.94Å; V647-I706 HydrophobicContact CG1-CG1 3.9Å; V647-L708 HydrophobicContact CG2-CD2 3.79Å; V647-L813 HydrophobicContact CB-CD2 4.41Å; V647-L813 HydrophobicContact CG1-CD2 4.43Å; V647-V816 HydrophobicContact CG1-CG2 3.8Å; V647-I842 HydrophobicContact CG2-CD1 4.49Å
648	T	96.5	Very high	86.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-176.4	172.4	-172.9	0	0	0	0	109.9	L627 G637 A707 M709 G800	L627-T648 HydrophobicContact CD1-CG2 4.17Å; G637-T648 PolarHBondContact O-OG1 3.29Å; T648-A707 HydrophobicContact CG2-CB 4.22Å; T648-A707 PolarHBondContact N-O 2.82Å; T648-A707 PolarHBondContact O-N 3.39Å; T648-M709 HydrophobicContact CG2-CE 3.92Å; T648-M709 HydrophobicContact CG2-CG 4.21Å; T648-M709 HydrophobicContact CG2-SD 4.06Å; T648-G800 WeakPolarHBondContact OG1-CA 3.29Å
649	A	94.8	Very high	85.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.			trans	-77.8	149.4	175.7	0	0	0	0	0	111.4	V816	A649-V816 HydrophobicContact CB-CG1 4.24Å
650	A	92.6	Very high	83.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-71.6	-33.4	175.8	0	0	0	0	0	112.6	C652 V653 Q654 S693 Y697 D705	A650-C652 PolarHBondContact O-N 2.92Å; A650-V653 VanDerWaalsContact O-CG2 3.23Å; A650-V653 WeakPolarHBondContact O-CG2 3.32Å; A650-V653 PolarHBondContact O-N 2.78Å; A650-Q654 PolarHBondContact O-N 2.87Å; A650-S693 WeakPolarHBondContact CB-OG 3.21Å; A650-Y697 HydrophobicContact CB-CD1 3.35Å; A650-Y697 HydrophobicContact CB-CD2 3.86Å; A650-Y697 HydrophobicContact CB-CE1 3.86Å; A650-Y697 HydrophobicContact CB-CE2 4.3Å; A650-Y697 HydrophobicContact CB-CG 3.4Å; A650-Y697 VanDerWaalsContact CB-CG 3.4Å; A650-D705 VanDerWaalsContact CA-OD1 3.3Å; A650-D705 WeakPolarHBondContact CA-OD1 2.92Å; A650-D705 WeakPolarHBondContact CB-OD1 3.45Å; A650-D705 PolarHBondContact N-OD1 2.75Å
651	H	88	Confident	82.8	Confident	45 Å²	45	48.7 Å²	48.7	21%	0.208	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.3	-31.9	177.8	79.4	-102	0	0	0	112.3	V653 Q654 Y697 F702 D705 S799 S818	H651-V653 PolarHBondContact O-N 2.03Å; H651-Q654 PolarHBondContact O-N 3.45Å; H651-Y697 HydrophobicContact CB-CE1 4.27Å; H651-Y697 VanDerWaalsContact CB-OH 3.27Å; H651-Y697 WeakPolarHBondContact CB-OH 3.39Å; H651-F702 HydrophobicContact CB-CD1 4.41Å; H651-F702 HydrophobicContact CB-CE1 4.16Å; H651-D705 IonicContact CE1-OD2 2.86Å; H651-D705 IonicContact CG-OD1 3.94Å; H651-D705 IonicContact CG-OD2 3.37Å; H651-D705 PolarHBondContact N-OD1 2.95Å; H651-D705 IonicContact ND1-OD1 2.79Å; H651-D705 PolarHBondContact ND1-OD1 2.85Å; H651-D705 IonicContact ND1-OD2 3.63Å; H651-D705 PolarHBondContact ND1-OD2 2.88Å; H651-S799 PolarHBondContact CE1-OG 2.78Å; H651-S799 WeakPolarHBondContact NE2-CB 2.98Å; H651-S799 PolarHBondContact NE2-OG 2.97Å; H651-S818 PolarHBondContact CE1-O 3.38Å
652	C	88.9	Confident	81.8	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.047	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23	173.6	-70.6	0	0	0	0	113.6	C636 A650 W667	C636-C652 HydrophobicContact CB-CB 3.8Å; C636-C652 WeakPolarHBondContact CB-SG 3.32Å; C636-C652 WeakPolarHBondContact SG-CB 3.09Å; C636-C652 CovalentContact SG-SG 2.04Å; C636-C652 PolarHBondContact SG-SG 3Å; A650-C652 PolarHBondContact O-N 2.92Å; C652-W667 VanDerWaalsContact O-CZ2 3.23Å; C652-W667 WeakPolarHBondContact O-CZ2 3.23Å
653	V	86.9	Confident	81.4	Confident	6 Å²	6	52.5 Å²	52.5	4%	0.036	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-116.6	4.8	-175.4	-60.5	0	0	0	0	114	A650 H651 F661 G662 W667 I691 A707 M709	A650-V653 VanDerWaalsContact O-CG2 3.23Å; A650-V653 WeakPolarHBondContact O-CG2 3.32Å; A650-V653 PolarHBondContact O-N 2.78Å; H651-V653 PolarHBondContact O-N 2.03Å; V653-F661 CarbonylContact O-C 3.56Å; V653-G662 WeakPolarHBondContact O-CA 3.47Å; V653-G662 PolarHBondContact O-N 3.26Å; V653-W667 HydrophobicContact CG1-CZ2 4.44Å; V653-I691 HydrophobicContact CB-CG2 3.87Å; V653-I691 HydrophobicContact CG1-CD1 4.38Å; V653-I691 HydrophobicContact CG1-CG2 3.84Å; V653-I691 HydrophobicContact CG2-CG2 3.94Å; V653-A707 HydrophobicContact CG2-CB 3.65Å; V653-M709 HydrophobicContact CG1-CE 3.34Å
654	Q	78.7	Confident	81.2	Confident	70 Å²	70	50 Å²	50	33%	0.327	28%	0.275	S	S	.	.	S	Bend	trans	-80.6	136.7	171.7	-80.9	-155.3	-23.5	0	0	111.2	A650 H651 D656 F661 Y697	A650-Q654 PolarHBondContact O-N 2.87Å; H651-Q654 PolarHBondContact O-N 3.45Å; Q654-D656 PolarHBondContact O-N 3.26Å; Q654-F661 WeakPolarHBondContact O-CB 3.16Å; Q654-F661 WeakPolarHBondContact O-CD2 3.32Å; Q654-Y697 VanDerWaalsContact CD-CD1 3.45Å; Q654-Y697 HydrophobicContact CG-CD1 3.89Å; Q654-Y697 HydrophobicContact CG-CE1 3.76Å
655	N	72.7	Confident	80.8	Confident	103 Å²	103	52 Å²	52	55%	0.551	30%	0.299	S	S	*	.			trans	-65.9	127.5	176.7	-60.9	-35.2	0	0	0	110.3	L659 R660 F661 G662	N655-L659 WeakPolarHBondContact CA-O 3.23Å; N655-R660 VanDerWaalsContact OD1-CA 3.22Å; N655-R660 WeakPolarHBondContact OD1-CA 3.34Å; N655-F661 PolarHBondContact OD1-N 3.22Å; N655-G662 PolarHBondContact OD1-N 3.47Å
656	D	56.3	Low	80.3	Confident	120 Å²	120	52 Å²	52	64%	0.642	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-117.4	118.1	175.8	-177.4	20.4	0	0	0	110.2	Q654 N658 L659 F661	Q654-D656 PolarHBondContact O-N 3.26Å; D656-N658 PolarHBondContact O-N 3.49Å; D656-L659 PolarHBondContact N-O 2.76Å; D656-L659 VanDerWaalsContact N-O 3.13Å; D656-L659 PolarHBondContact O-N 3.14Å; D656-F661 HydrophobicContact CB-CD2 4.5Å; D656-F661 HydrophobicContact CB-CE2 4.28Å
657	G	61.7	Low	80	Confident	75 Å²	75	52.1 Å²	52.1	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-107.6	-178.3	0	0	0	0	0	113.8
658	N	55	Low	79.8	Confident	169 Å²	169	55.1 Å²	55.1	90%	0.904	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.5	-179.4	-73.8	-24.6	0	0	0	114	D656	D656-N658 PolarHBondContact O-N 3.49Å
659	L	61.9	Low	79.7	Confident	57 Å²	57	55.1 Å²	55.1	30%	0.298	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-98.5	122.2	-176.4	-63.2	178.4	0	0	0	110.9	F629 N655 D656 F661	F629-L659 HydrophobicContact CE1-CD2 4.29Å; N655-L659 WeakPolarHBondContact CA-O 3.23Å; D656-L659 PolarHBondContact N-O 2.76Å; D656-L659 VanDerWaalsContact N-O 3.13Å; D656-L659 PolarHBondContact O-N 3.14Å; L659-F661 HydrophobicContact CB-CD2 4.06Å; L659-F661 HydrophobicContact CB-CE2 3.51Å; L659-F661 HydrophobicContact CB-CZ 3.88Å; L659-F661 HydrophobicContact CD1-CE2 4Å; L659-F661 HydrophobicContact CD1-CZ 3.74Å; L659-F661 HydrophobicContact CG-CE2 4.42Å; L659-F661 HydrophobicContact CG-CZ 4.45Å; L659-F661 PolarHBondContact O-N 3.34Å
660	R	68.4	Low	79.7	Confident	149 Å²	149	55.5 Å²	55.5	56%	0.562	32%	0.318	S	S	*	.			trans	-95.7	66.3	-174.2	-61.6	-170.5	-176.7	178.1	0.9	112.9	N655 G662 E663	N655-R660 VanDerWaalsContact OD1-CA 3.22Å; N655-R660 WeakPolarHBondContact OD1-CA 3.34Å; R660-G662 PolarHBondContact O-N 2.9Å; R660-G662 VanDerWaalsContact O-N 3.1Å; R660-E663 HydrophobicContact CB-CB 4.45Å; R660-E663 HydrophobicContact CB-CG 4Å; R660-E663 VanDerWaalsContact CD-CD 3.42Å; R660-E663 WeakPolarHBondContact CD-OE1 3.16Å; R660-E663 IonicContact CZ-OE1 3.17Å; R660-E663 IonicContact NE-OE1 2.73Å; R660-E663 IonicContact NH1-OE1 4Å; R660-E663 PolarHBondContact NH1-OE1 3.02Å; R660-E663 PolarHBondContact O-N 3.5Å
661	F	73.8	Confident	79.8	Confident	31 Å²	31	55.5 Å²	55.5	14%	0.136	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.1	177.5	-62.5	-72	0	0	0	114.3	F629 V653 Q654 N655 D656 L659 W667	F629-F661 HydrophobicContact CB-CE1 4.36Å; F629-F661 HydrophobicContact CD1-CD1 4.28Å; F629-F661 AromaticContact CD1-CE1 3.74Å; F629-F661 HydrophobicContact CD1-CE1 3.74Å; F629-F661 AromaticContact CD2-CD1 3.52Å; F629-F661 HydrophobicContact CD2-CD1 3.52Å; F629-F661 AromaticContact CD2-CE1 3.82Å; F629-F661 HydrophobicContact CD2-CE1 3.82Å; F629-F661 HydrophobicContact CE1-CD1 4.3Å; F629-F661 AromaticContact CE1-CE1 3.91Å; F629-F661 HydrophobicContact CE1-CE1 3.91Å; F629-F661 AromaticContact CE2-CD1 3.52Å; F629-F661 HydrophobicContact CE2-CD1 3.52Å; F629-F661 AromaticContact CE2-CE1 3.96Å; F629-F661 HydrophobicContact CE2-CE1 3.96Å; F629-F661 HydrophobicContact CE2-CG 4.27Å; F629-F661 AromaticContact CG-CD1 3.91Å; F629-F661 HydrophobicContact CG-CD1 3.91Å; F629-F661 AromaticContact CG-CE1 3.69Å; F629-F661 HydrophobicContact CG-CE1 3.69Å; F629-F661 AromaticContact CZ-CD1 3.94Å; F629-F661 HydrophobicContact CZ-CD1 3.94Å; F629-F661 HydrophobicContact CZ-CE1 4.01Å; V653-F661 CarbonylContact O-C 3.56Å; Q654-F661 WeakPolarHBondContact O-CB 3.16Å; Q654-F661 WeakPolarHBondContact O-CD2 3.32Å; N655-F661 PolarHBondContact OD1-N 3.22Å; D656-F661 HydrophobicContact CB-CD2 4.5Å; D656-F661 HydrophobicContact CB-CE2 4.28Å; L659-F661 HydrophobicContact CB-CD2 4.06Å; L659-F661 HydrophobicContact CB-CE2 3.51Å; L659-F661 HydrophobicContact CB-CZ 3.88Å; L659-F661 HydrophobicContact CD1-CE2 4Å; L659-F661 HydrophobicContact CD1-CZ 3.74Å; L659-F661 HydrophobicContact CG-CE2 4.42Å; L659-F661 HydrophobicContact CG-CZ 4.45Å; L659-F661 PolarHBondContact O-N 3.34Å; F661-W667 HydrophobicContact CB-CZ2 4.12Å; F661-W667 HydrophobicContact CD1-CH2 4.16Å; F661-W667 AromaticContact CD1-CZ2 3.78Å; F661-W667 HydrophobicContact CD1-CZ2 3.78Å; F661-W667 HydrophobicContact CG-CZ2 4.43Å; F661-W667 PolarHBondContact O-NE1 3.45Å
662	G	74.4	Confident	79.9	Confident	32 Å²	32	53.8 Å²	53.8	33%	0.33	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.1	173.5	0	0	0	0	0	115.5	V653 N655 R660 P664	V653-G662 WeakPolarHBondContact O-CA 3.47Å; V653-G662 PolarHBondContact O-N 3.26Å; N655-G662 PolarHBondContact OD1-N 3.47Å; R660-G662 PolarHBondContact O-N 2.9Å; R660-G662 VanDerWaalsContact O-N 3.1Å; G662-P664 WeakPolarHBondContact O-CD 3.46Å
663	E	83.3	Confident	80	Confident	76 Å²	76	53.9 Å²	53.9	36%	0.355	31%	0.312	S	S	.	.			trans	-89.2	113.8	-179.7	-74.4	-175.6	177.4	0	0	112	R660 A665 T666	R660-E663 HydrophobicContact CB-CB 4.45Å; R660-E663 HydrophobicContact CB-CG 4Å; R660-E663 VanDerWaalsContact CD-CD 3.42Å; R660-E663 WeakPolarHBondContact CD-OE1 3.16Å; R660-E663 IonicContact CZ-OE1 3.17Å; R660-E663 IonicContact NE-OE1 2.73Å; R660-E663 IonicContact NH1-OE1 4Å; R660-E663 PolarHBondContact NH1-OE1 3.02Å; R660-E663 PolarHBondContact O-N 3.5Å; E663-A665 PolarHBondContact O-N 2.65Å; E663-A665 VanDerWaalsContact O-N 3.07Å; E663-T666 HydrophobicContact CB-CG2 4.06Å; E663-T666 PolarHBondContact O-N 3.09Å; E663-T666 VanDerWaalsContact O-N 3.12Å; E663-T666 PolarHBondContact O-OG1 3.15Å
664	P	86.1	Confident	80.1	Confident	37 Å²	37	55.5 Å²	55.5	24%	0.24	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-58.3	-29.3	-175.2	-24.3	33.3	0	0	0	114.5	G662 T666 W667 L688 I691	G662-P664 WeakPolarHBondContact O-CD 3.46Å; P664-T666 PolarHBondContact O-N 3.18Å; P664-W667 PolarHBondContact O-N 3.09Å; P664-L688 HydrophobicContact CB-CB 3.8Å; P664-L688 WeakPolarHBondContact CB-O 3.47Å; P664-I691 HydrophobicContact CB-CG1 4.42Å; P664-I691 HydrophobicContact CG-CD1 4.39Å; P664-I691 HydrophobicContact CG-CG1 4.19Å
665	A	84.8	Confident	80.6	Confident	98 Å²	98	53.4 Å²	53.4	81%	0.81	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-72.5	-12.2	-177.3	0	0	0	0	0	114.5	E663	E663-A665 PolarHBondContact O-N 2.65Å; E663-A665 VanDerWaalsContact O-N 3.07Å
666	T	86.2	Confident	81.2	Confident	18 Å²	18	50.5 Å²	50.5	11%	0.11	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-91.3	-11	-179.9	61.5	0	0	0	0	113.7	F629 Q630 E663 P664	F629-T666 HydrophobicContact CE2-CG2 4.47Å; F629-T666 WeakPolarHBondContact CE2-OG1 3.42Å; Q630-T666 HydrophobicContact CG-CG2 4.48Å; Q630-T666 PolarHBondContact N-O 3.46Å; E663-T666 HydrophobicContact CB-CG2 4.06Å; E663-T666 PolarHBondContact O-N 3.09Å; E663-T666 VanDerWaalsContact O-N 3.12Å; E663-T666 PolarHBondContact O-OG1 3.15Å; P664-T666 PolarHBondContact O-N 3.18Å
667	W	90.8	Very high	82.5	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.7	-178	-70.2	96.7	0	0	0	112.6	L627 H628 F629 V635 C652 V653 F661 P664 L688 M709	L627-W667 HydrophobicContact CB-CE3 3.87Å; L627-W667 HydrophobicContact CB-CZ3 3.67Å; H628-W667 WeakPolarHBondContact O-CA 3.42Å; F629-W667 HydrophobicContact CB-CE3 4.22Å; F629-W667 HydrophobicContact CB-CH2 4.34Å; F629-W667 HydrophobicContact CB-CZ3 4.01Å; F629-W667 HydrophobicContact CD2-CD2 4.11Å; F629-W667 AromaticContact CD2-CE2 3.88Å; F629-W667 HydrophobicContact CD2-CE3 4.41Å; F629-W667 HydrophobicContact CD2-CH2 4.34Å; F629-W667 HydrophobicContact CD2-CZ2 4.02Å; V635-W667 HydrophobicContact CB-CZ3 4.47Å; C652-W667 VanDerWaalsContact O-CZ2 3.23Å; C652-W667 WeakPolarHBondContact O-CZ2 3.23Å; V653-W667 HydrophobicContact CG1-CZ2 4.44Å; F661-W667 HydrophobicContact CB-CZ2 4.12Å; F661-W667 HydrophobicContact CD1-CH2 4.16Å; F661-W667 AromaticContact CD1-CZ2 3.78Å; F661-W667 HydrophobicContact CD1-CZ2 3.78Å; F661-W667 HydrophobicContact CG-CZ2 4.43Å; F661-W667 PolarHBondContact O-NE1 3.45Å; P664-W667 PolarHBondContact O-N 3.09Å; W667-L688 HydrophobicContact CB-CD1 3.73Å; W667-L688 HydrophobicContact CB-CG 4.23Å; W667-L688 HydrophobicContact CG-CD1 4.01Å; W667-M709 HydrophobicContact CD2-CE 4.48Å
668	E	93.3	Very high	83.4	Confident	62 Å²	62	53.8 Å²	53.8	29%	0.29	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	168.1	-55.8	-160.8	128.4	0	0	109.3	H628 F670 K685	H628-E668 HydrophobicContact CB-CB 4.26Å; H628-E668 PolarHBondContact N-O 2.93Å; H628-E668 PolarHBondContact O-N 3.1Å; E668-F670 HydrophobicContact CB-CE2 3.87Å; E668-K685 WeakPolarHBondContact OE1-CE 3.31Å; E668-K685 IonicContact OE1-NZ 2.64Å; E668-K685 PolarHBondContact OE1-NZ 2.69Å; E668-K685 VanDerWaalsContact OE2-CE 3.23Å; E668-K685 WeakPolarHBondContact OE2-CE 3.29Å; E668-K685 IonicContact OE2-NZ 3.23Å; E668-K685 PolarHBondContact OE2-NZ 3.28Å
669	V	95.6	Very high	84.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.3	-175	-177.7	0	0	0	0	109	V625 L627 L646 L671 K685 R686 L688 L711	V625-V669 HydrophobicContact CG1-CG1 3.49Å; V625-V669 VanDerWaalsContact CG1-CG1 3.49Å; L627-V669 HydrophobicContact CD2-CG1 4.37Å; L627-V669 HydrophobicContact CD2-CG2 4.09Å; L646-V669 HydrophobicContact CD1-CG1 3.62Å; V669-L671 HydrophobicContact CB-CD1 4.46Å; V669-L671 HydrophobicContact CG1-CD1 3.69Å; V669-L671 HydrophobicContact CG1-CG 4.05Å; V669-K685 CarbonylContact O-C 3.55Å; V669-K685 WeakPolarHBondContact O-CA 3.43Å; V669-R686 HydrophobicContact CB-CB 4.2Å; V669-R686 PolarHBondContact N-O 2.61Å; V669-R686 PolarHBondContact O-N 2.76Å; V669-L688 HydrophobicContact CG2-CD1 4.49Å; V669-L688 HydrophobicContact CG2-CD2 3.52Å; V669-L688 HydrophobicContact CG2-CG 3.87Å; V669-L711 HydrophobicContact CG1-CD2 4.17Å; V669-L711 HydrophobicContact CG2-CD2 4.33Å
670	F	95.2	Very high	85.8	Confident	9 Å²	9	51 Å²	51	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.2	177.4	-68.7	-97	0	0	0	110.4	S626 H628 E668 L673 I679 V683 K685	S626-F670 PolarHBondContact N-O 3.07Å; S626-F670 PolarHBondContact O-N 2.93Å; H628-F670 HydrophobicContact CB-CD2 4.25Å; H628-F670 HydrophobicContact CB-CE2 3.98Å; H628-F670 AromaticContact CD2-CD2 3.41Å; H628-F670 VanDerWaalsContact CD2-CD2 3.41Å; H628-F670 WeakPolarHBondContact CD2-CD2 3.36Å; H628-F670 AromaticContact CD2-CE2 3.83Å; H628-F670 AromaticContact CG-CD2 3.7Å; H628-F670 AromaticContact CG-CE2 3.61Å; H628-F670 AromaticContact ND1-CE2 3.72Å; H628-F670 AromaticContact NE2-CD2 3.65Å; E668-F670 HydrophobicContact CB-CE2 3.87Å; F670-L673 HydrophobicContact CB-CB 4.13Å; F670-L673 HydrophobicContact CB-CD2 4.01Å; F670-L673 HydrophobicContact CG-CD2 4.47Å; F670-I679 HydrophobicContact CE1-CD1 3.77Å; F670-I679 HydrophobicContact CE1-CG1 4.14Å; F670-I679 HydrophobicContact CZ-CD1 4.43Å; F670-V683 HydrophobicContact CB-CG1 4.47Å; F670-V683 HydrophobicContact CD1-CG1 4.08Å; F670-K685 HydrophobicContact CD1-CB 4.48Å; F670-K685 HydrophobicContact CD1-CG 4.47Å; F670-K685 HydrophobicContact CE1-CB 4.38Å; F670-K685 HydrophobicContact CE1-CD 3.82Å; F670-K685 HydrophobicContact CE1-CG 4.11Å; F670-K685 HydrophobicContact CZ-CD 3.76Å; F670-K685 HydrophobicContact CZ-CG 4.21Å
