A0A087Y0A3_POEFO Loading...

Metalloendopeptidase

AlphaFold DB , UniProt , Accession A0A087Y0A3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 970 aa.

						>A0A087Y0A3_POEFO|A0A087Y0A3
MDLSARCLFLLSCLGVILAIDLEAIDPGYYVEPSATSEAIDYKDPCKAAAFLGDIALDEEDLKSFKVDRIIDLAQRTVQTINHTDADSVSSSDPNRQAAQRRKRAATSRPERVWPEGVIPYVISGNFSGSQRAIFRQAMRHWEKHTCVTFIERTQEESYIVFTYRPCGCCSYVGRRGGGPQAISIGKNCDKFGIVVHELGHVIGFWHEHTRPDRDEHVSIIRDNIQPGQEYNFLKMESGEVDSLGEVYDFDSIMHYARNTFSRGIFLDTILPRYDVNGVRPPIGQRTRLSKGDIAQARKLYKCSKCGDSLQDSSGNFSSPGFPNGYSAYMHCIWRISVTPGEKIILNFTSMDLYRSHLCWYDHVEIRDGYWRKAPLKGRFCGDKLPEPIISTDSRLWIEFRSSSNWVGKGFSAVYEAICGGEVKRDNGQIQSPNYPDDYRPNKVCIWKISVTQGFHVGLTFQSFEIERHDSCAYDYLEVRDGLSETSPLLGRFCGYDKPDDIKTSSNHLWMKFVSDGSVNKAGFAANFFKETDECSKPDNGRCEQRCVNTLGSYKCACDPGYELAADKRSCEAACGGFITKLNGSITSPGWPREYPPNKNCIWQLVAPTQYRITLLFDVFETEGNDVCKYDYVEVRSGLSADSRLHGKFCGAEKPEAITSQYNNMRIEFKSDNTVSKKGFKAQFFSDKDECSKENGGCQHECVNTFGSYSCQCRSGFVLHENKHDCKEAGCDHTVNSVSGVITSPNWPDKYPSKKACTWALTTTPGHRIKIAFNEIDMEAHLECAYDHIEIYDGRDAKASSLGRFCGSKKPPPIISSGNKLFIRFFSDNSVQKKGFEASHTAECGGRLKAEVKTKDLFSHAQFGDNNYPGASDCQWVISAEKGYGVELIFQTFEIEEEADCGYDYMELFDGADTKSPRLGRYCGSGPPEEIYSAGDSIVIKFHSDDTINKKGFHVRYTSTKFQDTLHSRK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	29.3	Very low	237 Å²	237	152.7 Å²	152.7	100%	1.167	80%	0.804	S	S	*	*				0	97.1	0	-74.7	178.1	158	0	0	107.1
2	D	29.8	Very low	29.1	Very low	135 Å²	135	149.2 Å²	149.2	72%	0.722	80%	0.801	S	S	*	*			cis	-159.3	122.3	-10.1	-106.7	-2.3	0	0	0	102.5
3	L	28.9	Very low	28.9	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	80%	0.797	S	S	*	*				62	131.1	108.3	-90.9	91.6	0	0	0	113.4
4	S	30.7	Very low	28.7	Very low	101 Å²	101	147.8 Å²	147.8	71%	0.706	80%	0.803	S	S	*	*			cis	175.9	149.8	23.4	160.5	0	0	0	0	111.3
5	A	31.6	Very low	28.5	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	80%	0.803	S	S	*	*			trans	66.3	153.5	142	0	0	0	0	0	120.9
6	R	34.8	Very low	28.6	Very low	229 Å²	229	141.5 Å²	141.5	86%	0.864	80%	0.797	S	S	*	*			cis	154.7	139.4	-21.5	-111	-169.9	178.4	-170.9	-0.1	105.4
7	C	26.4	Very low	28.4	Very low	107 Å²	107	141.9 Å²	141.9	72%	0.723	80%	0.795	S	S	*	*			trans	72.4	146.3	152.6	-68.9	0	0	0	0	117.3
8	L	26.1	Very low	28.3	Very low	159 Å²	159	143.4 Å²	143.4	83%	0.832	80%	0.8	S	S	*	*			cis	-165.9	157	30.6	-122.7	139.1	0	0	0	111.8
9	F	26.6	Very low	28.4	Very low	182 Å²	182	140.3 Å²	140.3	80%	0.798	80%	0.795	S	S	*	*			trans	-72.1	156.9	172.3	-99.5	-105.2	0	0	0	114.9
10	L	26.6	Very low	28.3	Very low	149 Å²	149	141.4 Å²	141.4	78%	0.78	80%	0.796	S	S	*	*				172.1	117.4	119.4	-93.1	156.5	0	0	0	116.3
11	L	27.5	Very low	28.3	Very low	139 Å²	139	142.2 Å²	142.2	73%	0.728	80%	0.799	S	S	*	*			trans	20.5	135.8	137.1	-82.8	143.5	0	0	0	125.2
12	S	27.1	Very low	28	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	78%	0.784	S	S	*	*				154.3	112.6	115.9	56	0	0	0	0	111.6
13	C	26	Very low	27.9	Very low	111 Å²	111	141.6 Å²	141.6	75%	0.75	79%	0.793	S	S	*	*				100.4	118	84	-90.4	0	0	0	0	116.1
14	L	26.7	Very low	27.8	Very low	168 Å²	168	139 Å²	139	88%	0.88	79%	0.794	S	S	*	*			trans	72.9	121.4	144.7	-81.2	139.6	0	0	0	122.9
15	G	26.3	Very low	27.6	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	80%	0.799	S	S	*	*			trans	175.1	69.6	165.3	0	0	0	0	0	116.6
16	V	29.1	Very low	27.3	Very low	118 Å²	118	145.2 Å²	145.2	72%	0.715	81%	0.806	S	S	*	*			trans	6.2	123.5	152.7	-178.6	0	0	0	0	121.5
17	I	26.3	Very low	27.2	Very low	148 Å²	148	139.5 Å²	139.5	76%	0.759	80%	0.798	S	S	*	*			trans	54.5	117.5	140.1	-51.9	168.2	0	0	0	121.3
18	L	25.8	Very low	27.2	Very low	170 Å²	170	137.8 Å²	137.8	89%	0.89	80%	0.799	S	S	*	*				-169.3	137.9	114.6	-100	162.8	0	0	0	110.8
19	A	30.5	Very low	27.2	Very low	84 Å²	84	141.1 Å²	141.1	69%	0.694	80%	0.802	S	S	*	*			trans	-60.3	153.9	-175.3	0	0	0	0	0	114.4
20	I	27.2	Very low	26.9	Very low	161 Å²	161	143.5 Å²	143.5	83%	0.826	81%	0.808	S	S	*	*			trans	-170.6	127.8	136.7	-85	139.5	0	0	0	107.9
21	D	28.4	Very low	27	Very low	159 Å²	159	142.2 Å²	142.2	85%	0.85	81%	0.806	S	S	*	*			trans	-59	132.6	171.9	-68.8	-54.8	0	0	0	112.6
22	L	26.1	Very low	26.8	Very low	166 Å²	166	144.4 Å²	144.4	87%	0.869	81%	0.812	S	S	*	*			trans	-153	113.4	155	-123.2	116.4	0	0	0	110.6
23	E	27	Very low	27.7	Very low	194 Å²	194	144 Å²	144	91%	0.907	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61	140.7	174.8	-75.1	176.7	143.4	0	0	112.1
24	A	27.2	Very low	27.7	Very low	101 Å²	101	144.6 Å²	144.6	84%	0.835	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77.8	143.8	178.5	0	0	0	0	0	112.3
25	I	26.9	Very low	27.9	Very low	160 Å²	160	140.9 Å²	140.9	82%	0.821	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68.7	139.9	166.8	-66.2	159.6	0	0	0	109.1
26	D	25.8	Very low	28.1	Very low	158 Å²	158	143.6 Å²	143.6	85%	0.845	81%	0.807	S	S	*	*			trans	-138.6	145.2	152.7	-147.9	31.8	0	0	0	110.9
27	P	32.2	Very low	28.2	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	81%	0.814	S	S	*	*			trans	-104.2	170.2	-163.9	40.9	-32.7	0	0	0	113.8
28	G	25.1	Very low	28.7	Very low	72 Å²	72	146 Å²	146	74%	0.742	82%	0.821	S	S	*	*			trans	97.4	83.7	145.3	0	0	0	0	0	117.6
29	Y	26	Very low	29	Very low	228 Å²	228	142.2 Å²	142.2	89%	0.894	81%	0.814	S	S	*	*			trans	-91.2	118.4	161	-111.6	-92.2	0	0	0	110
30	Y	21.6	Very low	29.1	Very low	233 Å²	233	143.7 Å²	143.7	91%	0.914	81%	0.809	S	S	*	*			trans	-98.9	136.5	160.7	-94.3	-87.5	0	0	0	109.2
31	V	27.3	Very low	29.9	Very low	122 Å²	122	142.2 Å²	142.2	74%	0.739	80%	0.803	S	S	*	*			trans	-108.2	135.9	-179.4	171.1	0	0	0	0	108.6
32	E	24.8	Very low	31.1	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	78%	0.778	S	S	*	*				178.9	166.2	129.6	-104.4	-149.6	174.8	0	0	115.3
33	P	45.1	Very low	32.8	Very low	103 Å²	103	136.8 Å²	136.8	67%	0.669	76%	0.763	S	S	*	*				-131.1	170.8	-118.8	42.6	-25.4	0	0	0	116.9
34	S	25.7	Very low	34.7	Very low	123 Å²	123	128.7 Å²	128.7	86%	0.86	73%	0.726	S	S	*	*			trans	-172.4	138.9	141.7	61.8	0	0	0	0	114.7
35	A	31.7	Very low	36.6	Very low	89 Å²	89	123.9 Å²	123.9	74%	0.736	69%	0.686	S	S	*	*			trans	-73.6	166.7	-175	0	0	0	0	0	114.6
36	T	30.5	Very low	38.6	Very low	134 Å²	134	117.5 Å²	117.5	82%	0.822	66%	0.656	S	S	*	*				-165.6	138.6	52.4	41	0	0	0	0	114.3
37	S	31.4	Very low	40.4	Very low	122 Å²	122	118 Å²	118	85%	0.853	65%	0.65	S	S	*	*			trans	-156.2	114.3	131	67.6	0	0	0	0	107.8
38	E	35.9	Very low	41.9	Very low	194 Å²	194	113.7 Å²	113.7	91%	0.907	62%	0.624	S	S	*	*			trans	-90.8	123.9	-175.8	-76.7	-175.8	156.6	0	0	111.6
39	A	32.2	Very low	43.1	Very low	91 Å²	91	113.8 Å²	113.8	75%	0.752	62%	0.618	S	S	*	*				161.7	91.3	115.9	0	0	0	0	0	110.5
40	I	33.7	Very low	44.8	Very low	116 Å²	116	103.9 Å²	103.9	60%	0.595	58%	0.583	S	S	*	*				-151.8	86.6	128.7	-58.9	-167.7	0	0	0	107.4	Y42	I40-Y42 HydrophobicContact CB-CE2 4.44Å; I40-Y42 HydrophobicContact CD1-CE2 4.25Å; I40-Y42 HydrophobicContact CG2-CD1 3.56Å; I40-Y42 HydrophobicContact CG2-CD2 3.15Å; I40-Y42 HydrophobicContact CG2-CE1 3.45Å; I40-Y42 VanDerWaalsContact CG2-CE1 3.45Å; I40-Y42 HydrophobicContact CG2-CE2 3.03Å; I40-Y42 HydrophobicContact CG2-CG 3.44Å; I40-Y42 VanDerWaalsContact CG2-CG 3.44Å
41	D	43.5	Very low	47	Very low	130 Å²	130	95.7 Å²	95.7	70%	0.695	55%	0.552	S	S	*	*			trans	-95.2	82.2	164.7	-174.5	18.7	0	0	0	109.8	K43	D41-K43 PolarHBondContact O-N 2.79Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-K43 PolarHBondContact OD1-N 3.4Å
42	Y	53.3	Low	48.7	Very low	81 Å²	81	91 Å²	91	32%	0.318	52%	0.523	S	S	.	.			trans	-80.8	74.9	167	-60.4	-34.3	0	0	0	108.4	I40 D44 P180	I40-Y42 HydrophobicContact CB-CE2 4.44Å; I40-Y42 HydrophobicContact CD1-CE2 4.25Å; I40-Y42 HydrophobicContact CG2-CD1 3.56Å; I40-Y42 HydrophobicContact CG2-CD2 3.15Å; I40-Y42 HydrophobicContact CG2-CE1 3.45Å; I40-Y42 VanDerWaalsContact CG2-CE1 3.45Å; I40-Y42 HydrophobicContact CG2-CE2 3.03Å; I40-Y42 HydrophobicContact CG2-CG 3.44Å; I40-Y42 VanDerWaalsContact CG2-CG 3.44Å; Y42-D44 VanDerWaalsContact C-N 3.33Å; Y42-D44 WeakPolarHBondContact O-CA 3.16Å; Y42-D44 PolarHBondContact O-N 3.39Å; Y42-P180 HydrophobicContact CD1-CB 4.06Å; Y42-P180 HydrophobicContact CD1-CG 3.08Å; Y42-P180 HydrophobicContact CD2-CB 4.48Å; Y42-P180 HydrophobicContact CD2-CG 4.25Å; Y42-P180 HydrophobicContact CE1-CB 4.26Å; Y42-P180 HydrophobicContact CE1-CG 3.17Å; Y42-P180 HydrophobicContact CE2-CG 4.31Å; Y42-P180 HydrophobicContact CG-CB 4.16Å; Y42-P180 HydrophobicContact CG-CG 3.66Å
43	K	61.1	Low	51.1	Low	129 Å²	129	83.2 Å²	83.2	56%	0.561	49%	0.492	S	S	*	.			trans	11.1	79	-176.8	-74.5	-171.9	178.7	179.7	0	111.5	D41 P45 Y172 R176	D41-K43 PolarHBondContact O-N 2.79Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-K43 PolarHBondContact OD1-N 3.4Å; K43-P45 WeakPolarHBondContact O-CD 3.28Å; K43-Y172 PolarHBondContact O-OH 3.39Å; K43-R176 VanDerWaalsContact CD-NH1 3.3Å