671	L	94.3	Very high	86.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.9	-178.5	-53	97.8	0	0	0	110.5	V625 I640 L646 V669 L673 V684 R686 L711 I715 I721	V625-L671 HydrophobicContact CG1-CG 4.4Å; V625-L671 HydrophobicContact CG2-CD2 4.13Å; V625-L671 HydrophobicContact CG2-CG 4.15Å; I640-L671 HydrophobicContact CD1-CB 4.49Å; I640-L671 HydrophobicContact CD1-CD2 3.67Å; I640-L671 HydrophobicContact CG1-CD2 3.92Å; L646-L671 HydrophobicContact CD2-CD2 4.27Å; V669-L671 HydrophobicContact CB-CD1 4.46Å; V669-L671 HydrophobicContact CG1-CD1 3.69Å; V669-L671 HydrophobicContact CG1-CG 4.05Å; L671-L673 PolarHBondContact O-N 3.09Å; L671-V684 HydrophobicContact CD1-CG1 4.49Å; L671-V684 VanDerWaalsContact CD1-O 3.23Å; L671-V684 WeakPolarHBondContact CD1-O 3.32Å; L671-V684 PolarHBondContact N-O 2.93Å; L671-V684 PolarHBondContact O-N 3.39Å; L671-R686 HydrophobicContact CD1-CB 4.06Å; L671-R686 HydrophobicContact CD1-CG 3.85Å; L671-L711 HydrophobicContact CD2-CD1 4.48Å; L671-I715 HydrophobicContact CD1-CG2 4.28Å; L671-I715 HydrophobicContact CD2-CD1 3.56Å; L671-I715 HydrophobicContact CD2-CG2 4.02Å; L671-I721 HydrophobicContact CB-CD1 4.08Å; L671-I721 HydrophobicContact CB-CG1 4.42Å
672	G	89.6	Confident	86.8	Confident	9 Å²	9	50.7 Å²	50.7	9%	0.093	28%	0.276	C	S	.	.	S	Bend	trans	69.9	13.2	-174.1	0	0	0	0	0	114.1	F682 H720	G672-F682 WeakPolarHBondContact O-CE2 3.46Å; G672-H720 WeakPolarHBondContact CA-O 3.32Å
673	L	91.3	Very high	87.6	Confident	9 Å²	9	50 Å²	50	5%	0.047	27%	0.266	C	S	.	.			trans	-65.9	143.7	172.8	-171.9	67.6	0	0	0	109.7	F670 L671 D675 V683 W744	F670-L673 HydrophobicContact CB-CB 4.13Å; F670-L673 HydrophobicContact CB-CD2 4.01Å; F670-L673 HydrophobicContact CG-CD2 4.47Å; L671-L673 PolarHBondContact O-N 3.09Å; L673-D675 WeakPolarHBondContact CD1-O 3.45Å; L673-V683 HydrophobicContact CB-CG1 4.24Å; L673-V683 HydrophobicContact CD1-CG1 4.13Å; L673-V683 HydrophobicContact CD1-CG2 4.12Å; L673-W744 HydrophobicContact CB-CZ2 4.38Å; L673-W744 HydrophobicContact CG-CZ2 4.48Å; L673-W744 VanDerWaalsContact O-CZ2 3.31Å; L673-W744 WeakPolarHBondContact O-CZ2 3.5Å
674	H	88.9	Confident	88.1	Confident	40 Å²	40	48 Å²	48	19%	0.185	26%	0.259	C	S	.	.			trans	-124.6	-50.8	176.5	179.5	41.7	0	0	0	111.5	A616 Q618 W744 V756 L757	A616-H674 PolarHBondContact O-CE1 2.87Å; Q618-H674 HydrophobicContact CG-CB 4.4Å; H674-W744 PolarHBondContact O-NE1 3.33Å; H674-V756 WeakPolarHBondContact CE1-CG1 3.44Å; H674-L757 PolarHBondContact O-N 2.93Å
675	D	88.6	Confident	88.4	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.139	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-109.7	123	173.1	-171.3	-18.9	0	0	0	111.7	L673 R677 K678 K755	L673-D675 WeakPolarHBondContact CD1-O 3.45Å; D675-R677 PolarHBondContact O-N 2.93Å; D675-R677 VanDerWaalsContact O-N 3.09Å; D675-R677 VanDerWaalsContact OD1-CB 3.25Å; D675-R677 WeakPolarHBondContact OD1-CB 3.15Å; D675-R677 VanDerWaalsContact OD1-CG 3.31Å; D675-R677 WeakPolarHBondContact OD1-CG 3.47Å; D675-R677 PolarHBondContact OD1-N 3.04Å; D675-R677 IonicContact OD1-NE 2.75Å; D675-R677 PolarHBondContact OD1-NE 3.31Å; D675-R677 VanDerWaalsContact OD1-NE 3.09Å; D675-R677 IonicContact OD2-CZ 3.73Å; D675-R677 IonicContact OD2-NE 2.82Å; D675-R677 PolarHBondContact OD2-NE 3.21Å; D675-R677 IonicContact OD2-NH2 3.38Å; D675-R677 PolarHBondContact OD2-NH2 3.12Å; D675-K678 PolarHBondContact O-N 2.86Å; D675-K678 VanDerWaalsContact O-N 3.15Å; D675-K678 VanDerWaalsContact O-O 3.11Å; D675-K755 CarbonylContact C-O 3.44Å; D675-K755 WeakPolarHBondContact CA-O 3.43Å
676	Q	86.4	Confident	88.9	Confident	41 Å²	41	48.9 Å²	48.9	19%	0.192	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.7	175.3	-66	-71.9	-20	0	0	114	S626 H628 W744 K755	S626-Q676 PolarHBondContact OG-NE2 3.41Å; H628-Q676 PolarHBondContact CE1-OE1 2.86Å; H628-Q676 PolarHBondContact NE2-OE1 3.45Å; Q676-W744 HydrophobicContact CG-CB 4.41Å; Q676-W744 HydrophobicContact CG-CG 3.99Å; Q676-W744 VanDerWaalsContact NE2-CD2 3.35Å; Q676-W744 VanDerWaalsContact NE2-CG 3.35Å; Q676-K755 HydrophobicContact CB-CD 4.36Å; Q676-K755 WeakPolarHBondContact CG-O 3.27Å; Q676-K755 PolarHBondContact N-O 3.29Å
677	R	83.4	Confident	89.3	Confident	178 Å²	178	54.2 Å²	54.2	67%	0.672	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-24.5	178.6	-58.8	173.3	-67.6	-179.9	3	113.5	D675 K755	D675-R677 PolarHBondContact O-N 2.93Å; D675-R677 VanDerWaalsContact O-N 3.09Å; D675-R677 VanDerWaalsContact OD1-CB 3.25Å; D675-R677 WeakPolarHBondContact OD1-CB 3.15Å; D675-R677 VanDerWaalsContact OD1-CG 3.31Å; D675-R677 WeakPolarHBondContact OD1-CG 3.47Å; D675-R677 PolarHBondContact OD1-N 3.04Å; D675-R677 IonicContact OD1-NE 2.75Å; D675-R677 PolarHBondContact OD1-NE 3.31Å; D675-R677 VanDerWaalsContact OD1-NE 3.09Å; D675-R677 IonicContact OD2-CZ 3.73Å; D675-R677 IonicContact OD2-NE 2.82Å; D675-R677 PolarHBondContact OD2-NE 3.21Å; D675-R677 IonicContact OD2-NH2 3.38Å; D675-R677 PolarHBondContact OD2-NH2 3.12Å; R677-K755 HydrophobicContact CG-CB 4.25Å; R677-K755 HydrophobicContact CG-CD 4.44Å; R677-K755 HydrophobicContact CG-CG 4.31Å
678	K	80.4	Confident	89.5	Confident	87 Å²	87	54.7 Å²	54.7	38%	0.378	26%	0.263	S	S	.	.			trans	-135	108.6	-167.5	-171	-175.5	-177.6	-159.4	0	110.2	E256 D675 E680	E256-K678 IonicContact OE1-NZ 3.58Å; E256-K678 PolarHBondContact OE1-NZ 3.01Å; D675-K678 PolarHBondContact O-N 2.86Å; D675-K678 VanDerWaalsContact O-N 3.15Å; D675-K678 VanDerWaalsContact O-O 3.11Å; K678-E680 VanDerWaalsContact CD-OE1 3.23Å; K678-E680 WeakPolarHBondContact CD-OE1 3.49Å; K678-E680 WeakPolarHBondContact CE-OE1 2.98Å; K678-E680 HydrophobicContact CG-CG 4.48Å; K678-E680 IonicContact NZ-OE1 2.73Å; K678-E680 PolarHBondContact NZ-OE1 3.07Å; K678-E680 IonicContact NZ-OE2 3.34Å; K678-E680 PolarHBondContact O-N 2.73Å
679	I	84	Confident	89.5	Confident	115 Å²	115	58.1 Å²	58.1	59%	0.59	28%	0.277	S	S	*	.			trans	-80.8	98.1	172.6	-59.2	165.4	0	0	0	107.5	F670 V683	F670-I679 HydrophobicContact CE1-CD1 3.77Å; F670-I679 HydrophobicContact CE1-CG1 4.14Å; F670-I679 HydrophobicContact CZ-CD1 4.43Å; I679-V683 HydrophobicContact CG2-CB 3.99Å; I679-V683 HydrophobicContact CG2-CG1 4.07Å
680	E	81.9	Confident	89.4	Confident	52 Å²	52	63.3 Å²	63.3	24%	0.243	30%	0.297	C	S	.	.			trans	-68.7	158.8	179.3	-69.4	-72.9	-170.5	0	0	113.2	K678 F682 V683	K678-E680 VanDerWaalsContact CD-OE1 3.23Å; K678-E680 WeakPolarHBondContact CD-OE1 3.49Å; K678-E680 WeakPolarHBondContact CE-OE1 2.98Å; K678-E680 HydrophobicContact CG-CG 4.48Å; K678-E680 IonicContact NZ-OE1 2.73Å; K678-E680 PolarHBondContact NZ-OE1 3.07Å; K678-E680 IonicContact NZ-OE2 3.34Å; K678-E680 PolarHBondContact O-N 2.73Å; E680-F682 HydrophobicContact CB-CD1 3.92Å; E680-F682 HydrophobicContact CB-CD2 4.41Å; E680-F682 HydrophobicContact CB-CE1 3.41Å; E680-F682 VanDerWaalsContact CB-CE1 3.41Å; E680-F682 HydrophobicContact CB-CE2 3.97Å; E680-F682 HydrophobicContact CB-CG 4.39Å; E680-F682 HydrophobicContact CB-CZ 3.43Å; E680-F682 VanDerWaalsContact CB-CZ 3.43Å; E680-F682 HydrophobicContact CG-CE1 3.83Å; E680-F682 HydrophobicContact CG-CZ 3.68Å; E680-F682 PolarHBondContact O-N 2.72Å; E680-F682 VanDerWaalsContact O-N 3.1Å; E680-V683 HydrophobicContact CB-CG2 3.94Å; E680-V683 WeakPolarHBondContact O-CB 3.21Å; E680-V683 PolarHBondContact O-N 3.08Å
681	S	81.5	Confident	89.4	Confident	124 Å²	124	64.4 Å²	64.4	87%	0.867	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.4	-177.1	61.9	0	0	0	0	115.4
682	F	82.9	Confident	89.4	Confident	49 Å²	49	65.7 Å²	65.7	22%	0.215	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.4	175.3	55.4	-98	0	0	0	113.6	Q618 G672 E680 V684 H720	Q618-F682 HydrophobicContact CG-CZ 4.11Å; Q618-F682 VanDerWaalsContact NE2-CE1 3.32Å; G672-F682 WeakPolarHBondContact O-CE2 3.46Å; E680-F682 HydrophobicContact CB-CD1 3.92Å; E680-F682 HydrophobicContact CB-CD2 4.41Å; E680-F682 HydrophobicContact CB-CE1 3.41Å; E680-F682 VanDerWaalsContact CB-CE1 3.41Å; E680-F682 HydrophobicContact CB-CE2 3.97Å; E680-F682 HydrophobicContact CB-CG 4.39Å; E680-F682 HydrophobicContact CB-CZ 3.43Å; E680-F682 VanDerWaalsContact CB-CZ 3.43Å; E680-F682 HydrophobicContact CG-CE1 3.83Å; E680-F682 HydrophobicContact CG-CZ 3.68Å; E680-F682 PolarHBondContact O-N 2.72Å; E680-F682 VanDerWaalsContact O-N 3.1Å; F682-V684 PolarHBondContact O-N 3.48Å; F682-H720 HydrophobicContact CD2-CB 3.91Å; F682-H720 AromaticContact CD2-CD2 3.89Å; F682-H720 AromaticContact CD2-CG 3.69Å; F682-H720 HydrophobicContact CE2-CB 4.33Å; F682-H720 AromaticContact CE2-CD2 3.66Å; F682-H720 AromaticContact CE2-CG 3.95Å
683	V	91	Very high	89.5	Confident	18 Å²	18	67.3 Å²	67.3	11%	0.109	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-72.7	126	178.2	178.7	0	0	0	0	109.2	F670 L673 I679 E680	F670-V683 HydrophobicContact CB-CG1 4.47Å; F670-V683 HydrophobicContact CD1-CG1 4.08Å; L673-V683 HydrophobicContact CB-CG1 4.24Å; L673-V683 HydrophobicContact CD1-CG1 4.13Å; L673-V683 HydrophobicContact CD1-CG2 4.12Å; I679-V683 HydrophobicContact CG2-CB 3.99Å; I679-V683 HydrophobicContact CG2-CG1 4.07Å; E680-V683 HydrophobicContact CB-CG2 3.94Å; E680-V683 WeakPolarHBondContact O-CB 3.21Å; E680-V683 PolarHBondContact O-N 3.08Å
684	V	93.1	Very high	89.5	Confident	35 Å²	35	67.3 Å²	67.3	21%	0.212	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.6	-179.9	177.5	0	0	0	0	108.9	L671 F682 R686 I715 I721	L671-V684 HydrophobicContact CD1-CG1 4.49Å; L671-V684 VanDerWaalsContact CD1-O 3.23Å; L671-V684 WeakPolarHBondContact CD1-O 3.32Å; L671-V684 PolarHBondContact N-O 2.93Å; L671-V684 PolarHBondContact O-N 3.39Å; F682-V684 PolarHBondContact O-N 3.48Å; V684-R686 HydrophobicContact CG1-CG 4.19Å; V684-I715 HydrophobicContact CG1-CG2 4.45Å; V684-I721 HydrophobicContact CB-CD1 3.71Å; V684-I721 HydrophobicContact CG2-CD1 3.4Å; V684-I721 VanDerWaalsContact CG2-CD1 3.4Å
685	K	93.9	Very high	89.5	Confident	93 Å²	93	70.4 Å²	70.4	40%	0.404	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.6	170.6	-171.2	172.4	176.6	170.9	0	110.5	E668 V669 F670	E668-K685 WeakPolarHBondContact OE1-CE 3.31Å; E668-K685 IonicContact OE1-NZ 2.64Å; E668-K685 PolarHBondContact OE1-NZ 2.69Å; E668-K685 VanDerWaalsContact OE2-CE 3.23Å; E668-K685 WeakPolarHBondContact OE2-CE 3.29Å; E668-K685 IonicContact OE2-NZ 3.23Å; E668-K685 PolarHBondContact OE2-NZ 3.28Å; V669-K685 CarbonylContact O-C 3.55Å; V669-K685 WeakPolarHBondContact O-CA 3.43Å; F670-K685 HydrophobicContact CD1-CB 4.48Å; F670-K685 HydrophobicContact CD1-CG 4.47Å; F670-K685 HydrophobicContact CE1-CB 4.38Å; F670-K685 HydrophobicContact CE1-CD 3.82Å; F670-K685 HydrophobicContact CE1-CG 4.11Å; F670-K685 HydrophobicContact CZ-CD 3.76Å; F670-K685 HydrophobicContact CZ-CG 4.21Å
686	R	94.6	Very high	89.6	Confident	60 Å²	60	74.5 Å²	74.5	23%	0.226	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.7	177.2	-73.7	-70.5	178.7	-87.1	5.4	111.6	V669 L671 V684 L711 D712 S713 P714 I715	V669-R686 HydrophobicContact CB-CB 4.2Å; V669-R686 PolarHBondContact N-O 2.61Å; V669-R686 PolarHBondContact O-N 2.76Å; L671-R686 HydrophobicContact CD1-CB 4.06Å; L671-R686 HydrophobicContact CD1-CG 3.85Å; V684-R686 HydrophobicContact CG1-CG 4.19Å; R686-L711 HydrophobicContact CB-CD2 4.15Å; R686-L711 HydrophobicContact CG-CD1 4.49Å; R686-D712 WeakPolarHBondContact CD-OD1 3.38Å; R686-S713 VanDerWaalsContact CD-OG 3.32Å; R686-S713 WeakPolarHBondContact CD-OG 3.47Å; R686-S713 PolarHBondContact NE-O 3.03Å; R686-S713 PolarHBondContact NE-OG 3.2Å; R686-S713 VanDerWaalsContact NE-OG 3.09Å; R686-P714 PolarHBondContact NH2-O 3.38Å; R686-I715 HydrophobicContact CG-CG2 4Å
687	K	94.1	Very high	89.7	Confident	129 Å²	129	73.5 Å²	73.5	56%	0.561	36%	0.359	S	S	*	.			trans	-107	167.9	167.1	-59.8	-174.7	176.3	-172.1	0	109.8	D712	K687-D712 HydrophobicContact CB-CB 4.23Å; K687-D712 WeakPolarHBondContact CB-OD2 3.39Å; K687-D712 PolarHBondContact O-N 3.22Å
688	L	94.6	Very high	89.7	Confident	12 Å²	12	68 Å²	68	6%	0.063	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.6	176	-60.8	-177.1	0	0	0	111.5	P664 W667 V669 I691 M709 E710 L711	P664-L688 HydrophobicContact CB-CB 3.8Å; P664-L688 WeakPolarHBondContact CB-O 3.47Å; W667-L688 HydrophobicContact CB-CD1 3.73Å; W667-L688 HydrophobicContact CB-CG 4.23Å; W667-L688 HydrophobicContact CG-CD1 4.01Å; V669-L688 HydrophobicContact CG2-CD1 4.49Å; V669-L688 HydrophobicContact CG2-CD2 3.52Å; V669-L688 HydrophobicContact CG2-CG 3.87Å; L688-I691 HydrophobicContact CD1-CD1 3.93Å; L688-I691 HydrophobicContact CD1-CG1 3.77Å; L688-M709 HydrophobicContact CD1-CB 4.16Å; L688-M709 HydrophobicContact CD1-CE 3.84Å; L688-M709 HydrophobicContact CD1-CG 4Å; L688-M709 HydrophobicContact CD1-SD 3.55Å; L688-M709 VanDerWaalsContact CD1-SD 3.55Å; L688-M709 HydrophobicContact CD2-CB 3.78Å; L688-M709 HydrophobicContact CD2-CG 4.5Å; L688-M709 HydrophobicContact CD2-SD 4.31Å; L688-E710 CarbonylContact C-O 3.57Å; L688-E710 WeakPolarHBondContact CA-O 3.48Å; L688-L711 HydrophobicContact CD2-CD2 3.92Å
689	K	93.4	Very high	89.6	Confident	134 Å²	134	66.8 Å²	66.8	58%	0.583	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	-43.4	171.1	175.9	175.1	164	-162.2	0	111.3	E710 L711	K689-E710 HydrophobicContact CB-CB 4.45Å; K689-E710 HydrophobicContact CD-CG 4.39Å; K689-E710 WeakPolarHBondContact CD-OE1 3.47Å; K689-E710 VanDerWaalsContact CE-OE1 3.32Å; K689-E710 WeakPolarHBondContact CE-OE1 3.38Å; K689-E710 PolarHBondContact N-O 3.44Å; K689-E710 IonicContact NZ-OE1 2.64Å; K689-E710 PolarHBondContact NZ-OE1 3.13Å; K689-L711 WeakPolarHBondContact CB-O 3.18Å
690	R	94.1	Very high	89.3	Confident	110 Å²	110	67.5 Å²	67.5	42%	0.415	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.2	170.9	60.3	171.6	166.7	160.4	2.7	112	E710	R690-E710 HydrophobicContact CG-CB 3.82Å; R690-E710 IonicContact CZ-OE2 2.61Å; R690-E710 VanDerWaalsContact CZ-OE2 3.25Å; R690-E710 IonicContact NE-OE2 2.66Å; R690-E710 PolarHBondContact NE-OE2 3.06Å; R690-E710 IonicContact NH2-OE2 2.72Å; R690-E710 PolarHBondContact NH2-OE2 2.75Å; R690-E710 PolarHBondContact O-N 2.91Å
691	I	94.6	Very high	89.1	Confident	31 Å²	31	67.7 Å²	67.7	16%	0.159	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.8	171.3	-60.7	169.2	0	0	0	107.2	V653 P664 L688 L708 M709	V653-I691 HydrophobicContact CB-CG2 3.87Å; V653-I691 HydrophobicContact CG1-CD1 4.38Å; V653-I691 HydrophobicContact CG1-CG2 3.84Å; V653-I691 HydrophobicContact CG2-CG2 3.94Å; P664-I691 HydrophobicContact CB-CG1 4.42Å; P664-I691 HydrophobicContact CG-CD1 4.39Å; P664-I691 HydrophobicContact CG-CG1 4.19Å; L688-I691 HydrophobicContact CD1-CD1 3.93Å; L688-I691 HydrophobicContact CD1-CG1 3.77Å; I691-L708 WeakPolarHBondContact CA-O 3.22Å; I691-M709 HydrophobicContact CD1-CE 4.25Å; I691-M709 HydrophobicContact CG1-CE 4.39Å; I691-M709 HydrophobicContact CG1-CG 4.34Å
692	I	94.4	Very high	89.3	Confident	28 Å²	28	64.3 Å²	64.3	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	96.4	177	-47.7	176.3	0	0	0	107.5	W645 A707 L708 W841 N845	W645-I692 HydrophobicContact CH2-CD1 3.84Å; W645-I692 HydrophobicContact CZ3-CD1 3.99Å; I692-A707 WeakPolarHBondContact O-CA 3.29Å; I692-L708 HydrophobicContact CB-CB 4.3Å; I692-L708 PolarHBondContact N-O 2.78Å; I692-L708 PolarHBondContact O-N 2.64Å; I692-W841 HydrophobicContact CG2-CZ2 4.09Å; I692-N845 HydrophobicContact CD1-CB 4.31Å
693	S	92.3	Very high	89.6	Confident	42 Å²	42	63.8 Å²	63.8	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.2	170.6	-170	0	0	0	0	110	A650	A650-S693 WeakPolarHBondContact CB-OG 3.21Å
694	N	92	Very high	89.6	Confident	9 Å²	9	63.5 Å²	63.5	5%	0.048	32%	0.321	C	S	.	.			trans	-62.4	126.7	176.4	-166.1	-69.4	0	0	0	110.5	N696 Y697 N704 I706 W841	N694-N696 PolarHBondContact O-N 3.23Å; N694-N696 VanDerWaalsContact O-N 3.11Å; N694-N696 WeakPolarHBondContact OD1-CB 3.36Å; N694-N696 PolarHBondContact OD1-N 3.16Å; N694-Y697 VanDerWaalsContact O-CB 3.27Å; N694-Y697 WeakPolarHBondContact O-CB 3.25Å; N694-Y697 PolarHBondContact O-N 3.41Å; N694-N704 HydrophobicContact CB-CB 4.43Å; N694-I706 HydrophobicContact CB-CG2 3.99Å; N694-I706 WeakPolarHBondContact CB-O 3.01Å; N694-I706 PolarHBondContact N-O 3.04Å; N694-I706 VanDerWaalsContact N-O 3.09Å; N694-W841 HydrophobicContact CB-CH2 4.28Å; N694-W841 HydrophobicContact CB-CZ2 4.15Å
695	P	88.2	Confident	89.6	Confident	106 Å²	106	61.9 Å²	61.9	69%	0.688	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.8	-175.4	26.9	-35.9	0	0	0	113.6
696	N	89.8	Confident	89.7	Confident	111 Å²	111	57.4 Å²	57.4	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	9.5	176.9	-58.8	-60.2	0	0	0	112.9	N694 N698 N704	N694-N696 PolarHBondContact O-N 3.23Å; N694-N696 VanDerWaalsContact O-N 3.11Å; N694-N696 WeakPolarHBondContact OD1-CB 3.36Å; N694-N696 PolarHBondContact OD1-N 3.16Å; N696-N698 PolarHBondContact O-N 2.84Å; N696-N704 HydrophobicContact CB-CB 4.42Å; N696-N704 PolarHBondContact O-ND2 2.77Å
697	Y	88.7	Confident	89.7	Confident	20 Å²	20	54.6 Å²	54.6	8%	0.078	28%	0.281	C	S	.	.			trans	-64.7	127.3	178.6	176.8	-127.7	0	0	0	111.5	A650 H651 Q654 N694 N703 D705	A650-Y697 HydrophobicContact CB-CD1 3.35Å; A650-Y697 HydrophobicContact CB-CD2 3.86Å; A650-Y697 HydrophobicContact CB-CE1 3.86Å; A650-Y697 HydrophobicContact CB-CE2 4.3Å; A650-Y697 HydrophobicContact CB-CG 3.4Å; A650-Y697 VanDerWaalsContact CB-CG 3.4Å; H651-Y697 HydrophobicContact CB-CE1 4.27Å; H651-Y697 VanDerWaalsContact CB-OH 3.27Å; H651-Y697 WeakPolarHBondContact CB-OH 3.39Å; Q654-Y697 VanDerWaalsContact CD-CD1 3.45Å; Q654-Y697 HydrophobicContact CG-CD1 3.89Å; Q654-Y697 HydrophobicContact CG-CE1 3.76Å; N694-Y697 VanDerWaalsContact O-CB 3.27Å; N694-Y697 WeakPolarHBondContact O-CB 3.25Å; N694-Y697 PolarHBondContact O-N 3.41Å; Y697-N703 WeakPolarHBondContact CA-O 3.34Å; Y697-N703 WeakPolarHBondContact CD2-O 3.38Å; Y697-D705 HydrophobicContact CD2-CB 3.96Å; Y697-D705 HydrophobicContact CE2-CB 3.63Å
698	N	83.6	Confident	89.9	Confident	62 Å²	62	48.4 Å²	48.4	33%	0.332	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-115.4	111.7	-178.4	-177.1	-28.5	0	0	0	111	N696 N700 T701 F702 N703	N696-N698 PolarHBondContact O-N 2.84Å; N698-N700 VanDerWaalsContact C-N 3.26Å; N698-N700 PolarHBondContact O-N 2.78Å; N698-N700 PolarHBondContact OD1-N 3.09Å; N698-T701 WeakPolarHBondContact CB-OG1 3.29Å; N698-T701 VanDerWaalsContact CG-OG1 3.26Å; N698-T701 PolarHBondContact O-N 3.05Å; N698-F702 VanDerWaalsContact O-CA 3.28Å; N698-F702 WeakPolarHBondContact O-CA 3.36Å; N698-F702 PolarHBondContact O-N 2.99Å; N698-N703 PolarHBondContact N-O 2.93Å
699	P	79.8	Confident	89.9	Confident	62 Å²	62	47.9 Å²	47.9	40%	0.403	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.3	-174.8	27.3	-35	0	0	0	115.1
700	N	76.1	Confident	90.1	Very high	130 Å²	130	42.4 Å²	42.4	70%	0.695	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-27.9	178.9	-60.6	-66.7	0	0	0	112.6	N698	N698-N700 VanDerWaalsContact C-N 3.26Å; N698-N700 PolarHBondContact O-N 2.78Å; N698-N700 PolarHBondContact OD1-N 3.09Å
701	T	79.3	Confident	90.2	Very high	57 Å²	57	37.3 Å²	37.3	35%	0.35	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-4	-176.9	59.1	0	0	0	0	113.2	N698 N703 M782	N698-T701 WeakPolarHBondContact CB-OG1 3.29Å; N698-T701 VanDerWaalsContact CG-OG1 3.26Å; N698-T701 PolarHBondContact O-N 3.05Å; T701-N703 PolarHBondContact O-N 2.86Å; T701-N703 VanDerWaalsContact O-N 3.07Å; T701-N703 WeakPolarHBondContact OG1-CB 3.49Å; T701-M782 VanDerWaalsContact O-CE 3.24Å; T701-M782 WeakPolarHBondContact O-CE 3.46Å
702	F	85.7	Confident	90.2	Very high	52 Å²	52	39.6 Å²	39.6	23%	0.228	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	17.9	-169.9	-65.1	-95.3	0	0	0	114.1	H651 N698 D705 M782 W819	H651-F702 HydrophobicContact CB-CD1 4.41Å; H651-F702 HydrophobicContact CB-CE1 4.16Å; N698-F702 VanDerWaalsContact O-CA 3.28Å; N698-F702 WeakPolarHBondContact O-CA 3.36Å; N698-F702 PolarHBondContact O-N 2.99Å; F702-D705 VanDerWaalsContact O-CB 3.23Å; F702-D705 WeakPolarHBondContact O-CB 3.43Å; F702-D705 PolarHBondContact O-N 2.85Å; F702-M782 HydrophobicContact CB-CE 4.03Å; F702-M782 WeakPolarHBondContact O-CE 3.41Å; F702-W819 VanDerWaalsContact CB-CD1 3.42Å; F702-W819 HydrophobicContact CB-CG 4.15Å; F702-W819 HydrophobicContact CD1-CB 4.21Å; F702-W819 HydrophobicContact CD1-CG 4.47Å; F702-W819 HydrophobicContact CD2-CB 4.37Å; F702-W819 HydrophobicContact CD2-CD2 4.45Å; F702-W819 HydrophobicContact CD2-CG 4.09Å; F702-W819 HydrophobicContact CE1-CB 4.43Å; F702-W819 HydrophobicContact CG-CB 4.18Å; F702-W819 AromaticContact CG-CD1 3.74Å; F702-W819 AromaticContact CG-CG 3.97Å; F702-W819 HydrophobicContact CG-CG 3.97Å
703	N	88.2	Confident	90.1	Very high	39 Å²	39	40.2 Å²	40.2	21%	0.209	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-74.4	135.6	-176.6	-168.6	34.5	0	0	0	111.2	Y697 N698 T701 T779 M782	Y697-N703 WeakPolarHBondContact CA-O 3.34Å; Y697-N703 WeakPolarHBondContact CD2-O 3.38Å; N698-N703 PolarHBondContact N-O 2.93Å; T701-N703 PolarHBondContact O-N 2.86Å; T701-N703 VanDerWaalsContact O-N 3.07Å; T701-N703 WeakPolarHBondContact OG1-CB 3.49Å; N703-T779 HydrophobicContact CB-CG2 4.06Å; N703-T779 PolarHBondContact OD1-OG1 2.9Å; N703-M782 HydrophobicContact CB-CE 4.45Å
704	N	90.8	Very high	90	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	37.7	-170	-40.8	-84.3	0	0	0	114.3	N694 N696 I706 K781 F838	N694-N704 HydrophobicContact CB-CB 4.43Å; N696-N704 HydrophobicContact CB-CB 4.42Å; N696-N704 PolarHBondContact O-ND2 2.77Å; N704-I706 VanDerWaalsContact C-N 3.27Å; N704-I706 PolarHBondContact O-N 2.8Å; N704-K781 VanDerWaalsContact OD1-CD 3.26Å; N704-K781 WeakPolarHBondContact OD1-CD 3.29Å; N704-K781 PolarHBondContact OD1-NZ 2.81Å; N704-F838 HydrophobicContact CB-CE1 3.85Å; N704-F838 HydrophobicContact CB-CZ 3.89Å; N704-F838 WeakPolarHBondContact OD1-CE1 3.4Å
705	D	93.5	Very high	90	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.			trans	-73.9	74.8	178.1	-171.2	23.8	0	0	0	112.6	A650 H651 Y697 F702 S818 T833	A650-D705 VanDerWaalsContact CA-OD1 3.3Å; A650-D705 WeakPolarHBondContact CA-OD1 2.92Å; A650-D705 WeakPolarHBondContact CB-OD1 3.45Å; A650-D705 PolarHBondContact N-OD1 2.75Å; H651-D705 IonicContact CE1-OD2 2.86Å; H651-D705 IonicContact CG-OD1 3.94Å; H651-D705 IonicContact CG-OD2 3.37Å; H651-D705 PolarHBondContact N-OD1 2.95Å; H651-D705 IonicContact ND1-OD1 2.79Å; H651-D705 PolarHBondContact ND1-OD1 2.85Å; H651-D705 IonicContact ND1-OD2 3.63Å; H651-D705 PolarHBondContact ND1-OD2 2.88Å; Y697-D705 HydrophobicContact CD2-CB 3.96Å; Y697-D705 HydrophobicContact CE2-CB 3.63Å; F702-D705 VanDerWaalsContact O-CB 3.23Å; F702-D705 WeakPolarHBondContact O-CB 3.43Å; F702-D705 PolarHBondContact O-N 2.85Å; D705-S818 WeakPolarHBondContact CB-OG 3.07Å; D705-S818 WeakPolarHBondContact OD2-CA 3.42Å; D705-S818 WeakPolarHBondContact OD2-CB 3.24Å; D705-S818 PolarHBondContact OD2-OG 2.65Å; D705-T833 PolarHBondContact O-OG1 3.15Å
706	I	95.1	Very high	90	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.			trans	-146.3	140.6	176.5	-165.8	170.2	0	0	0	111.4	V647 N694 N704 T833 F838 W841 I842	V647-I706 HydrophobicContact CG1-CD1 3.94Å; V647-I706 HydrophobicContact CG1-CG1 3.9Å; N694-I706 HydrophobicContact CB-CG2 3.99Å; N694-I706 WeakPolarHBondContact CB-O 3.01Å; N694-I706 PolarHBondContact N-O 3.04Å; N694-I706 VanDerWaalsContact N-O 3.09Å; N704-I706 VanDerWaalsContact C-N 3.27Å; N704-I706 PolarHBondContact O-N 2.8Å; I706-T833 HydrophobicContact CB-CG2 4.26Å; I706-F838 HydrophobicContact CD1-CB 3.95Å; I706-F838 HydrophobicContact CD1-CD2 4.29Å; I706-F838 HydrophobicContact CD1-CG 4.18Å; I706-F838 HydrophobicContact CG2-CB 4.43Å; I706-F838 HydrophobicContact CG2-CD1 3.69Å; I706-F838 HydrophobicContact CG2-CD2 4.17Å; I706-F838 HydrophobicContact CG2-CE1 3.97Å; I706-F838 HydrophobicContact CG2-CE2 4.45Å; I706-F838 HydrophobicContact CG2-CG 3.81Å; I706-F838 HydrophobicContact CG2-CZ 4.36Å; I706-W841 HydrophobicContact CG1-CZ3 4.29Å; I706-W841 HydrophobicContact CG2-CE3 4.22Å; I706-W841 HydrophobicContact CG2-CH2 4.47Å; I706-W841 HydrophobicContact CG2-CZ3 3.83Å; I706-I842 HydrophobicContact CD1-CD1 4.15Å
707	A	96	Very high	89.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.7	175.7	0	0	0	0	0	111.5	T648 V653 I692	T648-A707 HydrophobicContact CG2-CB 4.22Å; T648-A707 PolarHBondContact N-O 2.82Å; T648-A707 PolarHBondContact O-N 3.39Å; V653-A707 HydrophobicContact CG2-CB 3.65Å; I692-A707 WeakPolarHBondContact O-CA 3.29Å
708	L	96.9	Very high	89.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.2	175.2	-65.3	163.5	0	0	0	110	I641 W645 L646 V647 I691 I692 W841 I842 N845 T846	I641-L708 HydrophobicContact CD1-CD2 4.2Å; W645-L708 HydrophobicContact CE3-CB 4.28Å; W645-L708 HydrophobicContact CZ3-CB 4.15Å; L646-L708 WeakPolarHBondContact O-CA 3.36Å; V647-L708 HydrophobicContact CG2-CD2 3.79Å; I691-L708 WeakPolarHBondContact CA-O 3.22Å; I692-L708 HydrophobicContact CB-CB 4.3Å; I692-L708 PolarHBondContact N-O 2.78Å; I692-L708 PolarHBondContact O-N 2.64Å; L708-W841 HydrophobicContact CB-CH2 4.48Å; L708-W841 HydrophobicContact CD1-CE3 4.15Å; L708-W841 HydrophobicContact CD1-CH2 3.69Å; L708-W841 HydrophobicContact CD1-CZ2 4.21Å; L708-W841 HydrophobicContact CD1-CZ3 3.65Å; L708-W841 HydrophobicContact CG-CH2 3.77Å; L708-W841 HydrophobicContact CG-CZ3 3.7Å; L708-I842 HydrophobicContact CD2-CG1 4.37Å; L708-I842 HydrophobicContact CD2-CG2 4.27Å; L708-N845 HydrophobicContact CD1-CB 3.6Å; L708-T846 HydrophobicContact CD1-CG2 3.76Å; L708-T846 HydrophobicContact CD2-CG2 3.85Å; L708-T846 HydrophobicContact CG-CG2 4.32Å
709	M	96.3	Very high	89.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.3	175.5	-63.1	-175.6	156.8	0	0	109.8	L627 W645 L646 T648 V653 W667 L688 I691	L627-M709 HydrophobicContact CD1-CE 3.75Å; L627-M709 HydrophobicContact CD1-SD 3.82Å; L627-M709 HydrophobicContact CD2-SD 3.78Å; L627-M709 HydrophobicContact CG-SD 4.48Å; W645-M709 WeakPolarHBondContact CA-O 3.39Å; L646-M709 HydrophobicContact CB-CB 4.28Å; L646-M709 PolarHBondContact N-O 3.46Å; L646-M709 PolarHBondContact O-N 3.28Å; T648-M709 HydrophobicContact CG2-CE 3.92Å; T648-M709 HydrophobicContact CG2-CG 4.21Å; T648-M709 HydrophobicContact CG2-SD 4.06Å; V653-M709 HydrophobicContact CG1-CE 3.34Å; W667-M709 HydrophobicContact CD2-CE 4.48Å; L688-M709 HydrophobicContact CD1-CB 4.16Å; L688-M709 HydrophobicContact CD1-CE 3.84Å; L688-M709 HydrophobicContact CD1-CG 4Å; L688-M709 HydrophobicContact CD1-SD 3.55Å; L688-M709 VanDerWaalsContact CD1-SD 3.55Å; L688-M709 HydrophobicContact CD2-CB 3.78Å; L688-M709 HydrophobicContact CD2-CG 4.5Å; L688-M709 HydrophobicContact CD2-SD 4.31Å; I691-M709 HydrophobicContact CD1-CE 4.25Å; I691-M709 HydrophobicContact CG1-CE 4.39Å; I691-M709 HydrophobicContact CG1-CG 4.34Å
710	E	96.9	Very high	89.6	Confident	20 Å²	20	44.8 Å²	44.8	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.8	173.5	-162.8	-179.3	155.5	0	0	109.2	N644 W645 L688 K689 R690	N644-E710 WeakPolarHBondContact O-CA 3.19Å; W645-E710 HydrophobicContact CD2-CB 4.35Å; W645-E710 HydrophobicContact CD2-CG 4.26Å; W645-E710 HydrophobicContact CE3-CB 3.87Å; W645-E710 HydrophobicContact CE3-CG 4.27Å; W645-E710 HydrophobicContact CH2-CB 3.88Å; W645-E710 HydrophobicContact CH2-CG 4.08Å; W645-E710 HydrophobicContact CZ2-CB 4.33Å; W645-E710 HydrophobicContact CZ2-CG 4.02Å; W645-E710 HydrophobicContact CZ3-CB 3.62Å; W645-E710 HydrophobicContact CZ3-CG 4.2Å; L688-E710 CarbonylContact C-O 3.57Å; L688-E710 WeakPolarHBondContact CA-O 3.48Å; K689-E710 HydrophobicContact CB-CB 4.45Å; K689-E710 HydrophobicContact CD-CG 4.39Å; K689-E710 WeakPolarHBondContact CD-OE1 3.47Å; K689-E710 VanDerWaalsContact CE-OE1 3.32Å; K689-E710 WeakPolarHBondContact CE-OE1 3.38Å; K689-E710 PolarHBondContact N-O 3.44Å; K689-E710 IonicContact NZ-OE1 2.64Å; K689-E710 PolarHBondContact NZ-OE1 3.13Å; R690-E710 HydrophobicContact CG-CB 3.82Å; R690-E710 IonicContact CZ-OE2 2.61Å; R690-E710 VanDerWaalsContact CZ-OE2 3.25Å; R690-E710 IonicContact NE-OE2 2.66Å; R690-E710 PolarHBondContact NE-OE2 3.06Å; R690-E710 IonicContact NH2-OE2 2.72Å; R690-E710 PolarHBondContact NH2-OE2 2.75Å; R690-E710 PolarHBondContact O-N 2.91Å
711	L	96	Very high	90.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	155.9	177	-57.8	-179.8	0	0	0	111.3	N644 L646 V669 L671 R686 L688 K689 S713 I715	N644-L711 PolarHBondContact O-N 3.48Å; L646-L711 HydrophobicContact CD1-CD2 3.96Å; L646-L711 HydrophobicContact CG-CD2 4.13Å; V669-L711 HydrophobicContact CG1-CD2 4.17Å; V669-L711 HydrophobicContact CG2-CD2 4.33Å; L671-L711 HydrophobicContact CD2-CD1 4.48Å; R686-L711 HydrophobicContact CB-CD2 4.15Å; R686-L711 HydrophobicContact CG-CD1 4.49Å; L688-L711 HydrophobicContact CD2-CD2 3.92Å; K689-L711 WeakPolarHBondContact CB-O 3.18Å; L711-S713 PolarHBondContact O-N 2.59Å; L711-I715 HydrophobicContact CD1-CG2 3.6Å
712	D	94.3	Very high	90.8	Very high	79 Å²	79	37.6 Å²	37.6	42%	0.422	19%	0.192	S	C	.	.	S	Bend	trans	-66.7	-25	174.9	68.4	-8	0	0	0	113.6	R686 K687	R686-D712 WeakPolarHBondContact CD-OD1 3.38Å; K687-D712 HydrophobicContact CB-CB 4.23Å; K687-D712 WeakPolarHBondContact CB-OD2 3.39Å; K687-D712 PolarHBondContact O-N 3.22Å
713	S	92.8	Very high	91.1	Very high	42 Å²	42	35.4 Å²	35.4	29%	0.294	18%	0.183	S	C	.	.	S	Bend	trans	-160	146.6	-175.3	55.2	0	0	0	0	110.9	R686 L711	R686-S713 VanDerWaalsContact CD-OG 3.32Å; R686-S713 WeakPolarHBondContact CD-OG 3.47Å; R686-S713 PolarHBondContact NE-O 3.03Å; R686-S713 PolarHBondContact NE-OG 3.2Å; R686-S713 VanDerWaalsContact NE-OG 3.09Å; L711-S713 PolarHBondContact O-N 2.59Å
714	P	91.1	Very high	91.3	Very high	70 Å²	70	33.6 Å²	33.6	46%	0.455	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-60.1	142.1	-178.8	21.4	-31.9	0	0	0	112.2	E643 N644 R686	E643-P714 HydrophobicContact CB-CB 4.14Å; E643-P714 CarbonylContact O-C 3.54Å; E643-P714 VanDerWaalsContact O-CA 3.3Å; E643-P714 WeakPolarHBondContact O-CA 3.29Å; N644-P714 VanDerWaalsContact OD1-CA 3.32Å; N644-P714 WeakPolarHBondContact OD1-CA 3.25Å; N644-P714 WeakPolarHBondContact OD1-CB 3.31Å; R686-P714 PolarHBondContact NH2-O 3.38Å
715	I	91.6	Very high	91.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-86.6	148.3	170.7	65.9	-175.7	0	0	0	109.8	I640 E643 L671 V684 R686 L711 Y717 I721	I640-I715 HydrophobicContact CD1-CD1 4.01Å; I640-I715 HydrophobicContact CG2-CD1 3.79Å; E643-I715 WeakPolarHBondContact O-CG1 3.38Å; E643-I715 PolarHBondContact O-N 3.28Å; L671-I715 HydrophobicContact CD1-CG2 4.28Å; L671-I715 HydrophobicContact CD2-CD1 3.56Å; L671-I715 HydrophobicContact CD2-CG2 4.02Å; V684-I715 HydrophobicContact CG1-CG2 4.45Å; R686-I715 HydrophobicContact CG-CG2 4Å; L711-I715 HydrophobicContact CD1-CG2 3.6Å; I715-Y717 HydrophobicContact CD1-CE1 4.37Å; I715-Y717 HydrophobicContact CG1-CE1 4.33Å; I715-I721 HydrophobicContact CD1-CG2 3.82Å; I715-I721 HydrophobicContact CG1-CG2 4.45Å
716	K	87.1	Confident	91.1	Very high	181 Å²	181	34.4 Å²	34.4	79%	0.787	18%	0.178	S	C	*	.	P	Polyproline II helix	trans	-96.1	129	170.2	-65.8	-175.8	178.2	-176.2	0	108.2
717	Y	87.2	Confident	90.8	Very high	79 Å²	79	34.4 Å²	34.4	31%	0.31	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-65.9	145.3	176.2	-56.6	-41.2	0	0	0	111.7	E643 I715 I721 P723	E643-Y717 HydrophobicContact CG-CE1 4.12Å; E643-Y717 HydrophobicContact CG-CE2 3.93Å; E643-Y717 WeakPolarHBondContact CG-OH 3.46Å; E643-Y717 PolarHBondContact N-OH 3.46Å; E643-Y717 VanDerWaalsContact N-OH 3.07Å; I715-Y717 HydrophobicContact CD1-CE1 4.37Å; I715-Y717 HydrophobicContact CG1-CE1 4.33Å; Y717-I721 CarbonylContact C-O 3.55Å; Y717-I721 WeakPolarHBondContact CA-O 3.35Å; Y717-I721 WeakPolarHBondContact CB-O 3.46Å; Y717-P723 HydrophobicContact CE1-CG 4.06Å; Y717-P723 HydrophobicContact CE2-CG 4.28Å