44	D	67.1	Low	52.3	Low	24 Å²	24	79.6 Å²	79.6	13%	0.128	47%	0.467	C	S	.	.			trans	-52.1	117.2	-169	-178.2	-3.8	0	0	0	109.3	Y42 C46 K47 A48 R165	Y42-D44 VanDerWaalsContact C-N 3.33Å; Y42-D44 WeakPolarHBondContact O-CA 3.16Å; Y42-D44 PolarHBondContact O-N 3.39Å; D44-C46 PolarHBondContact O-N 3.15Å; D44-C46 VanDerWaalsContact O-N 3.1Å; D44-C46 VanDerWaalsContact OD1-CB 3.23Å; D44-C46 WeakPolarHBondContact OD1-CB 3.49Å; D44-C46 PolarHBondContact OD1-N 3.02Å; D44-K47 HydrophobicContact CB-CB 3.94Å; D44-K47 HydrophobicContact CB-CD 3.99Å; D44-K47 HydrophobicContact CB-CG 3.92Å; D44-K47 CarbonylContact O-C 3.35Å; D44-K47 WeakPolarHBondContact O-CA 3.33Å; D44-K47 PolarHBondContact O-N 3.17Å; D44-K47 WeakPolarHBondContact OD2-CE 3.27Å; D44-K47 WeakPolarHBondContact OD2-CG 3.34Å; D44-A48 PolarHBondContact O-N 2.97Å; D44-R165 IonicContact OD1-NE 2.68Å
45	P	67.7	Low	54.6	Low	0 Å²	0	73.9 Å²	73.9	0%	0	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-60.8	-23	-179.1	24.8	-34	0	0	0	110.7	K43 A48 F51 A56 Y172 A182	K43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-A48 WeakPolarHBondContact O-CB 3.49Å; P45-F51 WeakPolarHBondContact O-CE1 3.46Å; P45-F51 WeakPolarHBondContact O-CZ 3.42Å; P45-A56 HydrophobicContact CB-CB 3.69Å; P45-Y172 HydrophobicContact CB-CD2 4.43Å; P45-Y172 HydrophobicContact CB-CE2 3.75Å; P45-Y172 HydrophobicContact CG-CE2 4.47Å; P45-A182 HydrophobicContact CG-CB 3.93Å
46	C	68.6	Low	56.5	Low	27 Å²	27	69.7 Å²	69.7	18%	0.182	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-77.3	-17.4	172.6	-58.7	0	0	0	0	114.5	D44 F51 R165 C167	D44-C46 PolarHBondContact O-N 3.15Å; D44-C46 VanDerWaalsContact O-N 3.1Å; D44-C46 VanDerWaalsContact OD1-CB 3.23Å; D44-C46 WeakPolarHBondContact OD1-CB 3.49Å; D44-C46 PolarHBondContact OD1-N 3.02Å; C46-F51 WeakPolarHBondContact O-CZ 3.47Å; C46-R165 WeakPolarHBondContact SG-CB 3.3Å; C46-C167 WeakPolarHBondContact CA-SG 3.32Å; C46-C167 HydrophobicContact CB-CB 3.53Å; C46-C167 WeakPolarHBondContact CB-SG 3.17Å; C46-C167 WeakPolarHBondContact SG-CB 3.21Å; C46-C167 CovalentContact SG-SG 2.01Å; C46-C167 PolarHBondContact SG-SG 2.95Å
47	K	64.3	Low	58.5	Low	168 Å²	168	63.5 Å²	63.5	73%	0.73	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-113.1	15.6	176.4	-56.4	177.1	-177.5	-177.1	0	112.2	D44	D44-K47 HydrophobicContact CB-CB 3.94Å; D44-K47 HydrophobicContact CB-CD 3.99Å; D44-K47 HydrophobicContact CB-CG 3.92Å; D44-K47 CarbonylContact O-C 3.35Å; D44-K47 WeakPolarHBondContact O-CA 3.33Å; D44-K47 PolarHBondContact O-N 3.17Å; D44-K47 WeakPolarHBondContact OD2-CE 3.27Å; D44-K47 WeakPolarHBondContact OD2-CG 3.34Å
48	A	62.7	Low	60.2	Low	17 Å²	17	58.6 Å²	58.6	14%	0.14	32%	0.319	C	S	.	.			trans	-51.7	143	170.2	0	0	0	0	0	109.8	D44 P45 A50 F51 A56 L57	D44-A48 PolarHBondContact O-N 2.97Å; P45-A48 WeakPolarHBondContact O-CB 3.49Å; A48-A50 PolarHBondContact O-N 3.27Å; A48-F51 HydrophobicContact CB-CE2 4.29Å; A48-F51 HydrophobicContact CB-CZ 4.2Å; A48-A56 HydrophobicContact CB-CB 4.11Å; A48-L57 WeakPolarHBondContact CB-O 3.37Å
49	A	50.4	Low	61.7	Low	75 Å²	75	55.6 Å²	55.6	62%	0.62	31%	0.305	S	S	*	.	S	Bend	trans	-63.6	-13.1	-176.3	0	0	0	0	0	112.8	L62	A49-L62 HydrophobicContact CB-CD1 3.29Å
50	A	62.7	Low	63.5	Low	20 Å²	20	57.2 Å²	57.2	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	168.4	167.7	0	0	0	0	0	112.3	A48 L57 L62	A48-A50 PolarHBondContact O-N 3.27Å; A50-L57 HydrophobicContact CB-CB 4.29Å; A50-L57 HydrophobicContact CB-CD1 4Å; A50-L57 PolarHBondContact O-N 3Å; A50-L62 HydrophobicContact CB-CD1 4.28Å; A50-L62 HydrophobicContact CB-CD2 3.62Å; A50-L62 HydrophobicContact CB-CG 4.29Å
51	F	67.7	Low	65.2	Low	61 Å²	61	52 Å²	52	27%	0.268	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.8	175.2	-74.5	-92.7	0	0	0	111.8	P45 C46 A48 Y231	P45-F51 WeakPolarHBondContact O-CE1 3.46Å; P45-F51 WeakPolarHBondContact O-CZ 3.42Å; C46-F51 WeakPolarHBondContact O-CZ 3.47Å; A48-F51 HydrophobicContact CB-CE2 4.29Å; A48-F51 HydrophobicContact CB-CZ 4.2Å; F51-Y231 WeakPolarHBondContact O-CD2 3.32Å; F51-Y231 WeakPolarHBondContact O-CE2 3.42Å
52	L	63.5	Low	66.1	Low	22 Å²	22	47.7 Å²	47.7	12%	0.115	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	86	164.5	-85.9	165.1	0	0	0	107.7	D54 I55 L57 F65 Y231	L52-D54 PolarHBondContact O-N 3.32Å; L52-I55 HydrophobicContact CB-CB 4.39Å; L52-I55 PolarHBondContact N-O 2.78Å; L52-I55 VanDerWaalsContact O-CB 3.28Å; L52-I55 WeakPolarHBondContact O-CB 3.3Å; L52-I55 PolarHBondContact O-N 2.95Å; L52-L57 HydrophobicContact CB-CD1 4.36Å; L52-L57 HydrophobicContact CD1-CD1 3.69Å; L52-L57 HydrophobicContact CD1-CD2 4.27Å; L52-L57 HydrophobicContact CD1-CG 4.49Å; L52-L57 HydrophobicContact CG-CD1 3.89Å; L52-F65 HydrophobicContact CD1-CE2 4.43Å; L52-F65 HydrophobicContact CD1-CZ 4.08Å; L52-Y231 HydrophobicContact CD2-CD2 3.96Å; L52-Y231 WeakPolarHBondContact CD2-O 3.31Å
53	G	74.9	Confident	66.6	Low	21 Å²	21	50.8 Å²	50.8	22%	0.216	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	-122.7	-176.1	0	0	0	0	0	111.9	I55 N232 Y256	G53-I55 VanDerWaalsContact C-N 3.28Å; G53-N232 WeakPolarHBondContact CA-OD1 3.17Å; G53-N232 PolarHBondContact N-OD1 3.32Å; G53-Y256 WeakPolarHBondContact CA-OH 3.47Å
54	D	70.3	Confident	66.4	Low	28 Å²	28	46 Å²	46	15%	0.15	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	9	170.5	49.6	12.9	0	0	0	112.8	L52 C169 C170 S171 H197 H201 H207	L52-D54 PolarHBondContact O-N 3.32Å; D54-C169 VanDerWaalsContact CB-O 3.24Å; D54-C169 WeakPolarHBondContact CB-O 3.22Å; D54-C170 CarbonylContact O-C 3.54Å; D54-C170 WeakPolarHBondContact O-CA 3.37Å; D54-C170 WeakPolarHBondContact O-CB 3.34Å; D54-S171 PolarHBondContact O-N 2.87Å; D54-H197 IonicContact OD1-NE2 2.8Å; D54-H197 IonicContact OD2-CD2 3.21Å; D54-H197 IonicContact OD2-NE2 3.69Å; D54-H197 PolarHBondContact OD2-NE2 2.88Å; D54-H197 VanDerWaalsContact OD2-NE2 3.08Å; D54-H201 IonicContact OD1-NE2 3.46Å; D54-H201 PolarHBondContact OD1-NE2 2.63Å; D54-H207 IonicContact OD1-CE1 2.76Å; D54-H207 PolarHBondContact OD1-CE1 3.31Å; D54-H207 IonicContact OD1-NE2 3.3Å; D54-H207 PolarHBondContact OD1-NE2 3.2Å; D54-H207 IonicContact OD2-NE2 2.84Å
55	I	73.5	Confident	65.9	Low	3 Å²	3	46.4 Å²	46.4	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.8	175.2	-55.7	175.9	0	0	0	111.1	L52 G53 L57 S171 V173 H201 W206	L52-I55 HydrophobicContact CB-CB 4.39Å; L52-I55 PolarHBondContact N-O 2.78Å; L52-I55 VanDerWaalsContact O-CB 3.28Å; L52-I55 WeakPolarHBondContact O-CB 3.3Å; L52-I55 PolarHBondContact O-N 2.95Å; G53-I55 VanDerWaalsContact C-N 3.28Å; I55-L57 HydrophobicContact CG2-CD2 3.95Å; I55-S171 WeakPolarHBondContact CA-O 3.42Å; I55-V173 HydrophobicContact CD1-CG2 4.08Å; I55-V173 HydrophobicContact CG1-CG2 4.37Å; I55-V173 HydrophobicContact CG2-CG2 3.65Å; I55-H201 VanDerWaalsContact CD1-CE1 3.49Å; I55-H201 WeakPolarHBondContact CD1-CE1 3.5Å; I55-H201 VanDerWaalsContact CG1-CE1 3.43Å; I55-H201 WeakPolarHBondContact CG1-CE1 3.38Å; I55-W206 HydrophobicContact CD1-CE3 3.57Å; I55-W206 HydrophobicContact CD1-CZ3 3.91Å; I55-W206 HydrophobicContact CG2-CZ3 3.96Å
56	A	72.5	Confident	65.1	Low	1 Å²	1	55 Å²	55	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.6	171.1	0	0	0	0	0	111.1	P45 A48 S171 Y172	P45-A56 HydrophobicContact CB-CB 3.69Å; A48-A56 HydrophobicContact CB-CB 4.11Å; A56-S171 PolarHBondContact N-O 3.23Å; A56-Y172 HydrophobicContact CB-CD1 3.78Å; A56-Y172 HydrophobicContact CB-CE1 3.57Å; A56-Y172 HydrophobicContact CB-CE2 4.34Å; A56-Y172 HydrophobicContact CB-CG 4.25Å; A56-Y172 VanDerWaalsContact O-CD1 3.27Å; A56-Y172 WeakPolarHBondContact O-CD1 3.24Å
57	L	71.3	Confident	64.1	Low	3 Å²	3	54.7 Å²	54.7	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139	-177.1	-56.8	178	0	0	0	112.4	A48 A50 L52 I55 D61 F65 W206	A48-L57 WeakPolarHBondContact CB-O 3.37Å; A50-L57 HydrophobicContact CB-CB 4.29Å; A50-L57 HydrophobicContact CB-CD1 4Å; A50-L57 PolarHBondContact O-N 3Å; L52-L57 HydrophobicContact CB-CD1 4.36Å; L52-L57 HydrophobicContact CD1-CD1 3.69Å; L52-L57 HydrophobicContact CD1-CD2 4.27Å; L52-L57 HydrophobicContact CD1-CG 4.49Å; L52-L57 HydrophobicContact CG-CD1 3.89Å; I55-L57 HydrophobicContact CG2-CD2 3.95Å; L57-D61 HydrophobicContact CB-CB 3.96Å; L57-D61 HydrophobicContact CD2-CB 4.15Å; L57-F65 HydrophobicContact CD1-CE2 4.07Å; L57-F65 HydrophobicContact CD2-CE2 4.04Å; L57-W206 HydrophobicContact CD2-CH2 4.25Å; L57-W206 HydrophobicContact CD2-CZ3 4.33Å
58	D	67.7	Low	63	Low	20 Å²	20	53.8 Å²	53.8	11%	0.107	28%	0.283	C	S	.	.			trans	-101.5	-178.3	175.9	72.9	23.3	0	0	0	114.9	E60 D61 L62 R176	D58-E60 PolarHBondContact O-N 3.42Å; D58-E60 WeakPolarHBondContact OD1-CA 3.49Å; D58-E60 WeakPolarHBondContact OD1-CB 3.41Å; D58-E60 PolarHBondContact OD1-N 2.92Å; D58-D61 PolarHBondContact N-OD2 2.97Å; D58-D61 WeakPolarHBondContact O-CB 3.36Å; D58-D61 PolarHBondContact O-N 3.28Å; D58-D61 PolarHBondContact OD1-N 2.88Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 3.46Å; D58-R176 VanDerWaalsContact CG-NH2 3.33Å; D58-R176 IonicContact OD2-CZ 3.4Å; D58-R176 VanDerWaalsContact OD2-CZ 3.32Å; D58-R176 IonicContact OD2-NE 3.63Å; D58-R176 PolarHBondContact OD2-NE 2.91Å; D58-R176 IonicContact OD2-NH2 3.04Å; D58-R176 PolarHBondContact OD2-NH2 2.92Å
59	E	67.6	Low	62.2	Low	131 Å²	131	63 Å²	63	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-29.8	-179.8	-69.8	-173.2	-171.5	0	0	113.4	K63	E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 WeakPolarHBondContact O-CD 3.38Å; E59-K63 WeakPolarHBondContact O-CG 3.46Å; E59-K63 PolarHBondContact O-N 2.79Å; E59-K63 IonicContact OE2-NZ 3.98Å