718	S	83.1	Confident	90.1	Very high	40 Å²	40	37.8 Å²	37.8	28%	0.28	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-146.3	176.9	-178.5	78.4	0	0	0	0	109.3	H720 I721 Q722	S718-H720 PolarHBondContact O-N 3.15Å; S718-H720 PolarHBondContact OG-N 3.46Å; S718-I721 PolarHBondContact N-O 2.61Å; S718-I721 CarbonylContact O-C 3.52Å; S718-I721 PolarHBondContact O-N 3.07Å; S718-I721 VanDerWaalsContact O-N 3.17Å; S718-I721 PolarHBondContact OG-N 3.45Å; S718-Q722 PolarHBondContact O-NE2 3.2Å
719	D	79.9	Confident	89.3	Confident	94 Å²	94	40.1 Å²	40.1	50%	0.503	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.7	176.5	-59.8	-47	0	0	0	113.6	K603	K603-D719 WeakPolarHBondContact CD-OD1 3.3Å; K603-D719 WeakPolarHBondContact CE-OD1 3.4Å; K603-D719 IonicContact NZ-OD1 3.86Å; K603-D719 PolarHBondContact NZ-OD1 2.96Å
720	H	84.1	Confident	88.5	Confident	42 Å²	42	44.7 Å²	44.7	19%	0.194	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-3.6	179.3	-57.3	81.7	0	0	0	113.2	Q618 P622 G672 F682 S718	Q618-H720 PolarHBondContact NE2-NE2 2.94Å; P622-H720 WeakPolarHBondContact CA-O 3.32Å; G672-H720 WeakPolarHBondContact CA-O 3.32Å; F682-H720 HydrophobicContact CD2-CB 3.91Å; F682-H720 AromaticContact CD2-CD2 3.89Å; F682-H720 AromaticContact CD2-CG 3.69Å; F682-H720 HydrophobicContact CE2-CB 4.33Å; F682-H720 AromaticContact CE2-CD2 3.66Å; F682-H720 AromaticContact CE2-CG 3.95Å; S718-H720 PolarHBondContact O-N 3.15Å; S718-H720 PolarHBondContact OG-N 3.46Å
721	I	89.9	Confident	87.8	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-138.9	103.4	-174.8	-58.7	-179.8	0	0	0	108.3	P622 I640 L671 V684 I715 Y717 S718	P622-I721 VanDerWaalsContact O-CA 3.3Å; P622-I721 WeakPolarHBondContact O-CA 3.33Å; I640-I721 HydrophobicContact CD1-CG2 3.75Å; L671-I721 HydrophobicContact CB-CD1 4.08Å; L671-I721 HydrophobicContact CB-CG1 4.42Å; V684-I721 HydrophobicContact CB-CD1 3.71Å; V684-I721 HydrophobicContact CG2-CD1 3.4Å; V684-I721 VanDerWaalsContact CG2-CD1 3.4Å; I715-I721 HydrophobicContact CD1-CG2 3.82Å; I715-I721 HydrophobicContact CG1-CG2 4.45Å; Y717-I721 CarbonylContact C-O 3.55Å; Y717-I721 WeakPolarHBondContact CA-O 3.35Å; Y717-I721 WeakPolarHBondContact CB-O 3.46Å; S718-I721 PolarHBondContact N-O 2.61Å; S718-I721 CarbonylContact O-C 3.52Å; S718-I721 PolarHBondContact O-N 3.07Å; S718-I721 VanDerWaalsContact O-N 3.17Å; S718-I721 PolarHBondContact OG-N 3.45Å
722	Q	89.9	Confident	87.1	Confident	34 Å²	34	53.6 Å²	53.6	16%	0.159	28%	0.278	C	S	.	.			trans	-141.1	154.5	178.9	-65.2	-65.6	-28.7	0	0	109.3	P622 W623 S718	P622-Q722 CarbonylContact C-O 3.52Å; P622-Q722 HydrophobicContact CB-CB 4.05Å; P622-Q722 HydrophobicContact CB-CG 4.16Å; P622-Q722 HydrophobicContact CG-CB 3.89Å; P622-Q722 HydrophobicContact CG-CG 4.1Å; P622-Q722 PolarHBondContact O-N 3.25Å; W623-Q722 WeakPolarHBondContact CA-O 3.21Å; W623-Q722 VanDerWaalsContact CB-O 3.25Å; W623-Q722 WeakPolarHBondContact CB-O 3.47Å; W623-Q722 PolarHBondContact N-O 3.33Å; S718-Q722 PolarHBondContact O-NE2 3.2Å
723	P	92.3	Very high	86.5	Confident	6 Å²	6	51 Å²	51	4%	0.039	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-78.5	147.7	173.6	30.8	-28.3	0	0	0	111.3	C599 G600 I640 Y717	C599-P723 CarbonylContact C-O 3.48Å; C599-P723 VanDerWaalsContact CA-O 3.27Å; C599-P723 WeakPolarHBondContact CA-O 3.41Å; C599-P723 HydrophobicContact CB-CB 4.33Å; C599-P723 HydrophobicContact CB-CG 3.97Å; C599-P723 WeakPolarHBondContact CB-O 3.17Å; G600-P723 PolarHBondContact N-O 3.4Å; I640-P723 HydrophobicContact CG2-CB 4.14Å; I640-P723 CarbonylContact O-C 3.55Å; I640-P723 VanDerWaalsContact O-CA 3.29Å; I640-P723 WeakPolarHBondContact O-CA 3.41Å; Y717-P723 HydrophobicContact CE1-CG 4.06Å; Y717-P723 HydrophobicContact CE2-CG 4.28Å
724	I	92.9	Very high	85.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-82.8	147.7	164.5	-165.5	166	0	0	0	109.4	W623 I640 I641 N804 M811 L813	W623-I724 HydrophobicContact CB-CB 3.82Å; W623-I724 HydrophobicContact CB-CG2 4.37Å; W623-I724 HydrophobicContact CD2-CB 3.91Å; W623-I724 HydrophobicContact CD2-CD1 4.34Å; W623-I724 HydrophobicContact CD2-CG1 4.21Å; W623-I724 HydrophobicContact CE3-CB 4.38Å; W623-I724 HydrophobicContact CG-CB 3.63Å; W623-I724 HydrophobicContact CG-CD1 4.28Å; W623-I724 HydrophobicContact CG-CG1 4.28Å; W623-I724 HydrophobicContact CG-CG2 4.47Å; I640-I724 WeakPolarHBondContact O-CG2 3.21Å; I640-I724 PolarHBondContact O-N 2.84Å; I641-I724 HydrophobicContact CG2-CG2 4.44Å; I724-N804 HydrophobicContact CD1-CB 4.5Å; I724-N804 WeakPolarHBondContact CD1-OD1 3.22Å; I724-M811 WeakPolarHBondContact CG1-O 3.37Å; I724-L813 HydrophobicContact CD1-CB 3.86Å; I724-L813 HydrophobicContact CD1-CD1 4.17Å; I724-L813 HydrophobicContact CG1-CB 4.13Å; I724-L813 HydrophobicContact CG2-CB 3.81Å; I724-L813 HydrophobicContact CG2-CD1 4.43Å; I724-L813 HydrophobicContact CG2-CD2 4.19Å; I724-L813 HydrophobicContact CG2-CG 4.37Å
725	C	90.1	Very high	85.5	Confident	7 Å²	7	52 Å²	52	5%	0.047	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-75.5	143.1	176.4	-63	0	0	0	0	110.9	C599 M811 L812 L813	C599-C725 HydrophobicContact CB-CB 4.01Å; C599-C725 WeakPolarHBondContact CB-SG 3.38Å; C599-C725 PolarHBondContact O-SG 3.45Å; C599-C725 VanDerWaalsContact O-SG 3.37Å; C599-C725 WeakPolarHBondContact SG-CA 3.17Å; C599-C725 WeakPolarHBondContact SG-CB 3.29Å; C599-C725 CovalentContact SG-SG 2.04Å; C599-C725 PolarHBondContact SG-SG 3.02Å; C725-M811 PolarHBondContact N-O 3.11Å; C725-L812 HydrophobicContact CB-CD2 3.56Å; C725-L812 WeakPolarHBondContact O-CA 3.38Å; C725-L813 PolarHBondContact O-N 2.95Å
726	L	90.4	Very high	84.8	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.11	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-94.2	130.5	174.3	-72.9	174.3	0	0	0	110.2	I641 L813 V835 I842 V848	I641-L726 HydrophobicContact CB-CD1 4.23Å; I641-L726 HydrophobicContact CB-CG 4.45Å; I641-L726 HydrophobicContact CD1-CD1 4.2Å; I641-L726 HydrophobicContact CG2-CD1 4.2Å; I641-L726 HydrophobicContact CG2-CD2 3.87Å; I641-L726 HydrophobicContact CG2-CG 4.05Å; L726-L813 HydrophobicContact CD2-CB 4.38Å; L726-L813 HydrophobicContact CD2-CD2 3.97Å; L726-V835 HydrophobicContact CD2-CG1 3.83Å; L726-I842 HydrophobicContact CD1-CG2 3.79Å; L726-I842 HydrophobicContact CD2-CD1 4.33Å; L726-V848 HydrophobicContact CD1-CG1 4.21Å
727	P	88.6	Confident	84.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-64.5	155.6	178.4	28.6	-36.1	0	0	0	111.7	Y731 L813 V835 R839	P727-Y731 HydrophobicContact CB-CD1 3.72Å; P727-Y731 HydrophobicContact CB-CE1 4.47Å; P727-Y731 HydrophobicContact CB-CG 3.84Å; P727-L813 WeakPolarHBondContact CD-O 3.42Å; P727-L813 WeakPolarHBondContact CG-O 3.44Å; P727-V835 HydrophobicContact CG-CG1 4.25Å; P727-R839 WeakPolarHBondContact O-CD 3.4Å; P727-R839 WeakPolarHBondContact O-CG 3.33Å; P727-R839 PolarHBondContact O-NE 2.99Å
728	N	80.6	Confident	84.3	Confident	70 Å²	70	47.4 Å²	47.4	37%	0.374	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-64.1	159.4	170.3	-166.1	19.7	0	0	0	111.6	N579 D730 Y731 S836	N579-N728 PolarHBondContact OD1-N 3.06Å; N728-D730 VanDerWaalsContact C-N 3.28Å; N728-D730 PolarHBondContact O-N 3.34Å; N728-Y731 WeakPolarHBondContact O-CB 3.28Å; N728-Y731 PolarHBondContact O-N 3.09Å; N728-Y731 VanDerWaalsContact O-N 3.08Å; N728-S836 VanDerWaalsContact O-CB 3.24Å; N728-S836 WeakPolarHBondContact O-CB 3.26Å
729	A	81.2	Confident	84.6	Confident	50 Å²	50	45.5 Å²	45.5	41%	0.413	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.5	-179.3	0	0	0	0	0	112.8	Y731 R839	A729-Y731 VanDerWaalsContact C-N 3.27Å; A729-Y731 PolarHBondContact O-N 3.1Å; A729-R839 HydrophobicContact CB-CB 4.2Å
730	D	78.4	Confident	85.1	Confident	96 Å²	96	43.7 Å²	43.7	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.3	178.9	-55.9	-55.2	0	0	0	114.1	N728 K732	N728-D730 VanDerWaalsContact C-N 3.28Å; N728-D730 PolarHBondContact O-N 3.34Å; D730-K732 PolarHBondContact O-N 2.95Å
731	Y	81.8	Confident	85.5	Confident	26 Å²	26	42.1 Å²	42.1	10%	0.102	23%	0.233	C	C	.	.			trans	-69.4	120.4	-178.4	-175.2	-96.1	0	0	0	110.9	P727 N728 A729 V733 E807 L812 S836	P727-Y731 HydrophobicContact CB-CD1 3.72Å; P727-Y731 HydrophobicContact CB-CE1 4.47Å; P727-Y731 HydrophobicContact CB-CG 3.84Å; N728-Y731 WeakPolarHBondContact O-CB 3.28Å; N728-Y731 PolarHBondContact O-N 3.09Å; N728-Y731 VanDerWaalsContact O-N 3.08Å; A729-Y731 VanDerWaalsContact C-N 3.27Å; A729-Y731 PolarHBondContact O-N 3.1Å; Y731-V733 HydrophobicContact CE1-CG2 4.2Å; Y731-E807 VanDerWaalsContact CE2-OE2 3.27Å; Y731-E807 WeakPolarHBondContact CE2-OE2 3.42Å; Y731-E807 PolarHBondContact OH-OE2 3.44Å; Y731-L812 HydrophobicContact CE2-CD1 4.11Å; Y731-S836 VanDerWaalsContact O-CB 3.3Å; Y731-S836 WeakPolarHBondContact O-CB 3.13Å; Y731-S836 PolarHBondContact O-OG 3.11Å
732	K	81.1	Confident	85.6	Confident	183 Å²	183	42.3 Å²	42.3	80%	0.796	23%	0.234	S	C	*	.			trans	-107.2	122	173.5	-66.5	-178	-178.9	178	0	108.6	D730 P734	D730-K732 PolarHBondContact O-N 2.95Å; K732-P734 WeakPolarHBondContact O-CD 3.45Å
733	V	82.1	Confident	85.7	Confident	24 Å²	24	40.9 Å²	40.9	15%	0.145	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-62.3	122.3	178	-166.8	0	0	0	0	108.9	Y731 I764 F783 I805 A814	Y731-V733 HydrophobicContact CE1-CG2 4.2Å; V733-I764 HydrophobicContact CG1-CD1 3.67Å; V733-I764 HydrophobicContact CG1-CG1 3.75Å; V733-I764 HydrophobicContact CG1-CG2 4.35Å; V733-F783 HydrophobicContact CG2-CE1 4.47Å; V733-F783 HydrophobicContact CG2-CZ 4.49Å; V733-I805 HydrophobicContact CG1-CD1 4.02Å; V733-A814 HydrophobicContact CG1-CB 4.3Å; V733-A814 HydrophobicContact CG2-CB 3.95Å
734	P	80.3	Confident	85.6	Confident	51 Å²	51	40.6 Å²	40.6	33%	0.331	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-65.7	140.8	-178.6	22.6	-30.7	0	0	0	112	K732 E737 I764 I805	K732-P734 WeakPolarHBondContact O-CD 3.45Å; P734-E737 HydrophobicContact CB-CB 4.24Å; P734-E737 HydrophobicContact CG-CB 3.78Å; P734-E737 HydrophobicContact CG-CG 3.94Å; P734-E737 WeakPolarHBondContact O-CB 3.18Å; P734-I764 VanDerWaalsContact O-CB 3.28Å; P734-I764 WeakPolarHBondContact O-CB 3.35Å; P734-I764 WeakPolarHBondContact O-CG1 3.04Å; P734-I764 WeakPolarHBondContact O-CG2 3.34Å; P734-I805 HydrophobicContact CG-CD1 4.2Å
735	V	82.3	Confident	85.1	Confident	82 Å²	82	40.6 Å²	40.6	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	141	178	176.9	0	0	0	0	109.9	E737 N766	V735-E737 PolarHBondContact O-N 2.9Å; V735-N766 HydrophobicContact CG1-CB 3.94Å
736	G	77.6	Confident	84.4	Confident	39 Å²	39	40.6 Å²	40.6	40%	0.402	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-16.2	-177.8	0	0	0	0	0	114.4	I764	G736-I764 PolarHBondContact N-O 2.88Å
737	E	80.6	Confident	83.4	Confident	90 Å²	90	44 Å²	44	42%	0.421	25%	0.249	S	C	.	.			trans	-62.8	145.9	-177.4	-167.5	52.3	-109.3	0	0	112.7	P734 V735 R763 I764 I805	P734-E737 HydrophobicContact CB-CB 4.24Å; P734-E737 HydrophobicContact CG-CB 3.78Å; P734-E737 HydrophobicContact CG-CG 3.94Å; P734-E737 WeakPolarHBondContact O-CB 3.18Å; V735-E737 PolarHBondContact O-N 2.9Å; E737-R763 WeakPolarHBondContact O-CA 3.39Å; E737-I764 HydrophobicContact CB-CG1 4.42Å; E737-I764 PolarHBondContact O-N 2.84Å; E737-I764 VanDerWaalsContact O-N 3.08Å; E737-I805 HydrophobicContact CG-CD1 3.85Å; E737-I805 HydrophobicContact CG-CG1 4.37Å
738	T	83.4	Confident	82.5	Confident	36 Å²	36	52.3 Å²	52.3	22%	0.221	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.9	177	-93.4	0	0	0	0	109.7	F740 E761	T738-F740 HydrophobicContact CG2-CE2 4.42Å; T738-F740 HydrophobicContact CG2-CZ 4.43Å; T738-E761 HydrophobicContact CG2-CG 3.53Å; T738-E761 WeakPolarHBondContact CG2-OE1 3.42Å; T738-E761 PolarHBondContact OG1-OE1 3.33Å
739	V	89.3	Confident	82	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.9	179	-61.6	0	0	0	0	111	V762 I764 A785 L803 N804 I805	V739-V762 HydrophobicContact CG2-CG2 3.7Å; V739-V762 WeakPolarHBondContact CG2-O 3.23Å; V739-V762 PolarHBondContact N-O 2.91Å; V739-V762 PolarHBondContact O-N 3.37Å; V739-V762 VanDerWaalsContact O-O 3.08Å; V739-I764 HydrophobicContact CB-CD1 4.48Å; V739-I764 HydrophobicContact CG1-CD1 3.87Å; V739-I764 HydrophobicContact CG1-CG1 3.98Å; V739-I764 HydrophobicContact CG2-CD1 3.78Å; V739-I764 HydrophobicContact CG2-CG1 4.35Å; V739-A785 HydrophobicContact CG2-CB 4.26Å; V739-L803 HydrophobicContact CB-CD2 3.79Å; V739-L803 HydrophobicContact CB-CG 4.24Å; V739-L803 HydrophobicContact CG1-CD2 4.02Å; V739-L803 HydrophobicContact CG2-CD1 3.96Å; V739-L803 HydrophobicContact CG2-CD2 3.78Å; V739-L803 HydrophobicContact CG2-CG 3.88Å; V739-N804 WeakPolarHBondContact CA-O 3.34Å; V739-N804 WeakPolarHBondContact CB-O 3.38Å; V739-I805 HydrophobicContact CG1-CB 3.87Å; V739-I805 HydrophobicContact CG1-CD1 3.91Å; V739-I805 HydrophobicContact CG1-CG1 3.88Å
740	F	90.6	Very high	81.2	Confident	57 Å²	57	54.3 Å²	54.3	25%	0.25	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131	-178.7	-64.1	-82.7	0	0	0	111.1	F621 T738 A760 E761 N804 M811	F621-F740 HydrophobicContact CE1-CB 4.08Å; F621-F740 HydrophobicContact CZ-CB 4.12Å; F621-F740 HydrophobicContact CZ-CG 4.37Å; T738-F740 HydrophobicContact CG2-CE2 4.42Å; T738-F740 HydrophobicContact CG2-CZ 4.43Å; F740-A760 WeakPolarHBondContact CA-O 3.13Å; F740-E761 HydrophobicContact CD1-CB 4.41Å; F740-E761 HydrophobicContact CE1-CB 4.12Å; F740-E761 HydrophobicContact CE1-CG 4.08Å; F740-E761 HydrophobicContact CZ-CG 4.42Å; F740-N804 HydrophobicContact CB-CB 4.4Å; F740-N804 PolarHBondContact N-O 2.96Å; F740-N804 PolarHBondContact O-N 3.12Å; F740-N804 PolarHBondContact O-ND2 3.36Å; F740-M811 HydrophobicContact CD2-CE 4.35Å
741	I	91.8	Very high	80.5	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146	170.2	59	171.2	0	0	0	109.5	K759 A760 V762 A794 L803 Y832	I741-K759 WeakPolarHBondContact O-CA 3.04Å; I741-A760 HydrophobicContact CD1-CB 4.21Å; I741-A760 HydrophobicContact CG1-CB 3.82Å; I741-A760 PolarHBondContact N-O 2.83Å; I741-A760 PolarHBondContact O-N 3.4Å; I741-V762 HydrophobicContact CD1-CG1 3.93Å; I741-V762 HydrophobicContact CD1-CG2 4.48Å; I741-V762 HydrophobicContact CG1-CG1 4.3Å; I741-V762 HydrophobicContact CG1-CG2 4.4Å; I741-V762 HydrophobicContact CG2-CG2 3.92Å; I741-A794 HydrophobicContact CD1-CB 4.1Å; I741-L803 HydrophobicContact CG2-CB 4.15Å; I741-L803 HydrophobicContact CG2-CD1 4.11Å; I741-L803 HydrophobicContact CG2-CG 4.01Å; I741-Y832 HydrophobicContact CG2-CE1 3.86Å
742	T	92.8	Very high	80.1	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.037	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139	-174.3	57.7	0	0	0	0	112.7	F621 Q624 Q758 K759 P802	F621-T742 HydrophobicContact CB-CG2 4.44Å; F621-T742 HydrophobicContact CD1-CG2 3.81Å; F621-T742 HydrophobicContact CD2-CG2 3.72Å; F621-T742 HydrophobicContact CE1-CG2 3.91Å; F621-T742 HydrophobicContact CE2-CG2 3.84Å; F621-T742 HydrophobicContact CG-CG2 3.72Å; F621-T742 HydrophobicContact CZ-CG2 3.92Å; Q624-T742 PolarHBondContact NE2-O 3.41Å; T742-Q758 VanDerWaalsContact CA-O 3.27Å; T742-Q758 WeakPolarHBondContact CA-O 3.31Å; T742-K759 HydrophobicContact CG2-CB 3.99Å; T742-P802 WeakPolarHBondContact OG1-CG 3.34Å
743	G	91.3	Very high	80	Confident	3 Å²	3	47 Å²	47	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-177.9	179.1	0	0	0	0	0	115.4	Q758 D798	G743-Q758 PolarHBondContact N-O 2.72Å; G743-Q758 VanDerWaalsContact N-O 3.13Å; G743-Q758 PolarHBondContact O-N 2.91Å; G743-D798 WeakPolarHBondContact CA-OD1 3.09Å