60	E	68.8	Low	62.1	Low	124 Å²	124	62.2 Å²	62.2	58%	0.579	30%	0.299	S	S	*	.	H	α-helix	trans	-76.3	-38.2	177.1	-66	-174.4	176.8	0	0	110.9	D58 L62 K63 S64	D58-E60 PolarHBondContact O-N 3.42Å; D58-E60 WeakPolarHBondContact OD1-CA 3.49Å; D58-E60 WeakPolarHBondContact OD1-CB 3.41Å; D58-E60 PolarHBondContact OD1-N 2.92Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-K63 PolarHBondContact O-N 3.48Å; E60-S64 WeakPolarHBondContact O-CB 3.42Å; E60-S64 PolarHBondContact O-N 2.85Å; E60-S64 PolarHBondContact O-OG 3.08Å
61	D	69.4	Low	61.2	Low	6 Å²	6	66.4 Å²	66.4	3%	0.032	32%	0.317	C	S	.	.	H	α-helix	trans	-53.1	-54.3	166.9	-70.9	-51.1	0	0	0	109.5	L57 D58 K63 S64 F65 R112	L57-D61 HydrophobicContact CB-CB 3.96Å; L57-D61 HydrophobicContact CD2-CB 4.15Å; D58-D61 PolarHBondContact N-OD2 2.97Å; D58-D61 WeakPolarHBondContact O-CB 3.36Å; D58-D61 PolarHBondContact O-N 3.28Å; D58-D61 PolarHBondContact OD1-N 2.88Å; D61-K63 PolarHBondContact O-N 3.19Å; D61-S64 PolarHBondContact O-N 2.63Å; D61-S64 PolarHBondContact O-OG 3.5Å; D61-F65 VanDerWaalsContact C-CD2 3.46Å; D61-F65 HydrophobicContact CB-CD2 4.27Å; D61-F65 HydrophobicContact CB-CE2 3.93Å; D61-F65 WeakPolarHBondContact O-CD2 3.33Å; D61-F65 PolarHBondContact O-N 2.79Å; D61-R112 IonicContact OD1-CZ 2.74Å; D61-R112 IonicContact OD1-NH1 2.69Å; D61-R112 PolarHBondContact OD1-NH1 2.95Å; D61-R112 IonicContact OD1-NH2 3.09Å; D61-R112 PolarHBondContact OD1-NH2 2.77Å; D61-R112 IonicContact OD2-NH2 2.67Å
62	L	63.7	Low	59.9	Low	40 Å²	40	66.8 Å²	66.8	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-40.8	-178.2	-74.7	164.7	0	0	0	114	A49 A50 D58 E60 S64 F65 V67	A49-L62 HydrophobicContact CB-CD1 3.29Å; A50-L62 HydrophobicContact CB-CD1 4.28Å; A50-L62 HydrophobicContact CB-CD2 3.62Å; A50-L62 HydrophobicContact CB-CG 4.29Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 3.46Å; E60-L62 VanDerWaalsContact C-N 3.34Å; L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.11Å; L62-F65 PolarHBondContact O-N 3.22Å; L62-V67 HydrophobicContact CD2-CG2 4.45Å
63	K	62.5	Low	58.9	Low	147 Å²	147	72 Å²	72	64%	0.639	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-35.6	174.7	-76.4	166.7	-171.8	163.8	0	111.7	E59 E60 D61	E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 WeakPolarHBondContact O-CD 3.38Å; E59-K63 WeakPolarHBondContact O-CG 3.46Å; E59-K63 PolarHBondContact O-N 2.79Å; E59-K63 IonicContact OE2-NZ 3.98Å; E60-K63 PolarHBondContact O-N 3.48Å; D61-K63 PolarHBondContact O-N 3.19Å
64	S	57.5	Low	57.2	Low	29 Å²	29	74.9 Å²	74.9	20%	0.203	37%	0.371	C	S	.	.	H	α-helix	trans	-74.5	-31.5	178.4	67.9	0	0	0	0	113.7	E60 D61 L62 K66 R109	E60-S64 WeakPolarHBondContact O-CB 3.42Å; E60-S64 PolarHBondContact O-N 2.85Å; E60-S64 PolarHBondContact O-OG 3.08Å; D61-S64 PolarHBondContact O-N 2.63Å; D61-S64 PolarHBondContact O-OG 3.5Å; L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.11Å; S64-K66 VanDerWaalsContact C-N 3.26Å; S64-K66 PolarHBondContact O-N 3.32Å; S64-R109 PolarHBondContact OG-NH2 2.78Å
65	F	56.6	Low	55.7	Low	31 Å²	31	80.3 Å²	80.3	14%	0.136	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.8	179.7	-72	-63.2	0	0	0	115.1	L52 L57 D61 L62 V67 W206 M236	L52-F65 HydrophobicContact CD1-CE2 4.43Å; L52-F65 HydrophobicContact CD1-CZ 4.08Å; L57-F65 HydrophobicContact CD1-CE2 4.07Å; L57-F65 HydrophobicContact CD2-CE2 4.04Å; D61-F65 VanDerWaalsContact C-CD2 3.46Å; D61-F65 HydrophobicContact CB-CD2 4.27Å; D61-F65 HydrophobicContact CB-CE2 3.93Å; D61-F65 WeakPolarHBondContact O-CD2 3.33Å; D61-F65 PolarHBondContact O-N 2.79Å; L62-F65 PolarHBondContact O-N 3.22Å; F65-V67 VanDerWaalsContact C-N 3.33Å; F65-V67 HydrophobicContact CB-CG2 3.19Å; F65-V67 HydrophobicContact CG-CG2 4.39Å; F65-V67 WeakPolarHBondContact O-CG2 3.19Å; F65-V67 PolarHBondContact O-N 2.75Å; F65-W206 HydrophobicContact CZ-CH2 4.26Å; F65-M236 HydrophobicContact CE1-CE 3.58Å; F65-M236 HydrophobicContact CE1-SD 3.83Å; F65-M236 HydrophobicContact CZ-CE 3.56Å; F65-M236 HydrophobicContact CZ-SD 3.98Å
66	K	51.3	Low	53.9	Low	181 Å²	181	88.9 Å²	88.9	79%	0.787	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	36.9	61.5	-175.7	-74.2	-169.5	177.5	-176.1	0	112.6	S64 D68	S64-K66 VanDerWaalsContact C-N 3.26Å; S64-K66 PolarHBondContact O-N 3.32Å; K66-D68 PolarHBondContact O-N 3.35Å; K66-D68 VanDerWaalsContact O-N 3.1Å
67	V	47.5	Very low	52.2	Low	21 Å²	21	94.9 Å²	94.9	13%	0.127	47%	0.465	C	S	.	.			trans	-90.8	71.3	-165.6	-172.9	0	0	0	0	111.7	L62 F65 I70 I71	L62-V67 HydrophobicContact CD2-CG2 4.45Å; F65-V67 VanDerWaalsContact C-N 3.33Å; F65-V67 HydrophobicContact CB-CG2 3.19Å; F65-V67 HydrophobicContact CG-CG2 4.39Å; F65-V67 WeakPolarHBondContact O-CG2 3.19Å; F65-V67 PolarHBondContact O-N 2.75Å; V67-I70 HydrophobicContact CG1-CB 3.25Å; V67-I70 HydrophobicContact CG1-CD1 3.68Å; V67-I70 HydrophobicContact CG1-CG1 3.52Å; V67-I70 HydrophobicContact CG1-CG2 4.49Å; V67-I70 HydrophobicContact CG2-CD1 4.03Å; V67-I71 HydrophobicContact CG1-CG1 4.49Å
68	D	41	Very low	50.6	Low	148 Å²	148	100.3 Å²	100.3	79%	0.791	50%	0.497	S	S	*	.	S	Bend	trans	-80.2	-10	158.8	-71.5	-36.3	0	0	0	111.1	K66	K66-D68 PolarHBondContact O-N 3.35Å; K66-D68 VanDerWaalsContact O-N 3.1Å
69	R	46	Very low	48.7	Very low	210 Å²	210	108.3 Å²	108.3	79%	0.792	53%	0.534	S	S	*	.	S	Bend	trans	-102.7	-26.1	-174	-72.3	-174.2	-173.9	-176.3	1.8	116.9	L73	R69-L73 WeakPolarHBondContact O-CD1 3.43Å; R69-L73 PolarHBondContact O-N 3.34Å
70	I	48.4	Very low	46.9	Very low	60 Å²	60	108.2 Å²	108.2	31%	0.308	54%	0.543	S	S	.	.	H	α-helix	trans	-82.6	-31.2	179.8	-53.5	166.5	0	0	0	110.5	V67 A74	V67-I70 HydrophobicContact CG1-CB 3.25Å; V67-I70 HydrophobicContact CG1-CD1 3.68Å; V67-I70 HydrophobicContact CG1-CG1 3.52Å; V67-I70 HydrophobicContact CG1-CG2 4.49Å; V67-I70 HydrophobicContact CG2-CD1 4.03Å; I70-A74 PolarHBondContact O-N 2.6Å
71	I	43.2	Very low	45	Very low	107 Å²	107	109 Å²	109	55%	0.549	55%	0.55	S	S	.	.	H	α-helix	trans	-68.8	-38.6	174	-59	178.7	0	0	0	110.8	V67 L73	V67-I71 HydrophobicContact CG1-CG1 4.49Å; I71-L73 PolarHBondContact O-N 3.22Å
72	D	40.7	Very low	42.9	Very low	70 Å²	70	115.2 Å²	115.2	37%	0.374	58%	0.582	S	S	.	*	H	α-helix	trans	-75.1	-22.6	-178.5	-157.5	22.1	0	0	0	113.3	R76	D72-R76 WeakPolarHBondContact O-CG 3.12Å; D72-R76 IonicContact OD1-NE 3.45Å; D72-R76 IonicContact OD1-NH2 2.63Å; D72-R76 IonicContact OD2-CZ 2.77Å; D72-R76 IonicContact OD2-NE 3.95Å; D72-R76 IonicContact OD2-NH2 3.16Å; D72-R76 PolarHBondContact OD2-NH2 3.43Å
73	L	42	Very low	41.2	Very low	131 Å²	131	120.5 Å²	120.5	69%	0.686	61%	0.606	S	S	*	*	H	α-helix	trans	-83	-28.2	175.9	-101	136.1	0	0	0	113.4	R69 I71 Q75	R69-L73 WeakPolarHBondContact O-CD1 3.43Å; R69-L73 PolarHBondContact O-N 3.34Å; I71-L73 PolarHBondContact O-N 3.22Å; L73-Q75 VanDerWaalsContact C-N 3.3Å
74	A	39.5	Very low	39.4	Very low	81 Å²	81	118.9 Å²	118.9	67%	0.669	61%	0.608	S	S	*	*	H	α-helix	trans	-74.3	-21.1	173.2	0	0	0	0	0	112.8	I70	I70-A74 PolarHBondContact O-N 2.6Å
75	Q	39	Very low	38.1	Very low	142 Å²	142	125.1 Å²	125.1	66%	0.664	64%	0.64	S	S	*	*	H	α-helix	trans	-95.8	-11.5	-176.6	-73.1	-179.2	-23.5	0	0	114.8	L73 T77	L73-Q75 VanDerWaalsContact C-N 3.3Å; Q75-T77 PolarHBondContact O-N 2.85Å
76	R	36.4	Very low	36.6	Very low	183 Å²	183	128.7 Å²	128.7	69%	0.691	68%	0.675	S	S	*	*			trans	-89.4	17.8	-174	-81.9	-175.7	-169.1	-159.2	6.4	116.6	D72 V78	D72-R76 WeakPolarHBondContact O-CG 3.12Å; D72-R76 IonicContact OD1-NE 3.45Å; D72-R76 IonicContact OD1-NH2 2.63Å; D72-R76 IonicContact OD2-CZ 2.77Å; D72-R76 IonicContact OD2-NE 3.95Å; D72-R76 IonicContact OD2-NH2 3.16Å; D72-R76 PolarHBondContact OD2-NH2 3.43Å; R76-V78 PolarHBondContact O-N 2.88Å
77	T	36.5	Very low	35.4	Very low	128 Å²	128	127.5 Å²	127.5	79%	0.785	68%	0.677	S	S	*	*	S	Bend	trans	-86.4	19.7	175.9	-15.6	0	0	0	0	114.1	Q75	Q75-T77 PolarHBondContact O-N 2.85Å
78	V	36.8	Very low	34.4	Very low	116 Å²	116	132.4 Å²	132.4	70%	0.703	71%	0.712	S	S	*	*	S	Bend	trans	-140.2	121.3	171.5	179.5	0	0	0	0	109.7	R76	R76-V78 PolarHBondContact O-N 2.88Å
79	Q	29.2	Very low	33.8	Very low	189 Å²	189	131.7 Å²	131.7	88%	0.883	71%	0.713	S	S	*	*			trans	88.7	110.9	170.4	-69	173.7	11.5	0	0	119.4
80	T	29.5	Very low	32.8	Very low	128 Å²	128	126.9 Å²	126.9	79%	0.785	71%	0.711	S	S	*	*			trans	-76	156.2	158.6	36.9	0	0	0	0	112.8
81	I	28.7	Very low	31.8	Very low	142 Å²	142	128.5 Å²	128.5	73%	0.728	73%	0.728	S	S	*	*			trans	110.3	114.3	148.2	-49.2	-170.5	0	0	0	118.2
82	N	24.9	Very low	31	Very low	135 Å²	135	128.6 Å²	128.6	72%	0.722	74%	0.738	S	S	*	*			trans	90.7	132	142.2	-77.8	-5.2	0	0	0	125
83	H	27.3	Very low	30.4	Very low	151 Å²	151	132.8 Å²	132.8	70%	0.699	76%	0.76	S	S	*	*			trans	104.2	102.9	142.2	-81.2	-58.2	0	0	0	121.8
84	T	26.2	Very low	30.2	Very low	113 Å²	113	131.5 Å²	131.5	69%	0.693	76%	0.76	S	S	*	*				49.9	121.5	123.2	49.6	0	0	0	0	123.3
85	D	29.7	Very low	29.8	Very low	161 Å²	161	135 Å²	135	86%	0.861	77%	0.768	S	S	*	*			trans	18.8	130.6	143.1	-61.8	-27.8	0	0	0	121.8
86	A	25.1	Very low	29.3	Very low	105 Å²	105	140 Å²	140	87%	0.868	78%	0.781	S	S	*	*				-174.6	140.8	123.2	0	0	0	0	0	112.6
87	D	26.6	Very low	29	Very low	157 Å²	157	140 Å²	140	84%	0.84	79%	0.788	S	S	*	*			trans	-56	154.1	178	-74.8	-52.6	0	0	0	116.5
88	S	25.6	Very low	28.9	Very low	124 Å²	124	139 Å²	139	87%	0.867	79%	0.793	S	S	*	*				-166.3	145.4	124.4	49.9	0	0	0	0	113.4
89	V	28.2	Very low	28.7	Very low	133 Å²	133	137.8 Å²	137.8	81%	0.806	80%	0.795	S	S	*	*			trans	-91.7	147.1	-165.9	170.2	0	0	0	0	111.7
90	S	26.2	Very low	29.1	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	80%	0.795	S	S	*	*			trans	-158.3	109.8	138.8	51.8	0	0	0	0	114
91	S	25.8	Very low	29.4	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	80%	0.799	S	S	*	*			trans	21.3	111.1	135.7	59.1	0	0	0	0	119.2
92	S	27.4	Very low	29.9	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	80%	0.801	S	S	*	*				79.6	115.9	89.9	73.1	0	0	0	0	115.8
93	D	27.8	Very low	30.7	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	79%	0.788	S	S	*	*				-169.3	146.2	106.9	-141.2	18.5	0	0	0	112
94	P	37	Very low	31.9	Very low	105 Å²	105	140.1 Å²	140.1	68%	0.682	77%	0.767	S	S	*	*			trans	-106	109.2	-172.3	35.9	-23	0	0	0	111.8
95	N	31.2	Very low	33.3	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	73%	0.734	S	S	*	*			trans	-171.6	109.5	150.4	-124.1	-21.9	0	0	0	111.5
96	R	29	Very low	35.5	Very low	248 Å²	248	127.1 Å²	127.1	94%	0.936	69%	0.693	S	S	*	*			trans	-163.8	109.7	143.3	-108.9	164	-169.3	-160.6	3	110.7
97	Q	30.2	Very low	37.9	Very low	181 Å²	181	122.3 Å²	122.3	85%	0.846	65%	0.653	S	S	*	*			trans	-12.1	128.4	160.3	-69.9	164.3	-16.9	0	0	115.1	A99	Q97-A99 PolarHBondContact O-N 2.86Å
98	A	34.3	Very low	40.3	Very low	107 Å²	107	116.6 Å²	116.6	88%	0.884	63%	0.625	S	S	*	*			trans	-53.8	97.5	170	0	0	0	0	0	111.2	Q100	A98-Q100 PolarHBondContact O-N 2.84Å
99	A	33.3	Very low	43	Very low	91 Å²	91	112.2 Å²	112.2	75%	0.752	59%	0.59	S	S	*	*			trans	-73.2	115.8	164.1	0	0	0	0	0	107.9	Q97 R101	Q97-A99 PolarHBondContact O-N 2.86Å; A99-R101 PolarHBondContact O-N 2.78Å
100	Q	37.3	Very low	45.6	Very low	189 Å²	189	110.9 Å²	110.9	88%	0.883	58%	0.584	S	S	*	*			trans	-44.7	116.4	171.3	-85.7	171.7	-33.2	0	0	110.3	A98 R102	A98-Q100 PolarHBondContact O-N 2.84Å; Q100-R102 PolarHBondContact O-N 2.75Å
101	R	35	Very low	48.3	Very low	228 Å²	228	110.7 Å²	110.7	86%	0.86	57%	0.571	S	S	*	*			trans	-63	106.6	177.1	-78.3	179.2	173.5	171.4	-0.8	109.3	A99	A99-R101 PolarHBondContact O-N 2.78Å
102	R	40.3	Very low	51.3	Low	204 Å²	204	106.9 Å²	106.9	77%	0.77	54%	0.542	S	S	*	.			trans	-72.4	133.3	166.9	-68.4	-176.4	176.2	-175.2	-1.2	108.9	Q100 R104	Q100-R102 PolarHBondContact O-N 2.75Å; R102-R104 WeakPolarHBondContact O-CG 3.3Å
103	K	42.3	Very low	54.4	Low	106 Å²	106	103.3 Å²	103.3	46%	0.461	52%	0.516	S	S	.	.			trans	-75.5	135.7	-178.6	-58	-178.3	178.8	-172	0	110.2	D213 S243	K103-D213 WeakPolarHBondContact CB-OD2 3.09Å; K103-S243 VanDerWaalsContact O-CB 3.3Å; K103-S243 WeakPolarHBondContact O-CB 3.33Å
104	R	51.8	Low	57.5	Low	68 Å²	68	96 Å²	96	26%	0.257	48%	0.476	S	S	.	.			trans	-141.4	127.9	-163.2	-58.9	-163.8	-154.8	-159	-3.4	118.9	R102 R211 P212 S238 V241 S243	R102-R104 WeakPolarHBondContact O-CG 3.3Å; R104-R211 VanDerWaalsContact O-CB 3.28Å; R104-R211 WeakPolarHBondContact O-CB 3.04Å; R104-R211 WeakPolarHBondContact O-CG 3.43Å; R104-P212 HydrophobicContact CB-CG 4.25Å; R104-P212 VanDerWaalsContact O-CD 3.32Å; R104-P212 WeakPolarHBondContact O-CD 3.32Å; R104-S238 WeakPolarHBondContact CD-O 3.28Å; R104-S238 PolarHBondContact NH1-O 3Å; R104-V241 VanDerWaalsContact C-CG1 3.47Å; R104-V241 HydrophobicContact CB-CB 4.38Å; R104-V241 HydrophobicContact CB-CG1 4.19Å; R104-V241 VanDerWaalsContact CB-O 3.28Å; R104-V241 WeakPolarHBondContact CB-O 3.42Å; R104-V241 WeakPolarHBondContact CD-O 3.11Å; R104-V241 WeakPolarHBondContact CG-O 3.38Å; R104-V241 WeakPolarHBondContact O-CG1 3.49Å; R104-S243 WeakPolarHBondContact CA-OG 3.38Å; R104-S243 PolarHBondContact N-OG 3.49Å
105	A	56.3	Low	60	Low	1 Å²	1	94.8 Å²	94.8	1%	0.008	47%	0.468	C	S	.	.			trans	-143.7	-26.4	179.7	0	0	0	0	0	121.7	E208 R211 S243	A105-E208 WeakPolarHBondContact CB-OE2 3.25Å; A105-R211 HydrophobicContact CB-CG 3.67Å; A105-S243 WeakPolarHBondContact CB-OG 3.3Å; A105-S243 PolarHBondContact N-OG 3.18Å
106	A	75.3	Confident	62.7	Low	0 Å²	0	92.6 Å²	92.6	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	173.9	174.1	0	0	0	0	0	112.6	S108 G204 F205 V241 D242 Q296 L300	A106-S108 PolarHBondContact O-N 3.19Å; A106-G204 CarbonylContact C-O 3.52Å; A106-F205 HydrophobicContact CB-CD1 3.84Å; A106-F205 HydrophobicContact CB-CE1 3.99Å; A106-V241 CarbonylContact O-C 3.56Å; A106-V241 VanDerWaalsContact O-C 3.28Å; A106-V241 WeakPolarHBondContact O-CA 3.36Å; A106-D242 WeakPolarHBondContact CA-O 3.46Å; A106-D242 WeakPolarHBondContact CB-O 3.41Å; A106-D242 PolarHBondContact N-O 3.24Å; A106-D242 PolarHBondContact O-N 3.14Å; A106-Q296 HydrophobicContact CB-CG 3.98Å; A106-L300 HydrophobicContact CB-CD2 4.35Å
107	T	75.8	Confident	65.6	Low	4 Å²	4	80.8 Å²	80.8	3%	0.025	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.5	177.2	-176.8	0	0	0	0	111.9	R109 R112 V113 G204	T107-R109 PolarHBondContact OG1-N 2.96Å; T107-R112 HydrophobicContact CG2-CB 4.04Å; T107-V113 HydrophobicContact CG2-CG2 4.29Å; T107-G204 WeakPolarHBondContact CB-O 3.42Å; T107-G204 PolarHBondContact N-O 2.87Å
108	S	77.2	Confident	68.6	Low	36 Å²	36	73.1 Å²	73.1	25%	0.252	37%	0.374	S	S	.	.			trans	-84.5	-14.2	173.9	59	0	0	0	0	113.1	A106 P110 G239 E240 V241	A106-S108 PolarHBondContact O-N 3.19Å; S108-P110 WeakPolarHBondContact O-CD 3.32Å; S108-G239 WeakPolarHBondContact CB-O 3.28Å; S108-G239 VanDerWaalsContact OG-C 3.31Å; S108-G239 PolarHBondContact OG-O 3.32Å; S108-E240 PolarHBondContact N-O 3.03Å; S108-E240 WeakPolarHBondContact OG-CA 3.49Å; S108-E240 PolarHBondContact OG-N 3.41Å; S108-E240 PolarHBondContact OG-O 3.47Å; S108-V241 PolarHBondContact OG-N 3.44Å
109	R	80.7	Confident	71.5	Confident	33 Å²	33	68 Å²	68	13%	0.125	33%	0.332	C	S	.	.			trans	-83.3	113.5	-175	-72.3	-173.1	-176.6	-162.3	12.4	111.5	S64 T107 E111 R112 E240	S64-R109 PolarHBondContact OG-NH2 2.78Å; T107-R109 PolarHBondContact OG1-N 2.96Å; R109-E111 VanDerWaalsContact C-N 3.27Å; R109-E111 HydrophobicContact CB-CG 4.47Å; R109-E111 WeakPolarHBondContact CB-OE1 3.38Å; R109-E111 WeakPolarHBondContact CD-OE1 3.34Å; R109-E111 PolarHBondContact O-N 2.85Å; R109-R112 HydrophobicContact CB-CB 4.31Å; R109-R112 HydrophobicContact CB-CG 4.04Å; R109-R112 PolarHBondContact O-N 3.25Å; R109-R112 VanDerWaalsContact O-N 3.15Å; R109-E240 IonicContact CZ-OE1 3.28Å; R109-E240 VanDerWaalsContact CZ-OE1 3.31Å; R109-E240 IonicContact CZ-OE2 3.97Å; R109-E240 VanDerWaalsContact CZ-OE2 3.25Å; R109-E240 VanDerWaalsContact NE-CD 3.32Å; R109-E240 IonicContact NE-OE1 3.06Å; R109-E240 PolarHBondContact NE-OE1 3.16Å; R109-E240 VanDerWaalsContact NE-OE1 3.08Å; R109-E240 IonicContact NE-OE2 3.73Å; R109-E240 PolarHBondContact NE-OE2 2.97Å; R109-E240 IonicContact NH2-OE1 3.02Å; R109-E240 PolarHBondContact NH2-OE1 3.42Å; R109-E240 IonicContact NH2-OE2 3.81Å; R109-E240 PolarHBondContact NH2-OE2 3.46Å; R109-E240 VanDerWaalsContact NH2-OE2 3.13Å
110	P	82.7	Confident	74.4	Confident	105 Å²	105	64 Å²	64	68%	0.682	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-60.5	-32.1	-177.9	-24.4	34.9	0	0	0	114.3	S108 R112 V113	S108-P110 WeakPolarHBondContact O-CD 3.32Å; P110-R112 PolarHBondContact O-N 2.82Å; P110-V113 WeakPolarHBondContact O-CB 3.46Å; P110-V113 PolarHBondContact O-N 2.95Å; P110-V113 VanDerWaalsContact O-N 3.13Å
111	E	84.4	Confident	77.1	Confident	103 Å²	103	55.8 Å²	55.8	48%	0.481	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-65.8	-24.2	179.1	63.5	-83.4	-168.4	0	0	113.5	R109 V113	R109-E111 VanDerWaalsContact C-N 3.27Å; R109-E111 HydrophobicContact CB-CG 4.47Å; R109-E111 WeakPolarHBondContact CB-OE1 3.38Å; R109-E111 WeakPolarHBondContact CD-OE1 3.34Å; R109-E111 PolarHBondContact O-N 2.85Å; E111-V113 VanDerWaalsContact C-N 3.33Å
112	R	87.7	Confident	79.8	Confident	16 Å²	16	47.5 Å²	47.5	6%	0.06	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-83.3	-8.1	175.4	-66.6	-172.1	176.2	-177	-4.1	113.5	D61 T107 R109 P110 G174 R175	D61-R112 IonicContact OD1-CZ 2.74Å; D61-R112 IonicContact OD1-NH1 2.69Å; D61-R112 PolarHBondContact OD1-NH1 2.95Å; D61-R112 IonicContact OD1-NH2 3.09Å; D61-R112 PolarHBondContact OD1-NH2 2.77Å; D61-R112 IonicContact OD2-NH2 2.67Å; T107-R112 HydrophobicContact CG2-CB 4.04Å; R109-R112 HydrophobicContact CB-CB 4.31Å; R109-R112 HydrophobicContact CB-CG 4.04Å; R109-R112 PolarHBondContact O-N 3.25Å; R109-R112 VanDerWaalsContact O-N 3.15Å; P110-R112 PolarHBondContact O-N 2.82Å; R112-G174 CarbonylContact O-C 3.41Å; R112-G174 WeakPolarHBondContact O-CA 3.49Å; R112-R175 WeakPolarHBondContact CA-O 3.36Å; R112-R175 PolarHBondContact O-N 3.28Å
113	V	91.9	Very high	82.2	Confident	33 Å²	33	38.7 Å²	38.7	20%	0.2	20%	0.202	C	C	.	.	S	Bend	trans	-83.9	129.8	176.3	-175.4	0	0	0	0	108.9	T107 P110 E111 L300 Y301	T107-V113 HydrophobicContact CG2-CG2 4.29Å; P110-V113 WeakPolarHBondContact O-CB 3.46Å; P110-V113 PolarHBondContact O-N 2.95Å; P110-V113 VanDerWaalsContact O-N 3.13Å; E111-V113 VanDerWaalsContact C-N 3.33Å; V113-L300 HydrophobicContact CG2-CD1 3.81Å; V113-L300 HydrophobicContact CG2-CG 4.35Å; V113-Y301 HydrophobicContact CG1-CD1 3.86Å; V113-Y301 HydrophobicContact CG1-CE1 3.45Å; V113-Y301 VanDerWaalsContact CG1-CE1 3.45Å