744	W	90.4	Very high	80	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.284	C	S	.	.			trans	-114.6	20.5	178.4	-65.1	-90.4	0	0	0	112	Q624 H634 L673 H674 Q676 A753 A754 L757 D798	Q624-W744 HydrophobicContact CG-CH2 3.64Å; Q624-W744 HydrophobicContact CG-CZ3 3.62Å; H634-W744 AromaticContact CE1-CE3 3.73Å; L673-W744 HydrophobicContact CB-CZ2 4.38Å; L673-W744 HydrophobicContact CG-CZ2 4.48Å; L673-W744 VanDerWaalsContact O-CZ2 3.31Å; L673-W744 WeakPolarHBondContact O-CZ2 3.5Å; H674-W744 PolarHBondContact O-NE1 3.33Å; Q676-W744 HydrophobicContact CG-CB 4.41Å; Q676-W744 HydrophobicContact CG-CG 3.99Å; Q676-W744 VanDerWaalsContact NE2-CD2 3.35Å; Q676-W744 VanDerWaalsContact NE2-CG 3.35Å; W744-A753 CarbonylContact O-C 3.58Å; W744-A753 WeakPolarHBondContact O-CB 3.45Å; W744-A754 PolarHBondContact O-N 2.81Å; W744-L757 HydrophobicContact CD2-CD1 3.97Å; W744-L757 HydrophobicContact CE3-CD1 4.06Å; W744-L757 HydrophobicContact CH2-CD1 3.95Å; W744-L757 HydrophobicContact CZ2-CB 3.78Å; W744-L757 HydrophobicContact CZ2-CD1 3.85Å; W744-L757 HydrophobicContact CZ2-CD2 4.35Å; W744-L757 HydrophobicContact CZ2-CG 4.2Å; W744-L757 HydrophobicContact CZ3-CD1 4.05Å; W744-L757 VanDerWaalsContact NE1-CA 3.34Å; W744-L757 VanDerWaalsContact NE1-N 3.15Å; W744-D798 PolarHBondContact N-OD1 3.09Å
745	G	82.1	Confident	80.3	Confident	2 Å²	2	49 Å²	49	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-64.7	179.9	179.8	0	0	0	0	0	114	T747 A754 Q796 D798	G745-T747 PolarHBondContact O-N 2.8Å; G745-A754 PolarHBondContact O-N 2.8Å; G745-Q796 CarbonylContact C-O 3.6Å; G745-Q796 WeakPolarHBondContact CA-O 3.27Å; G745-D798 WeakPolarHBondContact CA-OD1 3.08Å; G745-D798 PolarHBondContact N-OD1 3.21Å
746	A	75.2	Confident	80.6	Confident	8 Å²	8	46.4 Å²	46.4	7%	0.066	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-67.1	120.8	-179.5	0	0	0	0	0	111.1	R748 G751 C795 Q796	A746-R748 WeakPolarHBondContact CB-O 3.23Å; A746-R748 PolarHBondContact O-N 3.46Å; A746-G751 WeakPolarHBondContact CB-O 3.47Å; A746-C795 WeakPolarHBondContact O-CB 3.37Å; A746-C795 PolarHBondContact O-SG 3.31Å; A746-C795 VanDerWaalsContact O-SG 3.39Å; A746-Q796 PolarHBondContact N-O 2.85Å
747	T	70.9	Confident	81.2	Confident	93 Å²	93	44.9 Å²	44.9	57%	0.571	26%	0.257	S	S	*	.	S	Bend	trans	-68	-0.1	-178.8	58.3	0	0	0	0	114.5	G745 A754 Q758	G745-T747 PolarHBondContact O-N 2.8Å; T747-A754 HydrophobicContact CG2-CB 3.89Å; T747-Q758 HydrophobicContact CG2-CG 4.38Å
748	R	68.9	Low	81.6	Confident	174 Å²	174	42.4 Å²	42.4	66%	0.657	25%	0.245	S	C	*	.	S	Bend	trans	-157.7	152.4	170.3	56.1	-175.6	161.5	-168.6	-7.1	108.1	A746 G750 G751	A746-R748 WeakPolarHBondContact CB-O 3.23Å; A746-R748 PolarHBondContact O-N 3.46Å; R748-G750 PolarHBondContact O-N 3.12Å; R748-G751 WeakPolarHBondContact O-CA 3.41Å; R748-G751 PolarHBondContact O-N 2.79Å
749	E	70.4	Confident	81.9	Confident	87 Å²	87	41.2 Å²	41.2	41%	0.407	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	124.1	178.2	-170.4	179.3	175.5	0	0	111.7	G751 C823 R825	E749-G751 PolarHBondContact O-N 3.05Å; E749-C823 HydrophobicContact CB-CB 4.14Å; E749-R825 VanDerWaalsContact CD-NH2 3.34Å; E749-R825 IonicContact OE1-CZ 3.2Å; E749-R825 IonicContact OE1-NE 3.38Å; E749-R825 IonicContact OE1-NH2 3.25Å; E749-R825 PolarHBondContact OE1-NH2 3.16Å; E749-R825 IonicContact OE2-CZ 2.68Å; E749-R825 IonicContact OE2-NE 3.7Å; E749-R825 PolarHBondContact OE2-NE 2.88Å; E749-R825 IonicContact OE2-NH2 2.66Å; E749-R825 PolarHBondContact OE2-NH2 2.84Å
750	G	63.6	Low	81.7	Confident	75 Å²	75	41.6 Å²	41.6	77%	0.773	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	10.1	-176.3	0	0	0	0	0	115.5	R748	R748-G750 PolarHBondContact O-N 3.12Å
751	G	65.4	Low	81.5	Confident	24 Å²	24	41.9 Å²	41.9	25%	0.247	24%	0.243	C	C	.	.			trans	-82	178.7	175.6	0	0	0	0	0	114.1	A746 R748 E749	A746-G751 WeakPolarHBondContact CB-O 3.47Å; R748-G751 WeakPolarHBondContact O-CA 3.41Å; R748-G751 PolarHBondContact O-N 2.79Å; E749-G751 PolarHBondContact O-N 3.05Å
752	P	72.4	Confident	81.3	Confident	84 Å²	84	41.6 Å²	41.6	55%	0.545	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-71.5	143	171.9	31.2	-34.1	0	0	0	111.2
753	A	78.8	Confident	81.1	Confident	43 Å²	43	47.4 Å²	47.4	36%	0.355	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-58.1	136.9	169.4	0	0	0	0	0	111.8	W744	W744-A753 CarbonylContact O-C 3.58Å; W744-A753 WeakPolarHBondContact O-CB 3.45Å
754	A	83.1	Confident	80.9	Confident	10 Å²	10	47.6 Å²	47.6	8%	0.083	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58.9	150.1	178.8	0	0	0	0	0	111.9	W744 G745 T747 Q758	W744-A754 PolarHBondContact O-N 2.81Å; G745-A754 PolarHBondContact O-N 2.8Å; T747-A754 HydrophobicContact CG2-CB 3.89Å; A754-Q758 HydrophobicContact CB-CG 3.66Å
755	K	86.1	Confident	80.7	Confident	108 Å²	108	48.6 Å²	48.6	47%	0.47	27%	0.268	S	S	.	.	S	Bend	trans	-95.1	-44.1	176.7	-59.4	-49.7	177.7	-157.9	0	111.7	D675 Q676 R677	D675-K755 CarbonylContact C-O 3.44Å; D675-K755 WeakPolarHBondContact CA-O 3.43Å; Q676-K755 HydrophobicContact CB-CD 4.36Å; Q676-K755 WeakPolarHBondContact CG-O 3.27Å; Q676-K755 PolarHBondContact N-O 3.29Å; R677-K755 HydrophobicContact CG-CB 4.25Å; R677-K755 HydrophobicContact CG-CD 4.44Å; R677-K755 HydrophobicContact CG-CG 4.31Å
756	V	88.6	Confident	80.9	Confident	27 Å²	27	51.4 Å²	51.4	16%	0.164	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-87.9	146.1	171.8	-177.1	0	0	0	0	109	D615 H674 Q758	D615-V756 HydrophobicContact CB-CG1 3.96Å; H674-V756 WeakPolarHBondContact CE1-CG1 3.44Å; V756-Q758 PolarHBondContact O-N 2.66Å; V756-Q758 PolarHBondContact O-NE2 3.48Å
757	L	90	Very high	81.2	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59	122.7	175.7	176.3	60.1	0	0	0	109.7	A616 Q624 H674 W744	A616-L757 HydrophobicContact CB-CB 4.3Å; A616-L757 HydrophobicContact CB-CD2 4.09Å; A616-L757 HydrophobicContact CB-CG 3.92Å; A616-L757 WeakPolarHBondContact CB-O 3.03Å; A616-L757 PolarHBondContact N-O 3.27Å; Q624-L757 HydrophobicContact CB-CD2 4.33Å; Q624-L757 HydrophobicContact CG-CD1 3.77Å; Q624-L757 HydrophobicContact CG-CD2 3.97Å; H674-L757 PolarHBondContact O-N 2.93Å; W744-L757 HydrophobicContact CD2-CD1 3.97Å; W744-L757 HydrophobicContact CE3-CD1 4.06Å; W744-L757 HydrophobicContact CH2-CD1 3.95Å; W744-L757 HydrophobicContact CZ2-CB 3.78Å; W744-L757 HydrophobicContact CZ2-CD1 3.85Å; W744-L757 HydrophobicContact CZ2-CD2 4.35Å; W744-L757 HydrophobicContact CZ2-CG 4.2Å; W744-L757 HydrophobicContact CZ3-CD1 4.05Å; W744-L757 VanDerWaalsContact NE1-CA 3.34Å; W744-L757 VanDerWaalsContact NE1-N 3.15Å
758	Q	89.4	Confident	81.7	Confident	37 Å²	37	53.8 Å²	53.8	17%	0.173	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	151.1	175.1	-54.4	-59.3	-75	0	0	110.6	E614 D615 T742 G743 T747 A754 V756	E614-Q758 CarbonylContact O-C 3.56Å; E614-Q758 WeakPolarHBondContact O-CA 3.26Å; D615-Q758 PolarHBondContact OD1-NE2 3.11Å; T742-Q758 VanDerWaalsContact CA-O 3.27Å; T742-Q758 WeakPolarHBondContact CA-O 3.31Å; G743-Q758 PolarHBondContact N-O 2.72Å; G743-Q758 VanDerWaalsContact N-O 3.13Å; G743-Q758 PolarHBondContact O-N 2.91Å; T747-Q758 HydrophobicContact CG2-CG 4.38Å; A754-Q758 HydrophobicContact CB-CG 3.66Å; V756-Q758 PolarHBondContact O-N 2.66Å; V756-Q758 PolarHBondContact O-NE2 3.48Å
759	K	88.4	Confident	82.2	Confident	11 Å²	11	49 Å²	49	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	164.7	63.2	-173.4	170.1	119.6	0	110.2	E614 A616 E620 F621 I741 T742	E614-K759 HydrophobicContact CG-CD 4.18Å; E614-K759 HydrophobicContact CG-CG 3.52Å; E614-K759 PolarHBondContact N-O 3.15Å; E614-K759 PolarHBondContact O-N 3.46Å; E614-K759 WeakPolarHBondContact OE1-CE 3.16Å; E614-K759 IonicContact OE1-NZ 3.91Å; E614-K759 PolarHBondContact OE1-NZ 3.13Å; E614-K759 IonicContact OE2-NZ 2.68Å; E614-K759 PolarHBondContact OE2-NZ 2.94Å; A616-K759 HydrophobicContact CB-CB 4.13Å; A616-K759 HydrophobicContact CB-CD 3.93Å; A616-K759 HydrophobicContact CB-CG 4.08Å; E620-K759 IonicContact OE1-NZ 3.99Å; E620-K759 PolarHBondContact OE1-NZ 3.36Å; E620-K759 VanDerWaalsContact OE2-CD 3.28Å; E620-K759 WeakPolarHBondContact OE2-CD 2.89Å; E620-K759 WeakPolarHBondContact OE2-CE 3.04Å; E620-K759 IonicContact OE2-NZ 2.92Å; E620-K759 PolarHBondContact OE2-NZ 3.01Å; F621-K759 HydrophobicContact CE2-CB 3.93Å; F621-K759 HydrophobicContact CE2-CD 3.76Å; F621-K759 HydrophobicContact CE2-CG 4.47Å; F621-K759 HydrophobicContact CZ-CB 4.42Å; F621-K759 HydrophobicContact CZ-CD 4.47Å; I741-K759 WeakPolarHBondContact O-CA 3.04Å; T742-K759 HydrophobicContact CG2-CB 3.99Å
760	A	86.1	Confident	82.8	Confident	9 Å²	9	44.8 Å²	44.8	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	140.7	174.8	0	0	0	0	0	111.4	F740 I741 V792	F740-A760 WeakPolarHBondContact CA-O 3.13Å; I741-A760 HydrophobicContact CD1-CB 4.21Å; I741-A760 HydrophobicContact CG1-CB 3.82Å; I741-A760 PolarHBondContact N-O 2.83Å; I741-A760 PolarHBondContact O-N 3.4Å; A760-V792 HydrophobicContact CB-CG1 3.52Å
761	E	86.2	Confident	83.7	Confident	63 Å²	63	42.8 Å²	42.8	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.9	171.8	-162.7	-170	143.9	0	0	109.5	T738 F740	T738-E761 HydrophobicContact CG2-CG 3.53Å; T738-E761 WeakPolarHBondContact CG2-OE1 3.42Å; T738-E761 PolarHBondContact OG1-OE1 3.33Å; F740-E761 HydrophobicContact CD1-CB 4.41Å; F740-E761 HydrophobicContact CE1-CB 4.12Å; F740-E761 HydrophobicContact CE1-CG 4.08Å; F740-E761 HydrophobicContact CZ-CG 4.42Å
762	V	87.3	Confident	84.3	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	164	176.4	-62	0	0	0	0	110.1	V739 I741 A785 V792	V739-V762 HydrophobicContact CG2-CG2 3.7Å; V739-V762 WeakPolarHBondContact CG2-O 3.23Å; V739-V762 PolarHBondContact N-O 2.91Å; V739-V762 PolarHBondContact O-N 3.37Å; V739-V762 VanDerWaalsContact O-O 3.08Å; I741-V762 HydrophobicContact CD1-CG1 3.93Å; I741-V762 HydrophobicContact CD1-CG2 4.48Å; I741-V762 HydrophobicContact CG1-CG1 4.3Å; I741-V762 HydrophobicContact CG1-CG2 4.4Å; I741-V762 HydrophobicContact CG2-CG2 3.92Å; V762-A785 HydrophobicContact CG2-CB 3.86Å; V762-V792 HydrophobicContact CG1-CG1 4.04Å
763	R	88.1	Confident	84.5	Confident	127 Å²	127	44.9 Å²	44.9	48%	0.479	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.4	179	-69.7	-173	-179.5	-176.8	1.5	112.8	E737 A785 G786	E737-R763 WeakPolarHBondContact O-CA 3.39Å; R763-A785 WeakPolarHBondContact O-CA 3.38Å; R763-G786 PolarHBondContact O-N 2.87Å
764	I	88.3	Confident	84.4	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.3	175.4	-55.1	-63.7	0	0	0	110.5	V733 P734 G736 E737 V739 F783 A785 L803	V733-I764 HydrophobicContact CG1-CD1 3.67Å; V733-I764 HydrophobicContact CG1-CG1 3.75Å; V733-I764 HydrophobicContact CG1-CG2 4.35Å; P734-I764 VanDerWaalsContact O-CB 3.28Å; P734-I764 WeakPolarHBondContact O-CB 3.35Å; P734-I764 WeakPolarHBondContact O-CG1 3.04Å; P734-I764 WeakPolarHBondContact O-CG2 3.34Å; G736-I764 PolarHBondContact N-O 2.88Å; E737-I764 HydrophobicContact CB-CG1 4.42Å; E737-I764 PolarHBondContact O-N 2.84Å; E737-I764 VanDerWaalsContact O-N 3.08Å; V739-I764 HydrophobicContact CB-CD1 4.48Å; V739-I764 HydrophobicContact CG1-CD1 3.87Å; V739-I764 HydrophobicContact CG1-CG1 3.98Å; V739-I764 HydrophobicContact CG2-CD1 3.78Å; V739-I764 HydrophobicContact CG2-CG1 4.35Å; I764-F783 HydrophobicContact CD1-CD2 3.93Å; I764-F783 HydrophobicContact CD1-CE2 3.55Å; I764-A785 HydrophobicContact CD1-CB 4.05Å; I764-L803 HydrophobicContact CD1-CD2 4.43Å
765	I	86.5	Confident	84.1	Confident	22 Å²	22	46.4 Å²	46.4	11%	0.113	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.3	-178.4	-62.3	161.9	0	0	0	109.6	H767 C770 C784 L788 P829	I765-H767 PolarHBondContact O-N 3.42Å; I765-C770 HydrophobicContact CG2-CB 4.03Å; I765-C784 HydrophobicContact CB-CB 4.2Å; I765-C784 HydrophobicContact CD1-CB 4.48Å; I765-C784 PolarHBondContact N-O 3Å; I765-L788 HydrophobicContact CD1-CD2 3.89Å; I765-L788 HydrophobicContact CD1-CG 4.29Å; I765-P829 HydrophobicContact CD1-CB 3.44Å; I765-P829 VanDerWaalsContact CD1-CB 3.44Å; I765-P829 HydrophobicContact CD1-CG 3.79Å
766	N	85.3	Confident	83.5	Confident	60 Å²	60	49.3 Å²	49.3	32%	0.321	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-53.1	128.4	176.9	-172.4	-48.4	0	0	0	111	V735 T768 E769 C770	V735-N766 HydrophobicContact CG1-CB 3.94Å; N766-T768 VanDerWaalsContact C-N 3.29Å; N766-T768 PolarHBondContact O-N 3.12Å; N766-T768 PolarHBondContact OD1-N 2.8Å; N766-E769 HydrophobicContact CB-CB 4.43Å; N766-E769 HydrophobicContact CB-CG 4.33Å; N766-E769 PolarHBondContact O-N 3Å; N766-E769 VanDerWaalsContact O-N 3.12Å; N766-C770 PolarHBondContact O-N 2.92Å
767	H	81.7	Confident	82.8	Confident	69 Å²	69	53.4 Å²	53.4	32%	0.319	25%	0.254	S	S	.	.	H	α-helix	trans	-54.4	-42.1	-176.8	-178.1	90.5	0	0	0	112.9	I765 E769 C770 N771 T779 M782	I765-H767 PolarHBondContact O-N 3.42Å; H767-E769 PolarHBondContact O-N 3.24Å; H767-C770 PolarHBondContact O-N 3.35Å; H767-N771 VanDerWaalsContact O-CB 3.29Å; H767-N771 WeakPolarHBondContact O-CB 3.35Å; H767-N771 PolarHBondContact O-N 2.97Å; H767-T779 PolarHBondContact CE1-O 3.07Å; H767-T779 VanDerWaalsContact CE1-O 3.32Å; H767-M782 PolarHBondContact ND1-O 2.82Å; H767-M782 VanDerWaalsContact ND1-O 3.17Å
768	T	80.4	Confident	82.4	Confident	83 Å²	83	53.8 Å²	53.8	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-41.4	-179.9	-59	0	0	0	0	111.7	N766 K772	N766-T768 VanDerWaalsContact C-N 3.29Å; N766-T768 PolarHBondContact O-N 3.12Å; N766-T768 PolarHBondContact OD1-N 2.8Å; T768-K772 WeakPolarHBondContact O-CG 3.45Å; T768-K772 PolarHBondContact O-N 2.77Å
769	E	80.6	Confident	82.2	Confident	72 Å²	72	53.7 Å²	53.7	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-73.4	-41.7	178.5	-61.5	-46.8	124.3	0	0	111.9	N766 H767 N771 K772 L773	N766-E769 HydrophobicContact CB-CB 4.43Å; N766-E769 HydrophobicContact CB-CG 4.33Å; N766-E769 PolarHBondContact O-N 3Å; N766-E769 VanDerWaalsContact O-N 3.12Å; H767-E769 PolarHBondContact O-N 3.24Å; E769-N771 VanDerWaalsContact C-N 3.28Å; E769-N771 PolarHBondContact O-N 3.38Å; E769-K772 WeakPolarHBondContact O-CB 3.29Å; E769-K772 PolarHBondContact O-N 3.05Å; E769-K772 VanDerWaalsContact O-N 3.15Å; E769-K772 WeakPolarHBondContact OE1-CE 3.45Å; E769-K772 IonicContact OE1-NZ 3.8Å; E769-K772 PolarHBondContact OE1-NZ 2.94Å; E769-K772 WeakPolarHBondContact OE2-CD 3.45Å; E769-K772 IonicContact OE2-NZ 2.73Å; E769-K772 PolarHBondContact OE2-NZ 2.94Å; E769-L773 WeakPolarHBondContact O-CG 3.37Å; E769-L773 PolarHBondContact O-N 2.81Å
770	C	82.8	Confident	81.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-37.5	174.9	-166.8	0	0	0	0	112	I765 N766 H767 K772 L773 M774 L778 C784	I765-C770 HydrophobicContact CG2-CB 4.03Å; N766-C770 PolarHBondContact O-N 2.92Å; H767-C770 PolarHBondContact O-N 3.35Å; C770-K772 VanDerWaalsContact C-N 3.26Å; C770-K772 PolarHBondContact O-N 3.43Å; C770-L773 PolarHBondContact O-N 3.43Å; C770-L773 VanDerWaalsContact O-N 3.1Å; C770-M774 WeakPolarHBondContact O-CB 3.32Å; C770-M774 WeakPolarHBondContact O-CG 3.36Å; C770-M774 PolarHBondContact O-N 2.81Å; C770-L778 HydrophobicContact CB-CD2 4.27Å; C770-C784 HydrophobicContact CB-CB 3.58Å; C770-C784 WeakPolarHBondContact CB-SG 3.42Å; C770-C784 WeakPolarHBondContact SG-CB 3.2Å; C770-C784 CovalentContact SG-SG 2.01Å; C770-C784 PolarHBondContact SG-SG 3.5Å
771	N	81.9	Confident	82	Confident	32 Å²	32	59.9 Å²	59.9	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-34.3	176.9	-156	15.9	0	0	0	111.7	H767 E769 S775 Y776 R777 L778	H767-N771 VanDerWaalsContact O-CB 3.29Å; H767-N771 WeakPolarHBondContact O-CB 3.35Å; H767-N771 PolarHBondContact O-N 2.97Å; E769-N771 VanDerWaalsContact C-N 3.28Å; E769-N771 PolarHBondContact O-N 3.38Å; N771-S775 PolarHBondContact O-N 2.97Å; N771-Y776 VanDerWaalsContact O-CA 3.32Å; N771-Y776 WeakPolarHBondContact O-CA 3.33Å; N771-Y776 PolarHBondContact O-N 2.84Å; N771-Y776 WeakPolarHBondContact OD1-CA 3.41Å; N771-R777 PolarHBondContact OD1-N 3.13Å; N771-L778 HydrophobicContact CB-CB 4.25Å; N771-L778 WeakPolarHBondContact OD1-CB 3.43Å; N771-L778 PolarHBondContact OD1-N 2.9Å