114	W	93.3	Very high	84.1	Confident	5 Å²	5	35.8 Å²	35.8	2%	0.019	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-64.5	128.1	177.3	-70.2	89.4	0	0	0	110.8	E116 G117 I119 I160 R175 V202 Y301	W114-E116 PolarHBondContact O-N 3.05Å; W114-G117 PolarHBondContact O-N 3.4Å; W114-I119 HydrophobicContact CB-CG1 4.02Å; W114-I119 HydrophobicContact CD2-CB 4.38Å; W114-I119 HydrophobicContact CD2-CG1 3.9Å; W114-I119 HydrophobicContact CD2-CG2 4.19Å; W114-I119 HydrophobicContact CE3-CG1 4.48Å; W114-I119 HydrophobicContact CE3-CG2 4.43Å; W114-I119 HydrophobicContact CG-CD1 4.07Å; W114-I119 HydrophobicContact CG-CG1 3.66Å; W114-I119 HydrophobicContact CH2-CG2 4.37Å; W114-I119 HydrophobicContact CZ2-CG2 4.1Å; W114-I160 HydrophobicContact CH2-CG2 4.13Å; W114-I160 HydrophobicContact CZ2-CG2 3.81Å; W114-R175 HydrophobicContact CD2-CB 3.74Å; W114-R175 HydrophobicContact CD2-CG 4.06Å; W114-R175 HydrophobicContact CE3-CB 4.22Å; W114-R175 HydrophobicContact CE3-CG 4.01Å; W114-R175 HydrophobicContact CG-CB 4.03Å; W114-R175 HydrophobicContact CH2-CB 4.5Å; W114-R175 HydrophobicContact CH2-CG 4.2Å; W114-R175 HydrophobicContact CZ2-CB 4.06Å; W114-R175 HydrophobicContact CZ2-CG 4.25Å; W114-R175 HydrophobicContact CZ3-CG 4.08Å; W114-V202 HydrophobicContact CZ2-CG1 4.32Å; W114-V202 PolarHBondContact NE1-O 2.82Å; W114-Y301 HydrophobicContact CB-CE1 3.96Å; W114-Y301 PolarHBondContact N-OH 3.13Å; W114-Y301 WeakPolarHBondContact O-CE1 3.26Å
115	P	90.6	Very high	85.2	Confident	78 Å²	78	35.9 Å²	35.9	51%	0.506	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-54.5	126.4	179.7	-27.6	34.8	0	0	0	111.7	G117 V118	P115-G117 PolarHBondContact O-N 2.04Å; P115-V118 PolarHBondContact O-N 3.32Å; P115-V118 VanDerWaalsContact O-N 3.13Å
116	E	87.1	Confident	86.1	Confident	108 Å²	108	41.5 Å²	41.5	51%	0.505	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	57.7	13.8	-178.8	-50.7	-76.5	131.1	0	0	114.8	W114 V118 R372	W114-E116 PolarHBondContact O-N 3.05Å; E116-V118 VanDerWaalsContact C-N 3.28Å; E116-V118 HydrophobicContact CB-CG2 4.31Å; E116-V118 PolarHBondContact O-N 2.83Å; E116-R372 IonicContact OE1-CZ 2.68Å; E116-R372 IonicContact OE1-NH2 3.21Å; E116-R372 PolarHBondContact OE1-NH2 3.29Å; E116-R372 IonicContact OE2-CZ 2.7Å; E116-R372 IonicContact OE2-NE 3.53Å; E116-R372 PolarHBondContact OE2-NE 2.69Å; E116-R372 IonicContact OE2-NH2 3.74Å; E116-R372 PolarHBondContact OE2-NH2 3.19Å
117	G	90.4	Very high	86.4	Confident	1 Å²	1	42 Å²	42	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	69.2	21.5	-174.9	0	0	0	0	0	114.4	W114 P115 V148 T149	W114-G117 PolarHBondContact O-N 3.4Å; P115-G117 PolarHBondContact O-N 2.04Å; G117-V148 CarbonylContact O-C 3.42Å; G117-V148 WeakPolarHBondContact O-CA 3.17Å; G117-T149 PolarHBondContact O-N 2.92Å
118	V	92.6	Very high	86.7	Confident	20 Å²	20	44.3 Å²	44.3	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.1	178.4	-178.4	0	0	0	0	109.7	P115 E116 T149 I151 Y370	P115-V118 PolarHBondContact O-N 3.32Å; P115-V118 VanDerWaalsContact O-N 3.13Å; E116-V118 VanDerWaalsContact C-N 3.28Å; E116-V118 HydrophobicContact CB-CG2 4.31Å; E116-V118 PolarHBondContact O-N 2.83Å; V118-T149 WeakPolarHBondContact CA-O 3.42Å; V118-I151 HydrophobicContact CG1-CD1 3.52Å; V118-I151 HydrophobicContact CG1-CG1 3.86Å; V118-I151 HydrophobicContact CG1-CG2 4.31Å; V118-Y370 HydrophobicContact CG1-CD2 4.5Å; V118-Y370 HydrophobicContact CG1-CE2 3.84Å; V118-Y370 HydrophobicContact CG2-CD2 4.31Å; V118-Y370 HydrophobicContact CG2-CE2 3.98Å
119	I	95.4	Very high	86.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	100.8	-176.4	-51	-174.9	0	0	0	109	W114 V148 T149 F150 I151 I160 V202 I203	W114-I119 HydrophobicContact CB-CG1 4.02Å; W114-I119 HydrophobicContact CD2-CB 4.38Å; W114-I119 HydrophobicContact CD2-CG1 3.9Å; W114-I119 HydrophobicContact CD2-CG2 4.19Å; W114-I119 HydrophobicContact CE3-CG1 4.48Å; W114-I119 HydrophobicContact CE3-CG2 4.43Å; W114-I119 HydrophobicContact CG-CD1 4.07Å; W114-I119 HydrophobicContact CG-CG1 3.66Å; W114-I119 HydrophobicContact CH2-CG2 4.37Å; W114-I119 HydrophobicContact CZ2-CG2 4.1Å; I119-V148 HydrophobicContact CD1-CG1 3.46Å; I119-V148 VanDerWaalsContact CD1-CG1 3.46Å; I119-V148 HydrophobicContact CG1-CG1 3.93Å; I119-T149 PolarHBondContact N-O 2.83Å; I119-F150 HydrophobicContact CB-CD1 3.78Å; I119-F150 HydrophobicContact CB-CE1 3.91Å; I119-F150 HydrophobicContact CD1-CE1 3.84Å; I119-F150 HydrophobicContact CD1-CZ 4.01Å; I119-F150 HydrophobicContact CG1-CE1 4.4Å; I119-F150 HydrophobicContact CG2-CD1 3.93Å; I119-F150 HydrophobicContact CG2-CE1 3.86Å; I119-F150 WeakPolarHBondContact O-CA 3.16Å; I119-I151 PolarHBondContact O-N 3.37Å; I119-I151 VanDerWaalsContact O-N 3.07Å; I119-I160 HydrophobicContact CG2-CD1 4.11Å; I119-I160 HydrophobicContact CG2-CG1 4.33Å; I119-I160 HydrophobicContact CG2-CG2 4.12Å; I119-V202 HydrophobicContact CD1-CG1 4.21Å; I119-V202 HydrophobicContact CG2-CG1 3.99Å; I119-I203 HydrophobicContact CD1-CG1 3.97Å
120	P	94.8	Very high	86.3	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.3	175.4	-13.4	29.3	0	0	0	110.7	I151 R153 E156 Y159 I160	P120-I151 CarbonylContact C-O 3.53Å; P120-I151 WeakPolarHBondContact CA-O 3.33Å; P120-I151 HydrophobicContact CB-CG1 4.07Å; P120-I151 HydrophobicContact CG-CD1 4.35Å; P120-I151 HydrophobicContact CG-CG1 4.23Å; P120-R153 HydrophobicContact CB-CB 4.32Å; P120-E156 HydrophobicContact CB-CB 3.99Å; P120-E156 HydrophobicContact CB-CG 4.15Å; P120-E156 HydrophobicContact CG-CB 3.62Å; P120-E156 HydrophobicContact CG-CG 3.62Å; P120-Y159 CarbonylContact O-C 3.58Å; P120-Y159 VanDerWaalsContact O-CA 3.27Å; P120-Y159 WeakPolarHBondContact O-CA 3.26Å; P120-Y159 VanDerWaalsContact O-CB 3.3Å; P120-Y159 WeakPolarHBondContact O-CB 3.43Å; P120-I160 PolarHBondContact O-N 3Å
121	Y	94.4	Very high	86.4	Confident	17 Å²	17	41.5 Å²	41.5	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.7	-178.6	72.8	-89.2	0	0	0	114.1	I123 R136 M139 F150 I151 E152 R153 I160	Y121-I123 HydrophobicContact CD2-CD1 4.41Å; Y121-I123 HydrophobicContact CD2-CG1 4.07Å; Y121-I123 HydrophobicContact CE2-CD1 4.1Å; Y121-I123 HydrophobicContact CE2-CG1 4.23Å; Y121-R136 PolarHBondContact OH-NH1 2.85Å; Y121-M139 HydrophobicContact CD1-CE 4.25Å; Y121-M139 HydrophobicContact CD1-SD 3.71Å; Y121-M139 HydrophobicContact CD2-CE 3.98Å; Y121-M139 HydrophobicContact CD2-SD 4.2Å; Y121-M139 HydrophobicContact CE1-CE 3.94Å; Y121-M139 HydrophobicContact CE1-SD 3.86Å; Y121-M139 HydrophobicContact CE2-CE 3.65Å; Y121-M139 HydrophobicContact CE2-SD 4.34Å; Y121-M139 HydrophobicContact CG-CE 4.27Å; Y121-M139 HydrophobicContact CG-SD 3.89Å; Y121-F150 HydrophobicContact CD1-CB 3.95Å; Y121-F150 HydrophobicContact CE1-CB 3.99Å; Y121-I151 VanDerWaalsContact CD1-C 3.45Å; Y121-I151 WeakPolarHBondContact CD1-O 3.47Å; Y121-I151 WeakPolarHBondContact CE1-O 3.47Å; Y121-I151 PolarHBondContact N-O 3.12Å; Y121-E152 HydrophobicContact CE1-CG 4.07Å; Y121-E152 HydrophobicContact CE2-CG 3.89Å; Y121-E152 WeakPolarHBondContact OH-CG 3.48Å; Y121-R153 PolarHBondContact O-N 3.41Å; Y121-I160 CarbonylContact C-O 3.5Å; Y121-I160 VanDerWaalsContact CA-O 3.3Å; Y121-I160 WeakPolarHBondContact CA-O 3.33Å; Y121-I160 VanDerWaalsContact CB-CG1 3.43Å
122	V	91.7	Very high	86.5	Confident	54 Å²	54	37.8 Å²	37.8	33%	0.327	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.6	169.7	178.4	0	0	0	0	108.6	R153 Y159 I160 V161 F162	V122-R153 HydrophobicContact CG2-CB 3.78Å; V122-Y159 HydrophobicContact CB-CD2 4.47Å; V122-Y159 HydrophobicContact CB-CE2 4.47Å; V122-Y159 HydrophobicContact CG2-CD2 3.84Å; V122-Y159 HydrophobicContact CG2-CE2 3.86Å; V122-I160 PolarHBondContact N-O 2.02Å; V122-V161 HydrophobicContact CB-CG1 4.47Å; V122-V161 HydrophobicContact CB-CG2 4.45Å; V122-V161 WeakPolarHBondContact O-CA 3.49Å; V122-F162 PolarHBondContact O-N 2.91Å
123	I	88.8	Confident	86.3	Confident	19 Å²	19	37.8 Å²	37.8	10%	0.097	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.9	173.6	-54.7	168.3	0	0	0	109.3	Y121 F127 R132 F135 F162	Y121-I123 HydrophobicContact CD2-CD1 4.41Å; Y121-I123 HydrophobicContact CD2-CG1 4.07Å; Y121-I123 HydrophobicContact CE2-CD1 4.1Å; Y121-I123 HydrophobicContact CE2-CG1 4.23Å; I123-F127 HydrophobicContact CG2-CB 4.39Å; I123-F127 HydrophobicContact CG2-CD2 3.9Å; I123-F127 HydrophobicContact CG2-CG 4.48Å; I123-R132 HydrophobicContact CG2-CG 3.98Å; I123-R132 PolarHBondContact O-NH1 3.15Å; I123-F135 HydrophobicContact CD1-CB 4.37Å; I123-F135 HydrophobicContact CD1-CD2 4.31Å; I123-F135 HydrophobicContact CG1-CD2 4.44Å; I123-F135 HydrophobicContact CG2-CD2 3.97Å; I123-F135 HydrophobicContact CG2-CE2 4.17Å; I123-F162 HydrophobicContact CB-CB 4.45Å; I123-F162 HydrophobicContact CG1-CB 4.38Å; I123-F162 HydrophobicContact CG1-CD2 3.74Å; I123-F162 HydrophobicContact CG1-CE2 4.39Å; I123-F162 HydrophobicContact CG1-CG 4.3Å; I123-F162 HydrophobicContact CG2-CB 4.14Å
124	S	83.4	Confident	86.2	Confident	45 Å²	45	38.3 Å²	38.3	32%	0.315	24%	0.237	S	C	.	.			trans	-53.7	150.5	-178.8	-179.4	0	0	0	0	112.7	N126 R132 F162	S124-N126 PolarHBondContact O-N 3.04Å; S124-N126 VanDerWaalsContact O-N 3.12Å; S124-R132 PolarHBondContact O-NH2 3.3Å; S124-F162 WeakPolarHBondContact CB-O 3.48Å; S124-F162 PolarHBondContact N-O 3.1Å; S124-F162 VanDerWaalsContact N-O 3.09Å
125	G	73.9	Confident	86.2	Confident	69 Å²	69	38.1 Å²	38.1	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26	-179.2	0	0	0	0	0	114.6	F127 R132	G125-F127 PolarHBondContact O-N 2.8Å; G125-F127 VanDerWaalsContact O-N 3.11Å; G125-R132 VanDerWaalsContact CA-NH2 3.3Å; G125-R132 PolarHBondContact O-NH2 3.07Å
126	N	76.6	Confident	86.1	Confident	119 Å²	119	35.4 Å²	35.4	64%	0.636	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	4.2	-170.6	-153	32.6	0	0	0	115.6	S124	S124-N126 PolarHBondContact O-N 3.04Å; S124-N126 VanDerWaalsContact O-N 3.12Å
127	F	81.6	Confident	86.3	Confident	10 Å²	10	33.5 Å²	33.5	4%	0.044	21%	0.207	C	C	.	.	S	Bend	trans	-105.2	138	179.1	-68	-73.2	0	0	0	112.1	I123 G125 Q131 R132 F135 F162 T163 I185	I123-F127 HydrophobicContact CG2-CB 4.39Å; I123-F127 HydrophobicContact CG2-CD2 3.9Å; I123-F127 HydrophobicContact CG2-CG 4.48Å; G125-F127 PolarHBondContact O-N 2.8Å; G125-F127 VanDerWaalsContact O-N 3.11Å; F127-Q131 HydrophobicContact CB-CB 4.27Å; F127-Q131 HydrophobicContact CD1-CB 4.31Å; F127-R132 HydrophobicContact CB-CG 4.26Å; F127-R132 PolarHBondContact O-NE 3.21Å; F127-R132 PolarHBondContact O-NH2 2.97Å; F127-F135 HydrophobicContact CB-CE2 4.38Å; F127-F135 AromaticContact CD1-CE2 3.85Å; F127-F135 HydrophobicContact CD1-CE2 3.85Å; F127-F135 AromaticContact CD1-CZ 3.79Å; F127-F135 HydrophobicContact CD1-CZ 3.79Å; F127-F135 AromaticContact CD2-CE2 3.95Å; F127-F135 HydrophobicContact CD2-CE2 3.95Å; F127-F135 HydrophobicContact CE1-CE2 4Å; F127-F135 AromaticContact CE1-CZ 3.75Å; F127-F135 HydrophobicContact CE1-CZ 3.75Å; F127-F135 HydrophobicContact CE2-CE2 4.1Å; F127-F135 AromaticContact CG-CE2 3.8Å; F127-F135 HydrophobicContact CG-CE2 3.8Å; F127-F135 HydrophobicContact CG-CZ 4.23Å; F127-F135 HydrophobicContact CZ-CE2 4.1Å; F127-F135 HydrophobicContact CZ-CZ 4.16Å; F127-F162 HydrophobicContact CE2-CB 4.11Å; F127-F162 WeakPolarHBondContact CE2-O 3.07Å; F127-T163 WeakPolarHBondContact CZ-O 3.23Å; F127-I185 HydrophobicContact CE1-CB 4.22Å; F127-I185 HydrophobicContact CZ-CB 4.2Å
128	S	80.6	Confident	86.4	Confident	53 Å²	53	33.4 Å²	33.4	37%	0.371	21%	0.207	S	C	.	.			trans	-65.4	162.5	174.6	64.2	0	0	0	0	112.4	S130 Q131 R132	S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 2.75Å; S128-S130 PolarHBondContact OG-OG 2.91Å; S128-Q131 PolarHBondContact O-N 2.81Å; S128-Q131 VanDerWaalsContact OG-CD 3.28Å; S128-Q131 VanDerWaalsContact OG-CG 3.24Å; S128-Q131 WeakPolarHBondContact OG-CG 3.47Å; S128-Q131 PolarHBondContact OG-N 3.23Å; S128-Q131 PolarHBondContact OG-OE1 2.88Å; S128-R132 VanDerWaalsContact O-CG 3.32Å; S128-R132 WeakPolarHBondContact O-CG 3.19Å; S128-R132 PolarHBondContact O-N 2.97Å
129	G	72.8	Confident	86.5	Confident	13 Å²	13	32.7 Å²	32.7	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-42.7	177.8	0	0	0	0	0	113.6	R132 A133 Q462	G129-R132 WeakPolarHBondContact O-CB 3.4Å; G129-R132 PolarHBondContact O-N 3.35Å; G129-A133 PolarHBondContact O-N 2.92Å; G129-Q462 VanDerWaalsContact CA-O 3.31Å; G129-Q462 WeakPolarHBondContact CA-O 3.06Å
130	S	77.4	Confident	86.4	Confident	62 Å²	62	34.4 Å²	34.4	43%	0.434	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-40	178	56	0	0	0	0	112.5	S128 A133 I134	S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 2.75Å; S128-S130 PolarHBondContact OG-OG 2.91Å; S130-A133 WeakPolarHBondContact O-CB 3.41Å; S130-A133 PolarHBondContact O-N 2.82Å; S130-I134 WeakPolarHBondContact O-CG1 3.41Å; S130-I134 PolarHBondContact O-N 2.87Å
131	Q	86	Confident	86.3	Confident	41 Å²	41	35.6 Å²	35.6	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-43.6	174.3	-71.6	170.6	-39.1	0	0	111.7	F127 S128 A133 I134 F135 D190	F127-Q131 HydrophobicContact CB-CB 4.27Å; F127-Q131 HydrophobicContact CD1-CB 4.31Å; S128-Q131 PolarHBondContact O-N 2.81Å; S128-Q131 VanDerWaalsContact OG-CD 3.28Å; S128-Q131 VanDerWaalsContact OG-CG 3.24Å; S128-Q131 WeakPolarHBondContact OG-CG 3.47Å; S128-Q131 PolarHBondContact OG-N 3.23Å; S128-Q131 PolarHBondContact OG-OE1 2.88Å; Q131-A133 VanDerWaalsContact C-N 3.27Å; Q131-A133 PolarHBondContact O-N 3.01Å; Q131-I134 PolarHBondContact O-N 3.09Å; Q131-F135 HydrophobicContact CB-CZ 4.22Å; Q131-F135 WeakPolarHBondContact O-CD1 3.29Å; Q131-F135 VanDerWaalsContact O-CG 3.27Å; Q131-F135 WeakPolarHBondContact O-CG 3Å; Q131-F135 PolarHBondContact O-N 3.48Å; Q131-D190 HydrophobicContact CG-CB 3.98Å; Q131-D190 WeakPolarHBondContact CG-OD2 3.03Å; Q131-D190 PolarHBondContact NE2-OD2 2.89Å
132	R	85.8	Confident	86.4	Confident	24 Å²	24	34.8 Å²	34.8	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-40.2	174.6	-68.2	169.9	-177.3	-80.5	-5.2	111.7	I123 S124 G125 F127 S128 G129 F135 R136	I123-R132 HydrophobicContact CG2-CG 3.98Å; I123-R132 PolarHBondContact O-NH1 3.15Å; S124-R132 PolarHBondContact O-NH2 3.3Å; G125-R132 VanDerWaalsContact CA-NH2 3.3Å; G125-R132 PolarHBondContact O-NH2 3.07Å; F127-R132 HydrophobicContact CB-CG 4.26Å; F127-R132 PolarHBondContact O-NE 3.21Å; F127-R132 PolarHBondContact O-NH2 2.97Å; S128-R132 VanDerWaalsContact O-CG 3.32Å; S128-R132 WeakPolarHBondContact O-CG 3.19Å; S128-R132 PolarHBondContact O-N 2.97Å; G129-R132 WeakPolarHBondContact O-CB 3.4Å; G129-R132 PolarHBondContact O-N 3.35Å; R132-F135 PolarHBondContact O-N 3.41Å; R132-R136 WeakPolarHBondContact O-CG 3.24Å; R132-R136 PolarHBondContact O-N 2.62Å; R132-R136 VanDerWaalsContact O-N 3.08Å
133	A	84.1	Confident	86.5	Confident	16 Å²	16	32.7 Å²	32.7	13%	0.132	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-47	175.7	0	0	0	0	0	111.3	G129 S130 Q131 F135 R136 Q137 P436	G129-A133 PolarHBondContact O-N 2.92Å; S130-A133 WeakPolarHBondContact O-CB 3.41Å; S130-A133 PolarHBondContact O-N 2.82Å; Q131-A133 VanDerWaalsContact C-N 3.27Å; Q131-A133 PolarHBondContact O-N 3.01Å; A133-F135 VanDerWaalsContact C-N 3.34Å; A133-F135 PolarHBondContact O-N 2.73Å; A133-R136 PolarHBondContact O-N 3.24Å; A133-Q137 WeakPolarHBondContact O-CB 3.47Å; A133-Q137 PolarHBondContact O-N 2.86Å; A133-P436 HydrophobicContact CB-CB 3.6Å
134	I	89.3	Confident	86.6	Confident	45 Å²	45	36.8 Å²	36.8	23%	0.231	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-41.5	177.5	-65.2	170.6	0	0	0	111.5	S130 Q131 R136 Q137 A138 D190 F192 V195	S130-I134 WeakPolarHBondContact O-CG1 3.41Å; S130-I134 PolarHBondContact O-N 2.87Å; Q131-I134 PolarHBondContact O-N 3.09Å; I134-R136 VanDerWaalsContact C-N 3.34Å; I134-R136 PolarHBondContact O-N 2.81Å; I134-Q137 PolarHBondContact O-N 2.84Å; I134-A138 WeakPolarHBondContact O-CB 3.48Å; I134-A138 PolarHBondContact O-N 2.75Å; I134-D190 WeakPolarHBondContact CD1-O 3.35Å; I134-F192 HydrophobicContact CG2-CB 4.37Å; I134-V195 HydrophobicContact CG2-CG2 4.19Å
135	F	92.1	Very high	87.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-43.4	178.2	-56.9	-12.3	0	0	0	111.4	I123 F127 Q131 R132 A133 A138 M139 F162 I185 V195	I123-F135 HydrophobicContact CD1-CB 4.37Å; I123-F135 HydrophobicContact CD1-CD2 4.31Å; I123-F135 HydrophobicContact CG1-CD2 4.44Å; I123-F135 HydrophobicContact CG2-CD2 3.97Å; I123-F135 HydrophobicContact CG2-CE2 4.17Å; F127-F135 HydrophobicContact CB-CE2 4.38Å; F127-F135 AromaticContact CD1-CE2 3.85Å; F127-F135 HydrophobicContact CD1-CE2 3.85Å; F127-F135 AromaticContact CD1-CZ 3.79Å; F127-F135 HydrophobicContact CD1-CZ 3.79Å; F127-F135 AromaticContact CD2-CE2 3.95Å; F127-F135 HydrophobicContact CD2-CE2 3.95Å; F127-F135 HydrophobicContact CE1-CE2 4Å; F127-F135 AromaticContact CE1-CZ 3.75Å; F127-F135 HydrophobicContact CE1-CZ 3.75Å; F127-F135 HydrophobicContact CE2-CE2 4.1Å; F127-F135 AromaticContact CG-CE2 3.8Å; F127-F135 HydrophobicContact CG-CE2 3.8Å; F127-F135 HydrophobicContact CG-CZ 4.23Å; F127-F135 HydrophobicContact CZ-CE2 4.1Å; F127-F135 HydrophobicContact CZ-CZ 4.16Å; Q131-F135 HydrophobicContact CB-CZ 4.22Å; Q131-F135 WeakPolarHBondContact O-CD1 3.29Å; Q131-F135 VanDerWaalsContact O-CG 3.27Å; Q131-F135 WeakPolarHBondContact O-CG 3Å; Q131-F135 PolarHBondContact O-N 3.48Å; R132-F135 PolarHBondContact O-N 3.41Å; A133-F135 VanDerWaalsContact C-N 3.34Å; A133-F135 PolarHBondContact O-N 2.73Å; F135-A138 PolarHBondContact O-N 2.81Å; F135-M139 WeakPolarHBondContact O-CG 3.45Å; F135-M139 PolarHBondContact O-N 2.86Å; F135-F162 HydrophobicContact CB-CD1 4.42Å; F135-F162 HydrophobicContact CB-CE1 4.04Å; F135-F162 HydrophobicContact CB-CZ 4.1Å; F135-F162 HydrophobicContact CD1-CD1 4.41Å; F135-F162 HydrophobicContact CD1-CE1 4.33Å; F135-F162 HydrophobicContact CD2-CB 4.15Å; F135-F162 AromaticContact CD2-CD1 3.63Å; F135-F162 HydrophobicContact CD2-CD1 3.63Å; F135-F162 HydrophobicContact CD2-CD2 4.5Å; F135-F162 HydrophobicContact CD2-CE1 4.09Å; F135-F162 AromaticContact CD2-CG 3.85Å; F135-F162 HydrophobicContact CD2-CG 3.85Å; F135-F162 HydrophobicContact CE2-CB 4.11Å; F135-F162 AromaticContact CE2-CD1 3.94Å; F135-F162 HydrophobicContact CE2-CD1 3.94Å; F135-F162 HydrophobicContact CE2-CG 4.22Å; F135-F162 AromaticContact CG-CD1 3.91Å; F135-F162 HydrophobicContact CG-CD1 3.91Å; F135-F162 AromaticContact CG-CE1 3.9Å; F135-F162 HydrophobicContact CG-CE1 3.9Å; F135-F162 HydrophobicContact CG-CG 4.47Å; F135-F162 HydrophobicContact CG-CZ 4.44Å; F135-F162 HydrophobicContact CZ-CD1 4.46Å; F135-I185 HydrophobicContact CE1-CB 4.33Å; F135-I185 HydrophobicContact CE1-CG1 4.05Å; F135-I185 HydrophobicContact CE1-CG2 3.87Å; F135-I185 HydrophobicContact CZ-CB 4.02Å; F135-I185 HydrophobicContact CZ-CG1 3.96Å; F135-I185 HydrophobicContact CZ-CG2 3.87Å; F135-V195 HydrophobicContact CD1-CG1 3.92Å; F135-V195 HydrophobicContact CD1-CG2 3.82Å; F135-V195 HydrophobicContact CE1-CG2 3.93Å