772	K	78.4	Confident	82.3	Confident	96 Å²	96	57 Å²	57	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-47.2	169.9	-63	173	-162.2	164.9	0	112.1	T768 E769 C770 M774 S775 Y776	T768-K772 WeakPolarHBondContact O-CG 3.45Å; T768-K772 PolarHBondContact O-N 2.77Å; E769-K772 WeakPolarHBondContact O-CB 3.29Å; E769-K772 PolarHBondContact O-N 3.05Å; E769-K772 VanDerWaalsContact O-N 3.15Å; E769-K772 WeakPolarHBondContact OE1-CE 3.45Å; E769-K772 IonicContact OE1-NZ 3.8Å; E769-K772 PolarHBondContact OE1-NZ 2.94Å; E769-K772 WeakPolarHBondContact OE2-CD 3.45Å; E769-K772 IonicContact OE2-NZ 2.73Å; E769-K772 PolarHBondContact OE2-NZ 2.94Å; C770-K772 VanDerWaalsContact C-N 3.26Å; C770-K772 PolarHBondContact O-N 3.43Å; K772-M774 PolarHBondContact O-N 2.86Å; K772-S775 PolarHBondContact O-N 3.04Å; K772-Y776 HydrophobicContact CG-CE1 4.31Å
773	L	77.3	Confident	82.5	Confident	56 Å²	56	57.8 Å²	57.8	29%	0.293	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-30.4	-180	-67	175.7	0	0	0	113.3	E769 C770 L788 N827 K828	E769-L773 WeakPolarHBondContact O-CG 3.37Å; E769-L773 PolarHBondContact O-N 2.81Å; C770-L773 PolarHBondContact O-N 3.43Å; C770-L773 VanDerWaalsContact O-N 3.1Å; L773-L788 HydrophobicContact CD1-CD2 3.74Å; L773-N827 HydrophobicContact CD2-CB 4.3Å; L773-K828 PolarHBondContact O-NZ 3.4Å
774	M	76.3	Confident	82.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	24.2	-179.7	-58.5	-52.6	-60.9	0	0	113.2	C770 K772 Y776 R777 L778 W819 D821 K828 I831	C770-M774 WeakPolarHBondContact O-CB 3.32Å; C770-M774 WeakPolarHBondContact O-CG 3.36Å; C770-M774 PolarHBondContact O-N 2.81Å; K772-M774 PolarHBondContact O-N 2.86Å; M774-Y776 VanDerWaalsContact C-N 3.31Å; M774-Y776 PolarHBondContact O-N 2.83Å; M774-R777 WeakPolarHBondContact O-CB 3.35Å; M774-R777 VanDerWaalsContact O-CG 3.31Å; M774-R777 WeakPolarHBondContact O-CG 3.37Å; M774-R777 PolarHBondContact O-N 3.2Å; M774-L778 HydrophobicContact CB-CD1 3.6Å; M774-L778 HydrophobicContact CG-CD1 3.79Å; M774-W819 HydrophobicContact CE-CE3 4.38Å; M774-W819 HydrophobicContact CE-CH2 3.58Å; M774-W819 HydrophobicContact CE-CZ3 3.42Å; M774-W819 VanDerWaalsContact CE-CZ3 3.42Å; M774-D821 HydrophobicContact CE-CB 3.89Å; M774-D821 VanDerWaalsContact CE-CG 3.42Å; M774-D821 WeakPolarHBondContact CE-OD2 3.25Å; M774-K828 HydrophobicContact SD-CD 4.03Å; M774-I831 HydrophobicContact CE-CD1 3.59Å; M774-I831 HydrophobicContact CG-CD1 4.33Å; M774-I831 HydrophobicContact SD-CD1 4.14Å
775	S	77.3	Confident	82.7	Confident	85 Å²	85	51.4 Å²	51.4	59%	0.594	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	40.3	173.4	-55.5	0	0	0	0	114.2	N771 K772 R777	N771-S775 PolarHBondContact O-N 2.97Å; K772-S775 PolarHBondContact O-N 3.04Å; S775-R777 VanDerWaalsContact C-N 3.33Å; S775-R777 PolarHBondContact O-N 3.34Å
776	Y	73.7	Confident	82.6	Confident	170 Å²	170	50.6 Å²	50.6	67%	0.667	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	29.3	-180	-57.4	-81.2	0	0	0	115.3	N771 K772 M774	N771-Y776 VanDerWaalsContact O-CA 3.32Å; N771-Y776 WeakPolarHBondContact O-CA 3.33Å; N771-Y776 PolarHBondContact O-N 2.84Å; N771-Y776 WeakPolarHBondContact OD1-CA 3.41Å; K772-Y776 HydrophobicContact CG-CE1 4.31Å; M774-Y776 VanDerWaalsContact C-N 3.31Å; M774-Y776 PolarHBondContact O-N 2.83Å
777	R	73.1	Confident	82.2	Confident	113 Å²	113	50.3 Å²	50.3	43%	0.426	26%	0.258	S	S	.	.			trans	-92.7	-5.2	-178	-64.2	-179.4	69.6	-162.7	0.2	115.6	N771 M774 S775 W819	N771-R777 PolarHBondContact OD1-N 3.13Å; M774-R777 WeakPolarHBondContact O-CB 3.35Å; M774-R777 VanDerWaalsContact O-CG 3.31Å; M774-R777 WeakPolarHBondContact O-CG 3.37Å; M774-R777 PolarHBondContact O-N 3.2Å; S775-R777 VanDerWaalsContact C-N 3.33Å; S775-R777 PolarHBondContact O-N 3.34Å; R777-W819 HydrophobicContact CB-CH2 4.2Å; R777-W819 HydrophobicContact CB-CZ2 4.5Å
778	L	82.1	Confident	81.5	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	26%	0.257	C	S	.	.			trans	-77.9	147.5	-179.6	-94.6	74.5	0	0	0	112.6	C770 N771 M774 M782 C784 I831	C770-L778 HydrophobicContact CB-CD2 4.27Å; N771-L778 HydrophobicContact CB-CB 4.25Å; N771-L778 WeakPolarHBondContact OD1-CB 3.43Å; N771-L778 PolarHBondContact OD1-N 2.9Å; M774-L778 HydrophobicContact CB-CD1 3.6Å; M774-L778 HydrophobicContact CG-CD1 3.79Å; L778-M782 HydrophobicContact CD2-CB 4.42Å; L778-M782 HydrophobicContact CG-CB 4.23Å; L778-C784 VanDerWaalsContact CD2-SG 3.56Å; L778-I831 HydrophobicContact CD1-CG1 4.38Å
779	T	84.6	Confident	80.5	Confident	35 Å²	35	49.7 Å²	49.7	22%	0.215	25%	0.249	C	C	.	.			trans	-108	163	168.2	73.9	0	0	0	0	110.3	N703 H767 K781 M782	N703-T779 HydrophobicContact CB-CG2 4.06Å; N703-T779 PolarHBondContact OD1-OG1 2.9Å; H767-T779 PolarHBondContact CE1-O 3.07Å; H767-T779 VanDerWaalsContact CE1-O 3.32Å; T779-K781 PolarHBondContact O-N 3.02Å; T779-K781 PolarHBondContact OG1-N 3.06Å; T779-M782 PolarHBondContact O-N 3.33Å
780	S	83.2	Confident	79.6	Confident	94 Å²	94	47 Å²	47	66%	0.657	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.1	177.5	62.2	0	0	0	0	114.6	M782	S780-M782 VanDerWaalsContact C-N 3.33Å
781	K	87.6	Confident	78.7	Confident	57 Å²	57	50 Å²	50	25%	0.248	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	10.4	177.7	-56.6	-168.5	177.1	-166.9	0	113.4	N704 T779 T834 E837 F838	N704-K781 VanDerWaalsContact OD1-CD 3.26Å; N704-K781 WeakPolarHBondContact OD1-CD 3.29Å; N704-K781 PolarHBondContact OD1-NZ 2.81Å; T779-K781 PolarHBondContact O-N 3.02Å; T779-K781 PolarHBondContact OG1-N 3.06Å; K781-T834 PolarHBondContact O-N 2.73Å; K781-T834 PolarHBondContact O-OG1 2.92Å; K781-T834 VanDerWaalsContact O-OG1 3.13Å; K781-E837 HydrophobicContact CG-CB 4.41Å; K781-E837 HydrophobicContact CG-CG 4.42Å; K781-F838 HydrophobicContact CB-CE2 4.27Å; K781-F838 HydrophobicContact CB-CZ 4.26Å; K781-F838 HydrophobicContact CD-CE1 4.28Å; K781-F838 HydrophobicContact CD-CE2 4.27Å; K781-F838 HydrophobicContact CD-CZ 3.61Å
782	M	91.5	Very high	78	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144	177.3	-62.2	179.8	178.5	0	0	110.7	T701 F702 N703 H767 L778 T779 S780 I831 Y832 T834	T701-M782 VanDerWaalsContact O-CE 3.24Å; T701-M782 WeakPolarHBondContact O-CE 3.46Å; F702-M782 HydrophobicContact CB-CE 4.03Å; F702-M782 WeakPolarHBondContact O-CE 3.41Å; N703-M782 HydrophobicContact CB-CE 4.45Å; H767-M782 PolarHBondContact ND1-O 2.82Å; H767-M782 VanDerWaalsContact ND1-O 3.17Å; L778-M782 HydrophobicContact CD2-CB 4.42Å; L778-M782 HydrophobicContact CG-CB 4.23Å; T779-M782 PolarHBondContact O-N 3.33Å; S780-M782 VanDerWaalsContact C-N 3.33Å; M782-I831 HydrophobicContact CB-CG2 3.93Å; M782-I831 HydrophobicContact CG-CG2 4.16Å; M782-I831 HydrophobicContact SD-CG2 3.83Å; M782-Y832 WeakPolarHBondContact CA-O 3.46Å; M782-T834 PolarHBondContact N-OG1 3.35Å
783	F	91.9	Very high	77.8	Confident	17 Å²	17	45.9 Å²	45.9	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	167.7	165.6	71.1	-83.4	0	0	0	110	V733 I764 L803 A814 Y832 T834	V733-F783 HydrophobicContact CG2-CE1 4.47Å; V733-F783 HydrophobicContact CG2-CZ 4.49Å; I764-F783 HydrophobicContact CD1-CD2 3.93Å; I764-F783 HydrophobicContact CD1-CE2 3.55Å; F783-L803 HydrophobicContact CE2-CD1 3.72Å; F783-L803 HydrophobicContact CE2-CD2 4.15Å; F783-L803 HydrophobicContact CZ-CD1 3.96Å; F783-L803 HydrophobicContact CZ-CD2 4Å; F783-A814 WeakPolarHBondContact CE1-O 3.37Å; F783-Y832 HydrophobicContact CE2-CG 4.46Å; F783-Y832 HydrophobicContact CZ-CG 4.41Å; F783-Y832 PolarHBondContact N-O 2.81Å; F783-Y832 VanDerWaalsContact N-O 3.1Å; F783-Y832 PolarHBondContact O-N 2.89Å; F783-T834 HydrophobicContact CD1-CG2 4.35Å
784	C	89.9	Confident	77.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144	179.7	-59.7	0	0	0	0	110.9	I765 C770 L778 P829 G830	I765-C784 HydrophobicContact CB-CB 4.2Å; I765-C784 HydrophobicContact CD1-CB 4.48Å; I765-C784 PolarHBondContact N-O 3Å; C770-C784 HydrophobicContact CB-CB 3.58Å; C770-C784 WeakPolarHBondContact CB-SG 3.42Å; C770-C784 WeakPolarHBondContact SG-CB 3.2Å; C770-C784 CovalentContact SG-SG 2.01Å; C770-C784 PolarHBondContact SG-SG 3.5Å; L778-C784 VanDerWaalsContact CD2-SG 3.56Å; C784-P829 HydrophobicContact CB-CB 4.3Å; C784-P829 HydrophobicContact CB-CG 4.04Å; C784-G830 WeakPolarHBondContact CA-O 3.3Å
785	A	89.8	Confident	77.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.9	168.1	0	0	0	0	0	109.4	V739 V762 R763 I764 L803 G830 Y832	V739-A785 HydrophobicContact CG2-CB 4.26Å; V762-A785 HydrophobicContact CG2-CB 3.86Å; R763-A785 WeakPolarHBondContact O-CA 3.38Å; I764-A785 HydrophobicContact CD1-CB 4.05Å; A785-L803 HydrophobicContact CB-CD1 3.59Å; A785-G830 PolarHBondContact N-O 2.74Å; A785-G830 PolarHBondContact O-N 2.78Å; A785-Y832 HydrophobicContact CB-CD2 4.06Å; A785-Y832 HydrophobicContact CB-CE2 3.71Å
786	G	84.5	Confident	77.8	Confident	6 Å²	6	45.1 Å²	45.1	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	178.1	179.8	0	0	0	0	0	113.2	R763	R763-G786 PolarHBondContact O-N 2.87Å
787	V	77.9	Confident	77.8	Confident	54 Å²	54	37.7 Å²	37.7	33%	0.327	22%	0.219	S	C	.	.			trans	-104.3	113.1	172.7	179.9	0	0	0	0	108.5	K789 G790 V792	V787-K789 HydrophobicContact CG1-CB 4.11Å; V787-K789 PolarHBondContact O-N 3.15Å; V787-K789 VanDerWaalsContact O-N 3.15Å; V787-G790 WeakPolarHBondContact O-CA 3.16Å; V787-G790 PolarHBondContact O-N 3.48Å; V787-V792 HydrophobicContact CG2-CB 4.08Å
788	L	67.3	Low	78.3	Confident	59 Å²	59	33.1 Å²	33.1	31%	0.309	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.5	-175.3	-68.5	176.7	0	0	0	113.8	I765 L773 G790 R826 N827	I765-L788 HydrophobicContact CD1-CD2 3.89Å; I765-L788 HydrophobicContact CD1-CG 4.29Å; L773-L788 HydrophobicContact CD1-CD2 3.74Å; L788-G790 PolarHBondContact O-N 3.39Å; L788-R826 WeakPolarHBondContact O-CG 3.34Å; L788-N827 PolarHBondContact O-N 2.92Å; L788-N827 PolarHBondContact O-OD1 3.31Å
789	K	59.3	Low	78.6	Confident	80 Å²	80	33.5 Å²	33.5	35%	0.348	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.6	170.6	-163.7	177.4	-174.6	175.4	0	112.7	W468 N469 D470 V787	W468-K789 HydrophobicContact CD2-CD 4.41Å; W468-K789 HydrophobicContact CD2-CG 4.28Å; W468-K789 HydrophobicContact CE3-CB 4.09Å; W468-K789 HydrophobicContact CE3-CD 3.68Å; W468-K789 HydrophobicContact CE3-CG 3.91Å; W468-K789 HydrophobicContact CH2-CB 4.27Å; W468-K789 HydrophobicContact CZ3-CB 3.94Å; W468-K789 HydrophobicContact CZ3-CD 4.14Å; W468-K789 HydrophobicContact CZ3-CG 4.26Å; N469-K789 PolarHBondContact O-NZ 3.35Å; N469-K789 VanDerWaalsContact O-NZ 3.07Å; D470-K789 WeakPolarHBondContact OD1-CE 3.16Å; D470-K789 IonicContact OD1-NZ 2.62Å; D470-K789 PolarHBondContact OD1-NZ 2.8Å; V787-K789 HydrophobicContact CG1-CB 4.11Å; V787-K789 PolarHBondContact O-N 3.15Å; V787-K789 VanDerWaalsContact O-N 3.15Å
790	G	61.5	Low	78.9	Confident	14 Å²	14	31.9 Å²	31.9	14%	0.144	20%	0.197	C	C	.	.	S	Bend	trans	83.7	-175.4	-166.6	0	0	0	0	0	112	V787 L788 V792 A824	V787-G790 WeakPolarHBondContact O-CA 3.16Å; V787-G790 PolarHBondContact O-N 3.48Å; L788-G790 PolarHBondContact O-N 3.39Å; G790-V792 VanDerWaalsContact C-N 3.35Å; G790-V792 PolarHBondContact O-N 2.78Å; G790-A824 CarbonylContact C-O 3.41Å; G790-A824 VanDerWaalsContact CA-O 3.24Å; G790-A824 WeakPolarHBondContact CA-O 3.3Å
791	G	62.7	Low	79.3	Confident	63 Å²	63	27.4 Å²	27.4	65%	0.649	17%	0.165	S	C	*	.	S	Bend	trans	88.3	-21.5	178.2	0	0	0	0	0	116.1	A824	G791-A824 PolarHBondContact N-O 2.81Å
792	V	68.8	Low	79.7	Confident	19 Å²	19	24.7 Å²	24.7	12%	0.115	15%	0.154	C	C	.	.			trans	-138.2	118.7	177.5	-176.9	0	0	0	0	110	A760 V762 V787 G790	A760-V792 HydrophobicContact CB-CG1 3.52Å; V762-V792 HydrophobicContact CG1-CG1 4.04Å; V787-V792 HydrophobicContact CG2-CB 4.08Å; G790-V792 VanDerWaalsContact C-N 3.35Å; G790-V792 PolarHBondContact O-N 2.78Å
793	D	73.6	Confident	79.8	Confident	24 Å²	24	24.5 Å²	24.5	13%	0.128	15%	0.153	C	C	.	.			trans	-169.3	166.9	-174.6	-166.4	16.4	0	0	0	110.6	A824 G830	D793-A824 VanDerWaalsContact CB-CA 3.48Å; D793-A824 HydrophobicContact CB-CB 3.84Å; D793-A824 VanDerWaalsContact CB-N 3.27Å; D793-A824 PolarHBondContact OD2-N 3.29Å; D793-G830 WeakPolarHBondContact OD1-CA 3.15Å; D793-G830 PolarHBondContact OD1-N 2.77Å; D793-G830 VanDerWaalsContact OD1-N 3.14Å
794	A	75.6	Confident	79.8	Confident	13 Å²	13	23.7 Å²	23.7	11%	0.107	15%	0.149	C	C	.	.			trans	-79.2	149.5	168.8	0	0	0	0	0	110.8	I741 D798 V817	I741-A794 HydrophobicContact CD1-CB 4.1Å; A794-D798 HydrophobicContact CB-CB 4.15Å; A794-V817 HydrophobicContact CB-CG1 3.84Å; A794-V817 HydrophobicContact CB-CG2 4.22Å
795	C	79.8	Confident	79.8	Confident	12 Å²	12	23.8 Å²	23.8	8%	0.081	15%	0.15	C	C	.	.			trans	-138.5	-174	-175.9	-159.8	0	0	0	0	113.6	A746 G797 D798 C823	A746-C795 WeakPolarHBondContact O-CB 3.37Å; A746-C795 PolarHBondContact O-SG 3.31Å; A746-C795 VanDerWaalsContact O-SG 3.39Å; C795-G797 PolarHBondContact O-N 2.6Å; C795-G797 VanDerWaalsContact O-N 3.13Å; C795-D798 PolarHBondContact N-OD2 3.25Å; C795-D798 WeakPolarHBondContact O-CB 3.29Å; C795-D798 PolarHBondContact O-N 3.12Å; C795-C823 WeakPolarHBondContact CA-SG 3.26Å; C795-C823 HydrophobicContact CB-CB 3.63Å; C795-C823 WeakPolarHBondContact CB-SG 3.31Å; C795-C823 WeakPolarHBondContact SG-CB 3.29Å; C795-C823 CovalentContact SG-SG 2.04Å; C795-C823 PolarHBondContact SG-SG 2.97Å
796	Q	74.7	Confident	79.5	Confident	99 Å²	99	28.7 Å²	28.7	46%	0.463	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	118.9	-177.3	-66.6	86.4	41.3	0	0	110.9	G745 A746 C823	G745-Q796 CarbonylContact C-O 3.6Å; G745-Q796 WeakPolarHBondContact CA-O 3.27Å; A746-Q796 PolarHBondContact N-O 2.85Å; Q796-C823 PolarHBondContact NE2-SG 3.11Å
797	G	74.1	Confident	79.1	Confident	14 Å²	14	32 Å²	32	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	-25.3	-173.8	0	0	0	0	0	113.7	H634 C795 S799	H634-G797 PolarHBondContact NE2-O 3.3Å; H634-G797 VanDerWaalsContact NE2-O 3.07Å; C795-G797 PolarHBondContact O-N 2.6Å; C795-G797 VanDerWaalsContact O-N 3.13Å; G797-S799 VanDerWaalsContact C-N 3.26Å; G797-S799 PolarHBondContact O-N 3.13Å
798	D	83.2	Confident	78.7	Confident	18 Å²	18	32.2 Å²	32.2	10%	0.096	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.1	175.2	-57	-50.3	0	0	0	112.8	G743 W744 G745 A794 C795 G800 G801 V817	G743-D798 WeakPolarHBondContact CA-OD1 3.09Å; W744-D798 PolarHBondContact N-OD1 3.09Å; G745-D798 WeakPolarHBondContact CA-OD1 3.08Å; G745-D798 PolarHBondContact N-OD1 3.21Å; A794-D798 HydrophobicContact CB-CB 4.15Å; C795-D798 PolarHBondContact N-OD2 3.25Å; C795-D798 WeakPolarHBondContact O-CB 3.29Å; C795-D798 PolarHBondContact O-N 3.12Å; D798-G800 PolarHBondContact O-N 3.03Å; D798-G801 WeakPolarHBondContact O-CA 3.05Å; D798-G801 PolarHBondContact O-N 2.55Å; D798-V817 HydrophobicContact CB-CG1 4.4Å; D798-V817 WeakPolarHBondContact O-CB 3.26Å
799	S	88.8	Confident	78.7	Confident	23 Å²	23	36 Å²	36	16%	0.161	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.2	130.2	173.3	-73.3	0	0	0	0	112.9	C636 G637 H651 G797 G801	C636-S799 CarbonylContact C-O 3.5Å; C636-S799 WeakPolarHBondContact CA-O 3.21Å; C636-S799 WeakPolarHBondContact CB-O 3.11Å; G637-S799 PolarHBondContact N-O 2.84Å; H651-S799 PolarHBondContact CE1-OG 2.78Å; H651-S799 WeakPolarHBondContact NE2-CB 2.98Å; H651-S799 PolarHBondContact NE2-OG 2.97Å; G797-S799 VanDerWaalsContact C-N 3.26Å; G797-S799 PolarHBondContact O-N 3.13Å; S799-G801 PolarHBondContact O-N 2.93Å
800	G	90.3	Very high	79.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-8	-176.8	0	0	0	0	0	115.7	G637 A638 T648 D798 V817	G637-G800 CarbonylContact C-O 3.52Å; G637-G800 CarbonylContact O-C 3.51Å; G637-G800 WeakPolarHBondContact O-CA 3.42Å; A638-G800 WeakPolarHBondContact CA-O 3.38Å; T648-G800 WeakPolarHBondContact OG1-CA 3.29Å; D798-G800 PolarHBondContact O-N 3.03Å; G800-V817 PolarHBondContact N-O 3.03Å
801	G	92.8	Very high	80.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-68.4	161.8	172	0	0	0	0	0	113.4	D798 S799 V816 V817	D798-G801 WeakPolarHBondContact O-CA 3.05Å; D798-G801 PolarHBondContact O-N 2.55Å; S799-G801 PolarHBondContact O-N 2.93Å; G801-V816 WeakPolarHBondContact O-CA 3.37Å; G801-V817 WeakPolarHBondContact O-CG2 2.96Å; G801-V817 PolarHBondContact O-N 2.69Å
802	P	95.2	Very high	82.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.5	179.8	29.7	-32.4	0	0	0	112.6	S639 T742 N804 L813	S639-P802 WeakPolarHBondContact OG-CB 3.35Å; T742-P802 WeakPolarHBondContact OG1-CG 3.34Å; P802-N804 WeakPolarHBondContact CB-OD1 3.48Å; P802-N804 PolarHBondContact O-ND2 2.84Å; P802-L813 HydrophobicContact CB-CD1 3.43Å; P802-L813 VanDerWaalsContact CB-CD1 3.43Å
803	L	94.3	Very high	83.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.5	151.5	-178.6	157.8	0	0	0	107.7	V739 I741 I764 F783 A785 A814 G815 Y832	V739-L803 HydrophobicContact CB-CD2 3.79Å; V739-L803 HydrophobicContact CB-CG 4.24Å; V739-L803 HydrophobicContact CG1-CD2 4.02Å; V739-L803 HydrophobicContact CG2-CD1 3.96Å; V739-L803 HydrophobicContact CG2-CD2 3.78Å; V739-L803 HydrophobicContact CG2-CG 3.88Å; I741-L803 HydrophobicContact CG2-CB 4.15Å; I741-L803 HydrophobicContact CG2-CD1 4.11Å; I741-L803 HydrophobicContact CG2-CG 4.01Å; I764-L803 HydrophobicContact CD1-CD2 4.43Å; F783-L803 HydrophobicContact CE2-CD1 3.72Å; F783-L803 HydrophobicContact CE2-CD2 4.15Å; F783-L803 HydrophobicContact CZ-CD1 3.96Å; F783-L803 HydrophobicContact CZ-CD2 4Å; A785-L803 HydrophobicContact CB-CD1 3.59Å; L803-A814 HydrophobicContact CD2-CB 3.7Å; L803-A814 PolarHBondContact O-N 3.06Å; L803-A814 VanDerWaalsContact O-N 3.09Å; L803-G815 PolarHBondContact N-O 3.1Å; L803-G815 PolarHBondContact O-N 3.1Å; L803-Y832 HydrophobicContact CB-CD1 3.75Å; L803-Y832 HydrophobicContact CB-CE1 3.99Å; L803-Y832 HydrophobicContact CD1-CD1 3.53Å; L803-Y832 HydrophobicContact CD1-CD2 3.82Å; L803-Y832 HydrophobicContact CD1-CE1 3.62Å; L803-Y832 HydrophobicContact CD1-CE2 3.95Å; L803-Y832 HydrophobicContact CD1-CG 3.66Å; L803-Y832 HydrophobicContact CG-CD1 4.3Å; L803-Y832 HydrophobicContact CG-CE1 4.38Å
804	N	92.3	Very high	84.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.3	-169.1	-43.8	-97.8	0	0	0	109.5	W623 I724 V739 F740 P802 M811	W623-N804 PolarHBondContact NE1-OD1 3.33Å; I724-N804 HydrophobicContact CD1-CB 4.5Å; I724-N804 WeakPolarHBondContact CD1-OD1 3.22Å; V739-N804 WeakPolarHBondContact CA-O 3.34Å; V739-N804 WeakPolarHBondContact CB-O 3.38Å; F740-N804 HydrophobicContact CB-CB 4.4Å; F740-N804 PolarHBondContact N-O 2.96Å; F740-N804 PolarHBondContact O-N 3.12Å; F740-N804 PolarHBondContact O-ND2 3.36Å; P802-N804 WeakPolarHBondContact CB-OD1 3.48Å; P802-N804 PolarHBondContact O-ND2 2.84Å; N804-M811 HydrophobicContact CB-CE 3.46Å; N804-M811 VanDerWaalsContact CB-CE 3.46Å
805	I	89	Confident	85.2	Confident	2 Å²	2	27 Å²	27	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.4	171.7	-170.1	159.6	0	0	0	109.4	V733 P734 E737 V739 M811 L812 A814	V733-I805 HydrophobicContact CG1-CD1 4.02Å; P734-I805 HydrophobicContact CG-CD1 4.2Å; E737-I805 HydrophobicContact CG-CD1 3.85Å; E737-I805 HydrophobicContact CG-CG1 4.37Å; V739-I805 HydrophobicContact CG1-CB 3.87Å; V739-I805 HydrophobicContact CG1-CD1 3.91Å; V739-I805 HydrophobicContact CG1-CG1 3.88Å; I805-M811 CarbonylContact O-C 3.56Å; I805-M811 WeakPolarHBondContact O-CA 3.35Å; I805-L812 HydrophobicContact CG2-CB 3.73Å; I805-L812 HydrophobicContact CG2-CD1 4.48Å; I805-L812 HydrophobicContact CG2-CG 4.46Å; I805-L812 PolarHBondContact N-O 3.12Å; I805-L812 PolarHBondContact O-N 3.45Å; I805-A814 HydrophobicContact CB-CB 4.13Å; I805-A814 HydrophobicContact CG2-CB 3.71Å
806	L	84.1	Confident	85.9	Confident	103 Å²	103	26.4 Å²	26.4	54%	0.539	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.8	176.3	177.8	64.7	0	0	0	108.9	M811	L806-M811 HydrophobicContact CB-CE 4.33Å; L806-M811 HydrophobicContact CB-SD 3.73Å; L806-M811 HydrophobicContact CD1-SD 3.61Å; L806-M811 HydrophobicContact CG-SD 4.25Å
807	E	75.3	Confident	86.9	Confident	75 Å²	75	22.2 Å²	22.2	35%	0.35	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	110.6	177.9	-164.6	86.2	-133.2	0	0	107.7	Y731 D809 C810 L812	Y731-E807 VanDerWaalsContact CE2-OE2 3.27Å; Y731-E807 WeakPolarHBondContact CE2-OE2 3.42Å; Y731-E807 PolarHBondContact OH-OE2 3.44Å; E807-D809 PolarHBondContact O-N 2.9Å; E807-C810 PolarHBondContact N-O 3.46Å; E807-C810 PolarHBondContact O-N 3.46Å; E807-C810 VanDerWaalsContact O-O 3.04Å; E807-L812 HydrophobicContact CB-CD1 3.7Å; E807-L812 HydrophobicContact CB-CG 3.96Å; E807-L812 HydrophobicContact CG-CD1 4.04Å
808	G	70.8	Confident	87.7	Confident	58 Å²	58	21.7 Å²	21.7	60%	0.598	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-128.3	-169.1	0	0	0	0	0	112.2
809	D	67.1	Low	87.9	Confident	138 Å²	138	22.2 Å²	22.2	74%	0.738	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	5.7	175.5	-87.2	-32.6	0	0	0	113.3	E807	E807-D809 PolarHBondContact O-N 2.9Å
810	C	78.1	Confident	87.6	Confident	7 Å²	7	22.8 Å²	22.8	5%	0.047	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.3	-172.3	-72.2	0	0	0	0	112.8	C582 E807	C582-C810 PolarHBondContact O-SG 2.96Å; C582-C810 VanDerWaalsContact O-SG 3.41Å; E807-C810 PolarHBondContact N-O 3.46Å; E807-C810 PolarHBondContact O-N 3.46Å; E807-C810 VanDerWaalsContact O-O 3.04Å
811	M	87.4	Confident	86.9	Confident	11 Å²	11	25 Å²	25	5%	0.054	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.6	170.6	-60.2	-61.1	-60.2	0	0	111.5	G600 W623 I724 C725 F740 N804 I805 L806	G600-M811 WeakPolarHBondContact CA-O 3.2Å; G600-M811 PolarHBondContact O-N 2.86Å; W623-M811 HydrophobicContact CH2-CB 3.59Å; W623-M811 HydrophobicContact CH2-CG 3.43Å; W623-M811 VanDerWaalsContact CH2-CG 3.43Å; W623-M811 HydrophobicContact CZ2-CB 3.65Å; W623-M811 HydrophobicContact CZ2-CG 3.62Å; W623-M811 HydrophobicContact CZ3-CB 4.39Å; I724-M811 WeakPolarHBondContact CG1-O 3.37Å; C725-M811 PolarHBondContact N-O 3.11Å; F740-M811 HydrophobicContact CD2-CE 4.35Å; N804-M811 HydrophobicContact CB-CE 3.46Å; N804-M811 VanDerWaalsContact CB-CE 3.46Å; I805-M811 CarbonylContact O-C 3.56Å; I805-M811 WeakPolarHBondContact O-CA 3.35Å; L806-M811 HydrophobicContact CB-CE 4.33Å; L806-M811 HydrophobicContact CB-SD 3.73Å; L806-M811 HydrophobicContact CD1-SD 3.61Å; L806-M811 HydrophobicContact CG-SD 4.25Å
812	L	90.4	Very high	85.8	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.9	172.6	-52.1	178.8	0	0	0	111.4	C725 Y731 I805 E807 A814	C725-L812 HydrophobicContact CB-CD2 3.56Å; C725-L812 WeakPolarHBondContact O-CA 3.38Å; Y731-L812 HydrophobicContact CE2-CD1 4.11Å; I805-L812 HydrophobicContact CG2-CB 3.73Å; I805-L812 HydrophobicContact CG2-CD1 4.48Å; I805-L812 HydrophobicContact CG2-CG 4.46Å; I805-L812 PolarHBondContact N-O 3.12Å; I805-L812 PolarHBondContact O-N 3.45Å; E807-L812 HydrophobicContact CB-CD1 3.7Å; E807-L812 HydrophobicContact CB-CG 3.96Å; E807-L812 HydrophobicContact CG-CD1 4.04Å; L812-A814 PolarHBondContact O-N 3.49Å
813	L	94.3	Very high	84.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	86.4	170.6	-173.9	65	0	0	0	110.1	V647 I724 C725 L726 P727 P802 G815 V835	V647-L813 HydrophobicContact CB-CD2 4.41Å; V647-L813 HydrophobicContact CG1-CD2 4.43Å; I724-L813 HydrophobicContact CD1-CB 3.86Å; I724-L813 HydrophobicContact CD1-CD1 4.17Å; I724-L813 HydrophobicContact CG1-CB 4.13Å; I724-L813 HydrophobicContact CG2-CB 3.81Å; I724-L813 HydrophobicContact CG2-CD1 4.43Å; I724-L813 HydrophobicContact CG2-CD2 4.19Å; I724-L813 HydrophobicContact CG2-CG 4.37Å; C725-L813 PolarHBondContact O-N 2.95Å; L726-L813 HydrophobicContact CD2-CB 4.38Å; L726-L813 HydrophobicContact CD2-CD2 3.97Å; P727-L813 WeakPolarHBondContact CD-O 3.42Å; P727-L813 WeakPolarHBondContact CG-O 3.44Å; P802-L813 HydrophobicContact CB-CD1 3.43Å; P802-L813 VanDerWaalsContact CB-CD1 3.43Å; L813-G815 WeakPolarHBondContact CD1-O 3.26Å; L813-V835 HydrophobicContact CD2-CG1 4.33Å; L813-V835 HydrophobicContact CD2-CG2 4.3Å; L813-V835 HydrophobicContact CG-CG1 4.45Å; L813-V835 HydrophobicContact CG-CG2 4.16Å; L813-V835 WeakPolarHBondContact O-CB 3.16Å
814	A	92.4	Very high	83.5	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-35.6	179.4	0	0	0	0	0	112.6	V733 F783 L803 I805 L812 V835	V733-A814 HydrophobicContact CG1-CB 4.3Å; V733-A814 HydrophobicContact CG2-CB 3.95Å; F783-A814 WeakPolarHBondContact CE1-O 3.37Å; L803-A814 HydrophobicContact CD2-CB 3.7Å; L803-A814 PolarHBondContact O-N 3.06Å; L803-A814 VanDerWaalsContact O-N 3.09Å; I805-A814 HydrophobicContact CB-CB 4.13Å; I805-A814 HydrophobicContact CG2-CB 3.71Å; L812-A814 PolarHBondContact O-N 3.49Å; A814-V835 PolarHBondContact O-N 2.85Å
815	G	94.3	Very high	82.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	167.8	-178.5	0	0	0	0	0	115.1	L803 L813 T833	L803-G815 PolarHBondContact N-O 3.1Å; L803-G815 PolarHBondContact O-N 3.1Å; L813-G815 WeakPolarHBondContact CD1-O 3.26Å; G815-T833 VanDerWaalsContact CA-O 3.26Å; G815-T833 WeakPolarHBondContact CA-O 3.33Å
816	V	96.1	Very high	81.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.1	171.5	178.2	0	0	0	0	108.6	V647 A649 G801 S818 Y832 T833 V835	V647-V816 HydrophobicContact CG1-CG2 3.8Å; A649-V816 HydrophobicContact CB-CG1 4.24Å; G801-V816 WeakPolarHBondContact O-CA 3.37Å; V816-S818 PolarHBondContact O-N 3.09Å; V816-Y832 CarbonylContact O-C 3.52Å; V816-Y832 VanDerWaalsContact O-CA 3.26Å; V816-Y832 WeakPolarHBondContact O-CA 3.42Å; V816-T833 PolarHBondContact N-O 2.86Å; V816-T833 PolarHBondContact O-N 2.86Å; V816-V835 HydrophobicContact CG2-CG2 3.76Å
817	V	94.9	Very high	81	Confident	11 Å²	11	35.7 Å²	35.7	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	120.5	177.5	179.6	0	0	0	0	109.7	A794 D798 G800 G801 Y832	A794-V817 HydrophobicContact CB-CG1 3.84Å; A794-V817 HydrophobicContact CB-CG2 4.22Å; D798-V817 HydrophobicContact CB-CG1 4.4Å; D798-V817 WeakPolarHBondContact O-CB 3.26Å; G800-V817 PolarHBondContact N-O 3.03Å; G801-V817 WeakPolarHBondContact O-CG2 2.96Å; G801-V817 PolarHBondContact O-N 2.69Å; V817-Y832 HydrophobicContact CB-CD1 4.5Å; V817-Y832 HydrophobicContact CB-CE1 4.35Å; V817-Y832 HydrophobicContact CG2-CD1 4.16Å; V817-Y832 HydrophobicContact CG2-CE1 3.7Å
818	S	91	Very high	81.2	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-67.9	-175	-179.2	0	0	0	0	112.9	H651 D705 V816 I831	H651-S818 PolarHBondContact CE1-O 3.38Å; D705-S818 WeakPolarHBondContact CB-OG 3.07Å; D705-S818 WeakPolarHBondContact OD2-CA 3.42Å; D705-S818 WeakPolarHBondContact OD2-CB 3.24Å; D705-S818 PolarHBondContact OD2-OG 2.65Å; V816-S818 PolarHBondContact O-N 3.09Å; S818-I831 WeakPolarHBondContact CB-O 3.49Å; S818-I831 PolarHBondContact N-O 3.1Å; S818-I831 VanDerWaalsContact N-O 3.08Å
819	W	86.3	Confident	81.8	Confident	29 Å²	29	32 Å²	32	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	170.9	-176.9	68.3	-80.7	0	0	0	113.4	F702 M774 R777 I831	F702-W819 VanDerWaalsContact CB-CD1 3.42Å; F702-W819 HydrophobicContact CB-CG 4.15Å; F702-W819 HydrophobicContact CD1-CB 4.21Å; F702-W819 HydrophobicContact CD1-CG 4.47Å; F702-W819 HydrophobicContact CD2-CB 4.37Å; F702-W819 HydrophobicContact CD2-CD2 4.45Å; F702-W819 HydrophobicContact CD2-CG 4.09Å; F702-W819 HydrophobicContact CE1-CB 4.43Å; F702-W819 HydrophobicContact CG-CB 4.18Å; F702-W819 AromaticContact CG-CD1 3.74Å; F702-W819 AromaticContact CG-CG 3.97Å; F702-W819 HydrophobicContact CG-CG 3.97Å; M774-W819 HydrophobicContact CE-CE3 4.38Å; M774-W819 HydrophobicContact CE-CH2 3.58Å; M774-W819 HydrophobicContact CE-CZ3 3.42Å; M774-W819 VanDerWaalsContact CE-CZ3 3.42Å; R777-W819 HydrophobicContact CB-CH2 4.2Å; R777-W819 HydrophobicContact CB-CZ2 4.5Å; W819-I831 HydrophobicContact CD2-CB 4.3Å; W819-I831 HydrophobicContact CD2-CD1 4.06Å; W819-I831 HydrophobicContact CD2-CG1 4.41Å; W819-I831 HydrophobicContact CE3-CD1 4.03Å; W819-I831 HydrophobicContact CG-CB 4.34Å; W819-I831 HydrophobicContact CH2-CD1 4.2Å; W819-I831 HydrophobicContact CZ2-CD1 4.23Å; W819-I831 HydrophobicContact CZ2-CG1 4.13Å; W819-I831 HydrophobicContact CZ2-CG2 4.44Å; W819-I831 HydrophobicContact CZ3-CD1 4.11Å; W819-I831 PolarHBondContact N-O 2.99Å; W819-I831 WeakPolarHBondContact O-CA 3.36Å; W819-I831 WeakPolarHBondContact O-CB 3.48Å; W819-I831 WeakPolarHBondContact O-CD1 3.32Å; W819-I831 PolarHBondContact O-N 2.84Å
820	G	83.6	Confident	82.9	Confident	34 Å²	34	25.7 Å²	25.7	35%	0.351	14%	0.137	S	C	.	.			trans	-163.6	157.8	178	0	0	0	0	0	112.8	G822	G820-G822 PolarHBondContact O-N 2.88Å; G820-G822 VanDerWaalsContact O-N 3.07Å
821	D	75.4	Confident	83.5	Confident	46 Å²	46	25.4 Å²	25.4	25%	0.246	14%	0.135	C	C	.	.	S	Bend	trans	-84.3	55.4	178.9	-92.3	-5.4	0	0	0	111.4	M774 R825 K828	M774-D821 HydrophobicContact CE-CB 3.89Å; M774-D821 VanDerWaalsContact CE-CG 3.42Å; M774-D821 WeakPolarHBondContact CE-OD2 3.25Å; D821-R825 VanDerWaalsContact O-CD 3.32Å; D821-R825 WeakPolarHBondContact O-CD 3.47Å; D821-R825 PolarHBondContact O-NH1 2.82Å; D821-K828 HydrophobicContact CB-CB 4.42Å; D821-K828 HydrophobicContact CB-CD 3.77Å; D821-K828 HydrophobicContact CB-CG 4.12Å; D821-K828 WeakPolarHBondContact OD2-CE 3.33Å; D821-K828 IonicContact OD2-NZ 2.81Å; D821-K828 PolarHBondContact OD2-NZ 2.81Å
822	G	70.6	Confident	83.9	Confident	17 Å²	17	24.9 Å²	24.9	18%	0.175	13%	0.133	C	C	.	.	S	Bend	trans	100.2	-163.9	-164.2	0	0	0	0	0	111.1	G820	G820-G822 PolarHBondContact O-N 2.88Å; G820-G822 VanDerWaalsContact O-N 3.07Å
823	C	72.4	Confident	84.1	Confident	9 Å²	9	24.7 Å²	24.7	6%	0.061	13%	0.132	C	C	.	.	S	Bend	trans	-126.6	135.9	174.9	-47.1	0	0	0	0	110.7	E749 C795 Q796 R825	E749-C823 HydrophobicContact CB-CB 4.14Å; C795-C823 WeakPolarHBondContact CA-SG 3.26Å; C795-C823 HydrophobicContact CB-CB 3.63Å; C795-C823 WeakPolarHBondContact CB-SG 3.31Å; C795-C823 WeakPolarHBondContact SG-CB 3.29Å; C795-C823 CovalentContact SG-SG 2.04Å; C795-C823 PolarHBondContact SG-SG 2.97Å; Q796-C823 PolarHBondContact NE2-SG 3.11Å; C823-R825 PolarHBondContact O-N 2.85Å
824	A	67.5	Low	84.1	Confident	33 Å²	33	25.4 Å²	25.4	27%	0.273	14%	0.136	S	C	.	.	S	Bend	trans	57	23	170.2	0	0	0	0	0	114.4	G790 G791 D793	G790-A824 CarbonylContact C-O 3.41Å; G790-A824 VanDerWaalsContact CA-O 3.24Å; G790-A824 WeakPolarHBondContact CA-O 3.3Å; G791-A824 PolarHBondContact N-O 2.81Å; D793-A824 VanDerWaalsContact CB-CA 3.48Å; D793-A824 HydrophobicContact CB-CB 3.84Å; D793-A824 VanDerWaalsContact CB-N 3.27Å; D793-A824 PolarHBondContact OD2-N 3.29Å
825	R	70.2	Confident	84.2	Confident	120 Å²	120	25.4 Å²	25.4	45%	0.453	14%	0.136	S	C	.	.			trans	-81.2	144.1	178.1	-67.3	177.7	-178.1	179.6	-7.9	110.2	E749 D821 C823 N827 K828	E749-R825 VanDerWaalsContact CD-NH2 3.34Å; E749-R825 IonicContact OE1-CZ 3.2Å; E749-R825 IonicContact OE1-NE 3.38Å; E749-R825 IonicContact OE1-NH2 3.25Å; E749-R825 PolarHBondContact OE1-NH2 3.16Å; E749-R825 IonicContact OE2-CZ 2.68Å; E749-R825 IonicContact OE2-NE 3.7Å; E749-R825 PolarHBondContact OE2-NE 2.88Å; E749-R825 IonicContact OE2-NH2 2.66Å; E749-R825 PolarHBondContact OE2-NH2 2.84Å; D821-R825 VanDerWaalsContact O-CD 3.32Å; D821-R825 WeakPolarHBondContact O-CD 3.47Å; D821-R825 PolarHBondContact O-NH1 2.82Å; C823-R825 PolarHBondContact O-N 2.85Å; R825-N827 PolarHBondContact O-N 2.87Å; R825-K828 HydrophobicContact CB-CB 4.03Å; R825-K828 HydrophobicContact CB-CG 4.36Å; R825-K828 PolarHBondContact O-N 2.82Å; R825-K828 VanDerWaalsContact O-N 3.11Å
826	R	70	Confident	84	Confident	75 Å²	75	25.6 Å²	25.6	28%	0.283	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	135.3	177.4	-168.5	173.6	-175.5	-171.4	-0.4	111.1	D466 D470 L788 K828	D466-R826 IonicContact OD1-CZ 2.68Å; D466-R826 IonicContact OD1-NH1 3.8Å; D466-R826 IonicContact OD1-NH2 2.64Å; D466-R826 PolarHBondContact OD1-NH2 3.3Å; D466-R826 IonicContact OD2-CZ 3.81Å; D466-R826 IonicContact OD2-NH1 3.93Å; D466-R826 PolarHBondContact OD2-NH1 3.05Å; D466-R826 IonicContact OD2-NH2 2.77Å; D466-R826 PolarHBondContact OD2-NH2 2.6Å; D470-R826 IonicContact OD2-NH1 3.48Å; L788-R826 WeakPolarHBondContact O-CG 3.34Å; R826-K828 PolarHBondContact O-N 2.88Å
827	N	72.6	Confident	83.9	Confident	76 Å²	76	30.3 Å²	30.3	41%	0.406	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	17.4	-176.7	-59.8	-30.9	0	0	0	115.8	L773 L788 R825	L773-N827 HydrophobicContact CD2-CB 4.3Å; L788-N827 PolarHBondContact O-N 2.92Å; L788-N827 PolarHBondContact O-OD1 3.31Å; R825-N827 PolarHBondContact O-N 2.87Å