136	R	89.6	Confident	88	Confident	22 Å²	22	34.3 Å²	34.3	8%	0.083	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-39.7	175.4	-69.3	179.4	-173.8	-87.5	6.9	111.8	Y121 R132 A133 I134 M139 R140 E152 P436	Y121-R136 PolarHBondContact OH-NH1 2.85Å; R132-R136 WeakPolarHBondContact O-CG 3.24Å; R132-R136 PolarHBondContact O-N 2.62Å; R132-R136 VanDerWaalsContact O-N 3.08Å; A133-R136 PolarHBondContact O-N 3.24Å; I134-R136 VanDerWaalsContact C-N 3.34Å; I134-R136 PolarHBondContact O-N 2.81Å; R136-M139 HydrophobicContact CB-CE 4.47Å; R136-M139 HydrophobicContact CG-CE 4.08Å; R136-M139 PolarHBondContact O-N 2.74Å; R136-R140 WeakPolarHBondContact O-CB 3.32Å; R136-R140 WeakPolarHBondContact O-CG 3.32Å; R136-R140 PolarHBondContact O-N 3.49Å; R136-E152 IonicContact CZ-OE1 3.72Å; R136-E152 IonicContact NH1-OE1 3.71Å; R136-E152 PolarHBondContact NH1-OE1 2.89Å; R136-E152 IonicContact NH2-OE1 3.64Å; R136-E152 PolarHBondContact NH2-OE1 2.82Å; R136-P436 HydrophobicContact CB-CG 4.21Å
137	Q	90.4	Very high	88.7	Confident	67 Å²	67	29 Å²	29	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-63.4	-43	176.4	-162	-177.3	44	0	0	111.5	A133 I134 R140 H141 F192 P436 D437	A133-Q137 WeakPolarHBondContact O-CB 3.47Å; A133-Q137 PolarHBondContact O-N 2.86Å; I134-Q137 PolarHBondContact O-N 2.84Å; Q137-R140 PolarHBondContact O-N 2.84Å; Q137-H141 WeakPolarHBondContact O-CB 3.5Å; Q137-H141 PolarHBondContact O-N 3.04Å; Q137-F192 HydrophobicContact CB-CD2 4.3Å; Q137-F192 HydrophobicContact CB-CE2 4.32Å; Q137-F192 HydrophobicContact CG-CD2 4.13Å; Q137-F192 HydrophobicContact CG-CE2 3.91Å; Q137-P436 HydrophobicContact CB-CG 4.24Å; Q137-D437 PolarHBondContact NE2-OD1 2.93Å
138	A	94.1	Very high	89.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-41.6	176.2	0	0	0	0	0	112.4	I134 F135 H141 W142 F192 V195 V196 L199	I134-A138 WeakPolarHBondContact O-CB 3.48Å; I134-A138 PolarHBondContact O-N 2.75Å; F135-A138 PolarHBondContact O-N 2.81Å; A138-H141 WeakPolarHBondContact O-CB 3.46Å; A138-H141 PolarHBondContact O-N 2.78Å; A138-W142 PolarHBondContact O-N 2.93Å; A138-F192 HydrophobicContact CB-CD2 4.43Å; A138-F192 HydrophobicContact CB-CE2 4.44Å; A138-V195 HydrophobicContact CB-CB 3.9Å; A138-V195 HydrophobicContact CB-CG1 3.65Å; A138-V196 HydrophobicContact CB-CG2 3.66Å; A138-L199 HydrophobicContact CB-CD1 3.82Å
139	M	94.6	Very high	89.9	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-47.4	172.6	-72.2	-175.2	-68.4	0	0	111.6	Y121 F135 R136 H141 W142 E143 F150 F162 L199	Y121-M139 HydrophobicContact CD1-CE 4.25Å; Y121-M139 HydrophobicContact CD1-SD 3.71Å; Y121-M139 HydrophobicContact CD2-CE 3.98Å; Y121-M139 HydrophobicContact CD2-SD 4.2Å; Y121-M139 HydrophobicContact CE1-CE 3.94Å; Y121-M139 HydrophobicContact CE1-SD 3.86Å; Y121-M139 HydrophobicContact CE2-CE 3.65Å; Y121-M139 HydrophobicContact CE2-SD 4.34Å; Y121-M139 HydrophobicContact CG-CE 4.27Å; Y121-M139 HydrophobicContact CG-SD 3.89Å; F135-M139 WeakPolarHBondContact O-CG 3.45Å; F135-M139 PolarHBondContact O-N 2.86Å; R136-M139 HydrophobicContact CB-CE 4.47Å; R136-M139 HydrophobicContact CG-CE 4.08Å; R136-M139 PolarHBondContact O-N 2.74Å; M139-H141 VanDerWaalsContact C-N 3.26Å; M139-H141 PolarHBondContact O-N 3.5Å; M139-W142 PolarHBondContact O-N 3.48Å; M139-W142 VanDerWaalsContact O-N 3.15Å; M139-E143 WeakPolarHBondContact O-CG 3.34Å; M139-E143 PolarHBondContact O-N 3.44Å; M139-F150 HydrophobicContact CB-CB 4.11Å; M139-F150 HydrophobicContact CB-CD1 4.39Å; M139-F150 HydrophobicContact CB-CD2 3.69Å; M139-F150 HydrophobicContact CB-CE2 4.18Å; M139-F150 HydrophobicContact CB-CG 3.81Å; M139-F150 HydrophobicContact CG-CB 4.19Å; M139-F150 HydrophobicContact CG-CD1 3.76Å; M139-F150 HydrophobicContact CG-CD2 3.94Å; M139-F150 HydrophobicContact CG-CE1 4.07Å; M139-F150 HydrophobicContact CG-CE2 4.24Å; M139-F150 HydrophobicContact CG-CG 3.69Å; M139-F150 HydrophobicContact CG-CZ 4.3Å; M139-F150 HydrophobicContact SD-CB 3.72Å; M139-F150 HydrophobicContact SD-CD1 3.61Å; M139-F150 HydrophobicContact SD-CE1 4.36Å; M139-F150 HydrophobicContact SD-CG 3.7Å; M139-F162 HydrophobicContact CE-CE2 4.41Å; M139-F162 HydrophobicContact SD-CE2 4.2Å; M139-F162 HydrophobicContact SD-CZ 4.41Å; M139-L199 HydrophobicContact CB-CD1 4.48Å; M139-L199 HydrophobicContact CG-CD1 3.7Å; M139-L199 HydrophobicContact CG-CD2 4.32Å
140	R	91.6	Very high	90.9	Very high	36 Å²	36	25.8 Å²	25.8	14%	0.136	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-38.6	176.3	-76.9	-179.5	76.4	144	2.8	111.7	R136 Q137 W142 E143 K144 Q311 T339 Y435	R136-R140 WeakPolarHBondContact O-CB 3.32Å; R136-R140 WeakPolarHBondContact O-CG 3.32Å; R136-R140 PolarHBondContact O-N 3.49Å; Q137-R140 PolarHBondContact O-N 2.84Å; R140-W142 PolarHBondContact O-N 2.79Å; R140-E143 PolarHBondContact O-N 3.1Å; R140-K144 WeakPolarHBondContact O-CB 3.27Å; R140-K144 PolarHBondContact O-N 2.8Å; R140-Q311 PolarHBondContact NH2-O 3.02Å; R140-Q311 PolarHBondContact O-NE2 3.35Å; R140-Q311 PolarHBondContact O-OE1 2.92Å; R140-T339 PolarHBondContact NH1-OG1 2.75Å; R140-Y435 PolarHBondContact NH1-O 2.76Å; R140-Y435 VanDerWaalsContact NH1-O 3.17Å
141	H	94.1	Very high	91.5	Very high	31 Å²	31	23.5 Å²	23.5	14%	0.144	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-41	177.4	-175.7	67.8	0	0	0	112.7	Q137 A138 M139 H145 F192 L289	Q137-H141 WeakPolarHBondContact O-CB 3.5Å; Q137-H141 PolarHBondContact O-N 3.04Å; A138-H141 WeakPolarHBondContact O-CB 3.46Å; A138-H141 PolarHBondContact O-N 2.78Å; M139-H141 VanDerWaalsContact C-N 3.26Å; M139-H141 PolarHBondContact O-N 3.5Å; H141-H145 AromaticContact CE1-CE1 3.48Å; H141-H145 PolarHBondContact CE1-CE1 3.01Å; H141-H145 VanDerWaalsContact CE1-CE1 3.48Å; H141-H145 AromaticContact CE1-ND1 3.81Å; H141-H145 AromaticContact ND1-CE1 3.54Å; H141-H145 AromaticContact ND1-ND1 3.8Å; H141-H145 PolarHBondContact O-ND1 2.84Å; H141-F192 HydrophobicContact CB-CE2 4.08Å; H141-F192 HydrophobicContact CB-CZ 3.79Å; H141-F192 AromaticContact CD2-CZ 3.99Å; H141-F192 AromaticContact CG-CZ 3.67Å; H141-L289 WeakPolarHBondContact NE2-CG 3.46Å; H141-L289 PolarHBondContact NE2-N 3.28Å
142	W	95.5	Very high	91.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.6	-44.8	172.2	-84.5	107.2	0	0	0	112.6	A138 M139 R140 K144 H145 T146 F150 V196 G200 I203 F205 L289 A297	A138-W142 PolarHBondContact O-N 2.93Å; M139-W142 PolarHBondContact O-N 3.48Å; M139-W142 VanDerWaalsContact O-N 3.15Å; R140-W142 PolarHBondContact O-N 2.79Å; W142-K144 VanDerWaalsContact C-N 3.32Å; W142-K144 PolarHBondContact O-N 2.8Å; W142-H145 PolarHBondContact O-N 2.89Å; W142-T146 HydrophobicContact CE3-CG2 3.95Å; W142-T146 HydrophobicContact CZ3-CG2 4.3Å; W142-T146 WeakPolarHBondContact O-CB 3.4Å; W142-T146 PolarHBondContact O-N 3.45Å; W142-T146 PolarHBondContact O-OG1 2.75Å; W142-F150 HydrophobicContact CB-CE2 3.88Å; W142-V196 PolarHBondContact NE1-O 2.93Å; W142-G200 VanDerWaalsContact CZ2-CA 3.5Å; W142-I203 HydrophobicContact CB-CD1 4.25Å; W142-I203 HydrophobicContact CD2-CD1 3.2Å; W142-I203 HydrophobicContact CE3-CD1 3.32Å; W142-I203 HydrophobicContact CG-CD1 3.66Å; W142-I203 HydrophobicContact CH2-CD1 4.01Å; W142-I203 HydrophobicContact CZ2-CD1 3.92Å; W142-I203 HydrophobicContact CZ3-CD1 3.74Å; W142-F205 HydrophobicContact CH2-CD2 4.15Å; W142-F205 AromaticContact CH2-CE2 3.83Å; W142-F205 HydrophobicContact CH2-CE2 3.83Å; W142-F205 HydrophobicContact CH2-CZ 4.47Å; W142-F205 HydrophobicContact CZ3-CE2 4.39Å; W142-L289 HydrophobicContact CD2-CD1 3.69Å; W142-L289 HydrophobicContact CD2-CD2 4.04Å; W142-L289 HydrophobicContact CD2-CG 4.48Å; W142-L289 HydrophobicContact CE3-CD1 3.65Å; W142-L289 HydrophobicContact CE3-CD2 4.15Å; W142-L289 HydrophobicContact CG-CD1 4.16Å; W142-L289 HydrophobicContact CH2-CD1 4.48Å; W142-L289 HydrophobicContact CH2-CD2 3.48Å; W142-L289 VanDerWaalsContact CH2-CD2 3.48Å; W142-L289 HydrophobicContact CZ2-CD2 3.33Å; W142-L289 HydrophobicContact CZ3-CD1 4.06Å; W142-L289 HydrophobicContact CZ3-CD2 3.89Å; W142-A297 HydrophobicContact CZ3-CB 3.99Å
143	E	93.6	Very high	91.8	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-37.6	177.7	-68	-167.9	147.7	0	0	112.5	M139 R140 H145 V148 F150 S309 Q311 R395	M139-E143 WeakPolarHBondContact O-CG 3.34Å; M139-E143 PolarHBondContact O-N 3.44Å; R140-E143 PolarHBondContact O-N 3.1Å; E143-H145 VanDerWaalsContact C-N 3.34Å; E143-H145 PolarHBondContact O-N 2.81Å; E143-V148 WeakPolarHBondContact CA-O 3.27Å; E143-V148 WeakPolarHBondContact CG-O 3.33Å; E143-F150 HydrophobicContact CG-CD2 3.86Å; E143-F150 PolarHBondContact OE1-N 2.9Å; E143-S309 WeakPolarHBondContact O-CB 3.08Å; E143-S309 PolarHBondContact O-OG 2.83Å; E143-Q311 VanDerWaalsContact CB-NE2 3.27Å; E143-Q311 PolarHBondContact OE2-NE2 3.17Å; E143-R395 IonicContact OE1-CZ 2.94Å; E143-R395 IonicContact OE1-NH1 3.82Å; E143-R395 PolarHBondContact OE1-NH1 2.89Å; E143-R395 IonicContact OE1-NH2 2.82Å; E143-R395 PolarHBondContact OE1-NH2 3.03Å; E143-R395 IonicContact OE2-NH1 3.17Å; E143-R395 IonicContact OE2-NH2 2.8Å