828	K	79.1	Confident	83.8	Confident	54 Å²	54	30 Å²	30	24%	0.235	16%	0.157	C	C	.	.			trans	-123.9	88.1	175.6	-68.4	-56	-166.5	170.5	0	109.9	L773 M774 D821 R825 R826	L773-K828 PolarHBondContact O-NZ 3.4Å; M774-K828 HydrophobicContact SD-CD 4.03Å; D821-K828 HydrophobicContact CB-CB 4.42Å; D821-K828 HydrophobicContact CB-CD 3.77Å; D821-K828 HydrophobicContact CB-CG 4.12Å; D821-K828 WeakPolarHBondContact OD2-CE 3.33Å; D821-K828 IonicContact OD2-NZ 2.81Å; D821-K828 PolarHBondContact OD2-NZ 2.81Å; R825-K828 HydrophobicContact CB-CB 4.03Å; R825-K828 HydrophobicContact CB-CG 4.36Å; R825-K828 PolarHBondContact O-N 2.82Å; R825-K828 VanDerWaalsContact O-N 3.11Å; R826-K828 PolarHBondContact O-N 2.88Å
829	P	85.1	Confident	83.8	Confident	3 Å²	3	32 Å²	32	2%	0.019	16%	0.164	C	C	.	.			trans	-76.5	157.7	176.8	33.7	-35.9	0	0	0	111.7	I765 C784 I831	I765-P829 HydrophobicContact CD1-CB 3.44Å; I765-P829 VanDerWaalsContact CD1-CB 3.44Å; I765-P829 HydrophobicContact CD1-CG 3.79Å; C784-P829 HydrophobicContact CB-CB 4.3Å; C784-P829 HydrophobicContact CB-CG 4.04Å; P829-I831 VanDerWaalsContact O-CD1 3.3Å; P829-I831 WeakPolarHBondContact O-CD1 3.46Å
830	G	88.8	Confident	83.9	Confident	4 Å²	4	33 Å²	33	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	149.1	167.1	0	0	0	0	0	112.6	C784 A785 D793 Y832	C784-G830 WeakPolarHBondContact CA-O 3.3Å; A785-G830 PolarHBondContact N-O 2.74Å; A785-G830 PolarHBondContact O-N 2.78Å; D793-G830 WeakPolarHBondContact OD1-CA 3.15Å; D793-G830 PolarHBondContact OD1-N 2.77Å; D793-G830 VanDerWaalsContact OD1-N 3.14Å; G830-Y832 VanDerWaalsContact C-CE2 3.43Å; G830-Y832 WeakPolarHBondContact O-CD2 3.35Å; G830-Y832 VanDerWaalsContact O-CE2 3.26Å; G830-Y832 WeakPolarHBondContact O-CE2 3.38Å
831	I	92	Very high	84.4	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	-180	-58.6	88.2	0	0	0	109	M774 L778 M782 S818 W819 P829	M774-I831 HydrophobicContact CE-CD1 3.59Å; M774-I831 HydrophobicContact CG-CD1 4.33Å; M774-I831 HydrophobicContact SD-CD1 4.14Å; L778-I831 HydrophobicContact CD1-CG1 4.38Å; M782-I831 HydrophobicContact CB-CG2 3.93Å; M782-I831 HydrophobicContact CG-CG2 4.16Å; M782-I831 HydrophobicContact SD-CG2 3.83Å; S818-I831 WeakPolarHBondContact CB-O 3.49Å; S818-I831 PolarHBondContact N-O 3.1Å; S818-I831 VanDerWaalsContact N-O 3.08Å; W819-I831 HydrophobicContact CD2-CB 4.3Å; W819-I831 HydrophobicContact CD2-CD1 4.06Å; W819-I831 HydrophobicContact CD2-CG1 4.41Å; W819-I831 HydrophobicContact CE3-CD1 4.03Å; W819-I831 HydrophobicContact CG-CB 4.34Å; W819-I831 HydrophobicContact CH2-CD1 4.2Å; W819-I831 HydrophobicContact CZ2-CD1 4.23Å; W819-I831 HydrophobicContact CZ2-CG1 4.13Å; W819-I831 HydrophobicContact CZ2-CG2 4.44Å; W819-I831 HydrophobicContact CZ3-CD1 4.11Å; W819-I831 PolarHBondContact N-O 2.99Å; W819-I831 WeakPolarHBondContact O-CA 3.36Å; W819-I831 WeakPolarHBondContact O-CB 3.48Å; W819-I831 WeakPolarHBondContact O-CD1 3.32Å; W819-I831 PolarHBondContact O-N 2.84Å; P829-I831 VanDerWaalsContact O-CD1 3.3Å; P829-I831 WeakPolarHBondContact O-CD1 3.46Å
832	Y	94.6	Very high	85.3	Confident	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.3	-171.6	-57.8	-98.6	0	0	0	110.2	I741 M782 F783 A785 L803 V816 V817 G830	I741-Y832 HydrophobicContact CG2-CE1 3.86Å; M782-Y832 WeakPolarHBondContact CA-O 3.46Å; F783-Y832 HydrophobicContact CE2-CG 4.46Å; F783-Y832 HydrophobicContact CZ-CG 4.41Å; F783-Y832 PolarHBondContact N-O 2.81Å; F783-Y832 VanDerWaalsContact N-O 3.1Å; F783-Y832 PolarHBondContact O-N 2.89Å; A785-Y832 HydrophobicContact CB-CD2 4.06Å; A785-Y832 HydrophobicContact CB-CE2 3.71Å; L803-Y832 HydrophobicContact CB-CD1 3.75Å; L803-Y832 HydrophobicContact CB-CE1 3.99Å; L803-Y832 HydrophobicContact CD1-CD1 3.53Å; L803-Y832 HydrophobicContact CD1-CD2 3.82Å; L803-Y832 HydrophobicContact CD1-CE1 3.62Å; L803-Y832 HydrophobicContact CD1-CE2 3.95Å; L803-Y832 HydrophobicContact CD1-CG 3.66Å; L803-Y832 HydrophobicContact CG-CD1 4.3Å; L803-Y832 HydrophobicContact CG-CE1 4.38Å; V816-Y832 CarbonylContact O-C 3.52Å; V816-Y832 VanDerWaalsContact O-CA 3.26Å; V816-Y832 WeakPolarHBondContact O-CA 3.42Å; V817-Y832 HydrophobicContact CB-CD1 4.5Å; V817-Y832 HydrophobicContact CB-CE1 4.35Å; V817-Y832 HydrophobicContact CG2-CD1 4.16Å; V817-Y832 HydrophobicContact CG2-CE1 3.7Å; G830-Y832 VanDerWaalsContact C-CE2 3.43Å; G830-Y832 WeakPolarHBondContact O-CD2 3.35Å; G830-Y832 VanDerWaalsContact O-CE2 3.26Å; G830-Y832 WeakPolarHBondContact O-CE2 3.38Å
833	T	94.9	Very high	86.3	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.9	172.6	-58.9	0	0	0	0	109.5	D705 I706 G815 V816 V835 F838	D705-T833 PolarHBondContact O-OG1 3.15Å; I706-T833 HydrophobicContact CB-CG2 4.26Å; G815-T833 VanDerWaalsContact CA-O 3.26Å; G815-T833 WeakPolarHBondContact CA-O 3.33Å; V816-T833 PolarHBondContact N-O 2.86Å; V816-T833 PolarHBondContact O-N 2.86Å; T833-V835 PolarHBondContact O-N 3.14Å; T833-F838 HydrophobicContact CG2-CD2 3.84Å; T833-F838 HydrophobicContact CG2-CE2 3.37Å; T833-F838 HydrophobicContact CG2-CZ 4.22Å
834	T	93.8	Very high	87.3	Confident	15 Å²	15	43.7 Å²	43.7	9%	0.092	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	109.4	179.8	-46.4	0	0	0	0	110.6	K781 M782 F783 S836 E837 F838	K781-T834 PolarHBondContact O-N 2.73Å; K781-T834 PolarHBondContact O-OG1 2.92Å; K781-T834 VanDerWaalsContact O-OG1 3.13Å; M782-T834 PolarHBondContact N-OG1 3.35Å; F783-T834 HydrophobicContact CD1-CG2 4.35Å; T834-S836 PolarHBondContact O-N 3.32Å; T834-E837 HydrophobicContact CG2-CG 3.87Å; T834-E837 WeakPolarHBondContact O-CB 3.35Å; T834-E837 PolarHBondContact O-N 2.86Å; T834-F838 WeakPolarHBondContact O-CD2 3.39Å
835	V	94.3	Very high	88.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-72.5	-31.4	-170.4	168.8	0	0	0	0	113.6	L726 P727 L813 A814 V816 T833 E837 F838 R839 I842	L726-V835 HydrophobicContact CD2-CG1 3.83Å; P727-V835 HydrophobicContact CG-CG1 4.25Å; L813-V835 HydrophobicContact CD2-CG1 4.33Å; L813-V835 HydrophobicContact CD2-CG2 4.3Å; L813-V835 HydrophobicContact CG-CG1 4.45Å; L813-V835 HydrophobicContact CG-CG2 4.16Å; L813-V835 WeakPolarHBondContact O-CB 3.16Å; A814-V835 PolarHBondContact O-N 2.85Å; V816-V835 HydrophobicContact CG2-CG2 3.76Å; T833-V835 PolarHBondContact O-N 3.14Å; V835-E837 VanDerWaalsContact C-N 3.31Å; V835-E837 PolarHBondContact O-N 2.73Å; V835-F838 PolarHBondContact O-N 2.74Å; V835-R839 PolarHBondContact O-N 3.46Å; V835-I842 HydrophobicContact CG1-CD1 4.18Å
836	S	91.3	Very high	89.4	Confident	5 Å²	5	39.4 Å²	39.4	4%	0.035	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.5	-39.2	176.3	44.8	0	0	0	0	112.7	N728 Y731 T834 F838 R839	N728-S836 VanDerWaalsContact O-CB 3.24Å; N728-S836 WeakPolarHBondContact O-CB 3.26Å; Y731-S836 VanDerWaalsContact O-CB 3.3Å; Y731-S836 WeakPolarHBondContact O-CB 3.13Å; Y731-S836 PolarHBondContact O-OG 3.11Å; T834-S836 PolarHBondContact O-N 3.32Å; S836-F838 PolarHBondContact O-N 3.49Å; S836-R839 VanDerWaalsContact O-CB 3.25Å; S836-R839 WeakPolarHBondContact O-CB 3.23Å; S836-R839 PolarHBondContact O-N 3.22Å
837	E	92.8	Very high	90	Very high	98 Å²	98	38.9 Å²	38.9	46%	0.458	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-59.5	-18	174	-67.1	-76.1	139.8	0	0	113.9	K781 T834 V835	K781-E837 HydrophobicContact CG-CB 4.41Å; K781-E837 HydrophobicContact CG-CG 4.42Å; T834-E837 HydrophobicContact CG2-CG 3.87Å; T834-E837 WeakPolarHBondContact O-CB 3.35Å; T834-E837 PolarHBondContact O-N 2.86Å; V835-E837 VanDerWaalsContact C-N 3.31Å; V835-E837 PolarHBondContact O-N 2.73Å
838	F	93.4	Very high	90.3	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.022	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-109.7	3.7	176.9	-61.5	-80.5	0	0	0	113.3	N704 I706 K781 T833 T834 V835 S836 G840 W841 I842	N704-F838 HydrophobicContact CB-CE1 3.85Å; N704-F838 HydrophobicContact CB-CZ 3.89Å; N704-F838 WeakPolarHBondContact OD1-CE1 3.4Å; I706-F838 HydrophobicContact CD1-CB 3.95Å; I706-F838 HydrophobicContact CD1-CD2 4.29Å; I706-F838 HydrophobicContact CD1-CG 4.18Å; I706-F838 HydrophobicContact CG2-CB 4.43Å; I706-F838 HydrophobicContact CG2-CD1 3.69Å; I706-F838 HydrophobicContact CG2-CD2 4.17Å; I706-F838 HydrophobicContact CG2-CE1 3.97Å; I706-F838 HydrophobicContact CG2-CE2 4.45Å; I706-F838 HydrophobicContact CG2-CG 3.81Å; I706-F838 HydrophobicContact CG2-CZ 4.36Å; K781-F838 HydrophobicContact CB-CE2 4.27Å; K781-F838 HydrophobicContact CB-CZ 4.26Å; K781-F838 HydrophobicContact CD-CE1 4.28Å; K781-F838 HydrophobicContact CD-CE2 4.27Å; K781-F838 HydrophobicContact CD-CZ 3.61Å; T833-F838 HydrophobicContact CG2-CD2 3.84Å; T833-F838 HydrophobicContact CG2-CE2 3.37Å; T833-F838 HydrophobicContact CG2-CZ 4.22Å; T834-F838 WeakPolarHBondContact O-CD2 3.39Å; V835-F838 PolarHBondContact O-N 2.74Å; S836-F838 PolarHBondContact O-N 3.49Å; F838-G840 VanDerWaalsContact C-N 3.29Å; F838-G840 PolarHBondContact O-N 3.36Å; F838-W841 HydrophobicContact CB-CE3 4.5Å; F838-W841 PolarHBondContact O-N 2.79Å; F838-I842 HydrophobicContact CB-CD1 4.43Å; F838-I842 WeakPolarHBondContact O-CG1 3.2Å; F838-I842 PolarHBondContact O-N 3.02Å
839	R	90.8	Very high	90.9	Very high	44 Å²	44	37 Å²	37	17%	0.166	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-41.2	-173.8	-172	62.5	179.2	104	-5.6	113	P727 A729 V835 S836 K843 V848	P727-R839 WeakPolarHBondContact O-CD 3.4Å; P727-R839 WeakPolarHBondContact O-CG 3.33Å; P727-R839 PolarHBondContact O-NE 2.99Å; A729-R839 HydrophobicContact CB-CB 4.2Å; V835-R839 PolarHBondContact O-N 3.46Å; S836-R839 VanDerWaalsContact O-CB 3.25Å; S836-R839 WeakPolarHBondContact O-CB 3.23Å; S836-R839 PolarHBondContact O-N 3.22Å; R839-K843 WeakPolarHBondContact O-CB 3.45Å; R839-K843 PolarHBondContact O-N 3.19Å; R839-V848 PolarHBondContact NH1-O 3Å; R839-V848 PolarHBondContact NH1-OXT 2.95Å; R839-V848 VanDerWaalsContact NH1-OXT 3.08Å; R839-V848 PolarHBondContact NH2-OXT 2.68Å
840	G	89.6	Confident	91.2	Very high	52 Å²	52	38.8 Å²	38.8	54%	0.536	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-43.2	175.2	0	0	0	0	0	113.3	F838 K843 E844	F838-G840 VanDerWaalsContact C-N 3.29Å; F838-G840 PolarHBondContact O-N 3.36Å; G840-K843 PolarHBondContact O-N 3.25Å; G840-E844 WeakPolarHBondContact O-CB 3.42Å; G840-E844 PolarHBondContact O-N 3.13Å
841	W	93.9	Very high	91.3	Very high	39 Å²	39	40.7 Å²	40.7	15%	0.148	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-38.5	178.1	176.3	76.8	0	0	0	112.4	I692 N694 I706 L708 F838 N845	I692-W841 HydrophobicContact CG2-CZ2 4.09Å; N694-W841 HydrophobicContact CB-CH2 4.28Å; N694-W841 HydrophobicContact CB-CZ2 4.15Å; I706-W841 HydrophobicContact CG1-CZ3 4.29Å; I706-W841 HydrophobicContact CG2-CE3 4.22Å; I706-W841 HydrophobicContact CG2-CH2 4.47Å; I706-W841 HydrophobicContact CG2-CZ3 3.83Å; L708-W841 HydrophobicContact CB-CH2 4.48Å; L708-W841 HydrophobicContact CD1-CE3 4.15Å; L708-W841 HydrophobicContact CD1-CH2 3.69Å; L708-W841 HydrophobicContact CD1-CZ2 4.21Å; L708-W841 HydrophobicContact CD1-CZ3 3.65Å; L708-W841 HydrophobicContact CG-CH2 3.77Å; L708-W841 HydrophobicContact CG-CZ3 3.7Å; F838-W841 HydrophobicContact CB-CE3 4.5Å; F838-W841 PolarHBondContact O-N 2.79Å; W841-N845 PolarHBondContact NE1-ND2 3.36Å; W841-N845 PolarHBondContact O-N 3.02Å; W841-N845 PolarHBondContact O-ND2 3.35Å
842	I	94.1	Very high	91.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-48	172.7	-63.6	168.8	0	0	0	109.7	I641 V647 I706 L708 L726 V835 F838 E844 N845 T846	I641-I842 HydrophobicContact CD1-CG2 3.79Å; V647-I842 HydrophobicContact CG2-CD1 4.49Å; I706-I842 HydrophobicContact CD1-CD1 4.15Å; L708-I842 HydrophobicContact CD2-CG1 4.37Å; L708-I842 HydrophobicContact CD2-CG2 4.27Å; L726-I842 HydrophobicContact CD1-CG2 3.79Å; L726-I842 HydrophobicContact CD2-CD1 4.33Å; V835-I842 HydrophobicContact CG1-CD1 4.18Å; F838-I842 HydrophobicContact CB-CD1 4.43Å; F838-I842 WeakPolarHBondContact O-CG1 3.2Å; F838-I842 PolarHBondContact O-N 3.02Å; I842-E844 PolarHBondContact O-N 3.41Å; I842-N845 PolarHBondContact O-N 3.19Å; I842-T846 HydrophobicContact CG2-CG2 4.34Å; I842-T846 WeakPolarHBondContact O-CB 3.47Å; I842-T846 WeakPolarHBondContact O-CG2 3.44Å; I842-T846 PolarHBondContact O-N 2.78Å; I842-T846 PolarHBondContact O-OG1 3.06Å
843	K	91.7	Very high	91.1	Very high	131 Å²	131	45.7 Å²	45.7	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-63.1	-41.2	-179.5	-171.2	172.9	-176.9	173.4	0	113	R839 G840 N845 G847 V848	R839-K843 WeakPolarHBondContact O-CB 3.45Å; R839-K843 PolarHBondContact O-N 3.19Å; G840-K843 PolarHBondContact O-N 3.25Å; K843-N845 VanDerWaalsContact C-N 3.35Å; K843-N845 PolarHBondContact O-N 2.66Å; K843-G847 WeakPolarHBondContact O-CA 3.41Å; K843-G847 PolarHBondContact O-N 2.92Å; K843-V848 VanDerWaalsContact CA-O 3.23Å; K843-V848 WeakPolarHBondContact CA-O 3.4Å; K843-V848 WeakPolarHBondContact CB-O 3.31Å
844	E	92.1	Very high	90.8	Very high	160 Å²	160	48.6 Å²	48.6	75%	0.748	27%	0.274	S	S	*	.	H	α-helix	trans	-60.9	-40.7	176.2	-175.4	-178.7	-163.5	0	0	112.5	G840 I842	G840-E844 WeakPolarHBondContact O-CB 3.42Å; G840-E844 PolarHBondContact O-N 3.13Å; I842-E844 PolarHBondContact O-N 3.41Å
845	N	92.4	Very high	90.6	Very high	43 Å²	43	51 Å²	51	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-87.3	-29.5	-174.9	-76.2	-89.6	0	0	0	114	W645 I692 L708 W841 I842 K843	W645-N845 WeakPolarHBondContact CZ2-O 3.15Å; I692-N845 HydrophobicContact CD1-CB 4.31Å; L708-N845 HydrophobicContact CD1-CB 3.6Å; W841-N845 PolarHBondContact NE1-ND2 3.36Å; W841-N845 PolarHBondContact O-N 3.02Å; W841-N845 PolarHBondContact O-ND2 3.35Å; I842-N845 PolarHBondContact O-N 3.19Å; K843-N845 VanDerWaalsContact C-N 3.35Å; K843-N845 PolarHBondContact O-N 2.66Å
846	T	90.1	Very high	90.3	Very high	20 Å²	20	54.9 Å²	54.9	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-113.4	-24.8	-171	68.6	0	0	0	0	114.7	I641 W645 L708 I842 V848	I641-T846 HydrophobicContact CD1-CG2 4.31Å; W645-T846 HydrophobicContact CB-CG2 4.23Å; W645-T846 HydrophobicContact CD2-CG2 3.47Å; W645-T846 VanDerWaalsContact CD2-CG2 3.47Å; W645-T846 HydrophobicContact CE3-CG2 3.66Å; W645-T846 HydrophobicContact CG-CG2 3.75Å; W645-T846 HydrophobicContact CH2-CG2 4.3Å; W645-T846 HydrophobicContact CZ2-CG2 4.18Å; W645-T846 HydrophobicContact CZ3-CG2 4.07Å; W645-T846 PolarHBondContact NE1-O 2.75Å; L708-T846 HydrophobicContact CD1-CG2 3.76Å; L708-T846 HydrophobicContact CD2-CG2 3.85Å; L708-T846 HydrophobicContact CG-CG2 4.32Å; I842-T846 HydrophobicContact CG2-CG2 4.34Å; I842-T846 WeakPolarHBondContact O-CB 3.47Å; I842-T846 WeakPolarHBondContact O-CG2 3.44Å; I842-T846 PolarHBondContact O-N 2.78Å; I842-T846 PolarHBondContact O-OG1 3.06Å; T846-V848 WeakPolarHBondContact OG1-CB 3.5Å; T846-V848 PolarHBondContact OG1-N 3.03Å; T846-V848 VanDerWaalsContact OG1-N 3.12Å
847	G	82.8	Confident	90.2	Very high	64 Å²	64	59.1 Å²	59.1	66%	0.66	33%	0.332	S	S	*	.			trans	78.6	-2.5	-168.6	0	0	0	0	0	115.2	K843	K843-G847 WeakPolarHBondContact O-CA 3.41Å; K843-G847 PolarHBondContact O-N 2.92Å
848	V	79.1	Confident	90	Very high	53 Å²	53	55.5 Å²	55.5	32%	0.321	32%	0.32	S	S	.	.			trans	-88.7	0	179.9	-171.9	0	0	0	0	110.6	L726 R839 K843 T846	L726-V848 HydrophobicContact CD1-CG1 4.21Å; R839-V848 PolarHBondContact NH1-O 3Å; R839-V848 PolarHBondContact NH1-OXT 2.95Å; R839-V848 VanDerWaalsContact NH1-OXT 3.08Å; R839-V848 PolarHBondContact NH2-OXT 2.68Å; K843-V848 VanDerWaalsContact CA-O 3.23Å; K843-V848 WeakPolarHBondContact CA-O 3.4Å; K843-V848 WeakPolarHBondContact CB-O 3.31Å; T846-V848 WeakPolarHBondContact OG1-CB 3.5Å; T846-V848 PolarHBondContact OG1-N 3.03Å; T846-V848 VanDerWaalsContact OG1-N 3.12Å

Retrieved 848 of 848 residues in 556.8 ms (Link to these results)

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