144	K	92.2	Very high	91.8	Very high	104 Å²	104	33.6 Å²	33.6	45%	0.452	16%	0.159	S	C	.	.	H	α-helix	trans	-63	-39.3	-179.4	-177.7	169.8	-178.8	166.6	0	112.3	R140 W142	R140-K144 WeakPolarHBondContact O-CB 3.27Å; R140-K144 PolarHBondContact O-N 2.8Å; W142-K144 VanDerWaalsContact C-N 3.32Å; W142-K144 PolarHBondContact O-N 2.8Å
145	H	92.4	Very high	91.5	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.259	19%	0.188	S	C	.	.	H	α-helix	trans	-96.7	-18.9	-173.8	-61.8	90.7	0	0	0	113.2	H141 W142 E143 I294 R298	H141-H145 AromaticContact CE1-CE1 3.48Å; H141-H145 PolarHBondContact CE1-CE1 3.01Å; H141-H145 VanDerWaalsContact CE1-CE1 3.48Å; H141-H145 AromaticContact CE1-ND1 3.81Å; H141-H145 AromaticContact ND1-CE1 3.54Å; H141-H145 AromaticContact ND1-ND1 3.8Å; H141-H145 PolarHBondContact O-ND1 2.84Å; W142-H145 PolarHBondContact O-N 2.89Å; E143-H145 VanDerWaalsContact C-N 3.34Å; E143-H145 PolarHBondContact O-N 2.81Å; H145-I294 HydrophobicContact CB-CD1 3.77Å; H145-I294 HydrophobicContact CB-CG1 3.78Å; H145-I294 HydrophobicContact CB-CG2 4.18Å; H145-I294 WeakPolarHBondContact O-CG2 3.5Å; H145-R298 VanDerWaalsContact O-CZ 3.28Å; H145-R298 PolarHBondContact O-NE 2.74Å; H145-R298 PolarHBondContact O-NH2 2.8Å
146	T	93.4	Very high	91.4	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.037	20%	0.199	C	C	.	.	S	Bend	trans	-124.7	-175.6	-175.6	76	0	0	0	0	111.8	W142 V148 A297 S309	W142-T146 HydrophobicContact CE3-CG2 3.95Å; W142-T146 HydrophobicContact CZ3-CG2 4.3Å; W142-T146 WeakPolarHBondContact O-CB 3.4Å; W142-T146 PolarHBondContact O-N 3.45Å; W142-T146 PolarHBondContact O-OG1 2.75Å; T146-V148 PolarHBondContact OG1-N 2.79Å; T146-A297 HydrophobicContact CG2-CB 3.76Å; T146-S309 PolarHBondContact O-OG 3.26Å
147	C	91.7	Very high	91.3	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.054	22%	0.224	C	C	.	.	S	Bend	trans	-99.6	3.9	170.2	65.1	0	0	0	0	113.6	T149 C303	C147-T149 PolarHBondContact O-OG1 2.84Å; C147-C303 HydrophobicContact CB-CB 3.71Å; C147-C303 WeakPolarHBondContact CB-SG 3.28Å; C147-C303 PolarHBondContact N-SG 2.83Å; C147-C303 WeakPolarHBondContact SG-CA 3.4Å; C147-C303 WeakPolarHBondContact SG-CB 2.97Å; C147-C303 CovalentContact SG-SG 2.01Å; C147-C303 PolarHBondContact SG-SG 3.17Å
148	V	93.8	Very high	91.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.			trans	-65.8	140.6	172.4	177.5	0	0	0	0	108.4	G117 I119 E143 T146 F150 I203 Y301	G117-V148 CarbonylContact O-C 3.42Å; G117-V148 WeakPolarHBondContact O-CA 3.17Å; I119-V148 HydrophobicContact CD1-CG1 3.46Å; I119-V148 VanDerWaalsContact CD1-CG1 3.46Å; I119-V148 HydrophobicContact CG1-CG1 3.93Å; E143-V148 WeakPolarHBondContact CA-O 3.27Å; E143-V148 WeakPolarHBondContact CG-O 3.33Å; T146-V148 PolarHBondContact OG1-N 2.79Å; V148-F150 HydrophobicContact CG1-CE2 4Å; V148-F150 HydrophobicContact CG1-CZ 4.23Å; V148-I203 HydrophobicContact CG1-CD1 4.46Å; V148-I203 HydrophobicContact CG1-CG1 4.35Å; V148-Y301 HydrophobicContact CG2-CD1 4.43Å; V148-Y301 HydrophobicContact CG2-CD2 3.55Å; V148-Y301 HydrophobicContact CG2-CE2 3.79Å; V148-Y301 HydrophobicContact CG2-CG 3.91Å
149	T	92.6	Very high	91.3	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.9	-175.8	-54.8	0	0	0	0	109.6	G117 V118 I119 C147 I151 Y370 R395	G117-T149 PolarHBondContact O-N 2.92Å; V118-T149 WeakPolarHBondContact CA-O 3.42Å; I119-T149 PolarHBondContact N-O 2.83Å; C147-T149 PolarHBondContact O-OG1 2.84Å; T149-I151 HydrophobicContact CG2-CG2 4.14Å; T149-Y370 HydrophobicContact CG2-CD2 4.42Å; T149-R395 VanDerWaalsContact CG2-NH1 3.27Å
150	F	94	Very high	91.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.1	176.3	-65.9	-90.6	0	0	0	109.6	I119 Y121 M139 W142 E143 V148 I160 L199 I203 R395	I119-F150 HydrophobicContact CB-CD1 3.78Å; I119-F150 HydrophobicContact CB-CE1 3.91Å; I119-F150 HydrophobicContact CD1-CE1 3.84Å; I119-F150 HydrophobicContact CD1-CZ 4.01Å; I119-F150 HydrophobicContact CG1-CE1 4.4Å; I119-F150 HydrophobicContact CG2-CD1 3.93Å; I119-F150 HydrophobicContact CG2-CE1 3.86Å; I119-F150 WeakPolarHBondContact O-CA 3.16Å; Y121-F150 HydrophobicContact CD1-CB 3.95Å; Y121-F150 HydrophobicContact CE1-CB 3.99Å; M139-F150 HydrophobicContact CB-CB 4.11Å; M139-F150 HydrophobicContact CB-CD1 4.39Å; M139-F150 HydrophobicContact CB-CD2 3.69Å; M139-F150 HydrophobicContact CB-CE2 4.18Å; M139-F150 HydrophobicContact CB-CG 3.81Å; M139-F150 HydrophobicContact CG-CB 4.19Å; M139-F150 HydrophobicContact CG-CD1 3.76Å; M139-F150 HydrophobicContact CG-CD2 3.94Å; M139-F150 HydrophobicContact CG-CE1 4.07Å; M139-F150 HydrophobicContact CG-CE2 4.24Å; M139-F150 HydrophobicContact CG-CG 3.69Å; M139-F150 HydrophobicContact CG-CZ 4.3Å; M139-F150 HydrophobicContact SD-CB 3.72Å; M139-F150 HydrophobicContact SD-CD1 3.61Å; M139-F150 HydrophobicContact SD-CE1 4.36Å; M139-F150 HydrophobicContact SD-CG 3.7Å; W142-F150 HydrophobicContact CB-CE2 3.88Å; E143-F150 HydrophobicContact CG-CD2 3.86Å; E143-F150 PolarHBondContact OE1-N 2.9Å; V148-F150 HydrophobicContact CG1-CE2 4Å; V148-F150 HydrophobicContact CG1-CZ 4.23Å; F150-I160 HydrophobicContact CD1-CD1 4.47Å; F150-I160 HydrophobicContact CE1-CD1 4.32Å; F150-L199 HydrophobicContact CE1-CD2 3.81Å; F150-L199 HydrophobicContact CZ-CD2 4.08Å; F150-I203 HydrophobicContact CZ-CD1 4.34Å; F150-I203 HydrophobicContact CZ-CG1 4.48Å; F150-R395 PolarHBondContact O-NH2 3.46Å
151	I	91.3	Very high	91.4	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.1	179.4	64.7	172.4	0	0	0	110.3	V118 I119 P120 Y121 T149 R153 E156 Y370	V118-I151 HydrophobicContact CG1-CD1 3.52Å; V118-I151 HydrophobicContact CG1-CG1 3.86Å; V118-I151 HydrophobicContact CG1-CG2 4.31Å; I119-I151 PolarHBondContact O-N 3.37Å; I119-I151 VanDerWaalsContact O-N 3.07Å; P120-I151 CarbonylContact C-O 3.53Å; P120-I151 WeakPolarHBondContact CA-O 3.33Å; P120-I151 HydrophobicContact CB-CG1 4.07Å; P120-I151 HydrophobicContact CG-CD1 4.35Å; P120-I151 HydrophobicContact CG-CG1 4.23Å; Y121-I151 VanDerWaalsContact CD1-C 3.45Å; Y121-I151 WeakPolarHBondContact CD1-O 3.47Å; Y121-I151 WeakPolarHBondContact CE1-O 3.47Å; Y121-I151 PolarHBondContact N-O 3.12Å; T149-I151 HydrophobicContact CG2-CG2 4.14Å; I151-R153 PolarHBondContact O-N 2.96Å; I151-E156 WeakPolarHBondContact CD1-OE1 2.96Å; I151-Y370 HydrophobicContact CD1-CE1 4.29Å; I151-Y370 HydrophobicContact CD1-CE2 4.17Å; I151-Y370 HydrophobicContact CG2-CD1 4.05Å; I151-Y370 HydrophobicContact CG2-CD2 3.99Å; I151-Y370 HydrophobicContact CG2-CE1 4.18Å; I151-Y370 HydrophobicContact CG2-CE2 4.12Å; I151-Y370 HydrophobicContact CG2-CG 3.97Å
152	E	88.3	Confident	91.3	Very high	88 Å²	88	42.7 Å²	42.7	41%	0.411	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.7	168.3	-69.6	-172.3	-179.6	0	0	108.9	Y121 R136 T154	Y121-E152 HydrophobicContact CE1-CG 4.07Å; Y121-E152 HydrophobicContact CE2-CG 3.89Å; Y121-E152 WeakPolarHBondContact OH-CG 3.48Å; R136-E152 IonicContact CZ-OE1 3.72Å; R136-E152 IonicContact NH1-OE1 3.71Å; R136-E152 PolarHBondContact NH1-OE1 2.89Å; R136-E152 IonicContact NH2-OE1 3.64Å; R136-E152 PolarHBondContact NH2-OE1 2.82Å; E152-T154 PolarHBondContact O-N 2.81Å
153	R	88.9	Confident	90.9	Very high	97 Å²	97	43.2 Å²	43.2	37%	0.366	21%	0.208	S	C	.	.			trans	-63.4	133.8	-177	-176.1	-168.8	-179	-128.5	-3.3	110.8	P120 Y121 V122 I151 E156 Y159	P120-R153 HydrophobicContact CB-CB 4.32Å; Y121-R153 PolarHBondContact O-N 3.41Å; V122-R153 HydrophobicContact CG2-CB 3.78Å; I151-R153 PolarHBondContact O-N 2.96Å; R153-E156 PolarHBondContact NE-O 2.81Å; R153-E156 PolarHBondContact NH2-O 3.14Å; R153-E156 VanDerWaalsContact NH2-O 3.09Å; R153-Y159 VanDerWaalsContact CD-CG 3.45Å; R153-Y159 HydrophobicContact CG-CG 4.3Å; R153-Y159 VanDerWaalsContact CZ-CZ 3.48Å; R153-Y159 PolarHBondContact NH1-OH 2.85Å
154	T	84.4	Confident	90.5	Very high	108 Å²	108	47.3 Å²	47.3	66%	0.663	22%	0.224	S	C	*	.	S	Bend	trans	-110.6	-70	170.1	60.2	0	0	0	0	110.7	E152 E156	E152-T154 PolarHBondContact O-N 2.81Å; T154-E156 PolarHBondContact N-OE2 2.89Å; T154-E156 PolarHBondContact OG1-OE1 3.27Å; T154-E156 PolarHBondContact OG1-OE2 3.21Å
155	Q	83.9	Confident	89.9	Confident	182 Å²	182	46.1 Å²	46.1	85%	0.85	22%	0.216	S	C	*	.	S	Bend	trans	-130.3	0	-175.9	-60.4	-177	22.7	0	0	112.6	E157	Q155-E157 PolarHBondContact O-N 2.98Å
156	E	88.6	Confident	88.9	Confident	47 Å²	47	49.5 Å²	49.5	22%	0.22	24%	0.243	C	C	.	.			trans	-64.1	136.1	-175.3	-60	81.8	-179.9	0	0	111.1	P120 I151 R153 T154	P120-E156 HydrophobicContact CB-CB 3.99Å; P120-E156 HydrophobicContact CB-CG 4.15Å; P120-E156 HydrophobicContact CG-CB 3.62Å; P120-E156 HydrophobicContact CG-CG 3.62Å; I151-E156 WeakPolarHBondContact CD1-OE1 2.96Å; R153-E156 PolarHBondContact NE-O 2.81Å; R153-E156 PolarHBondContact NH2-O 3.14Å; R153-E156 VanDerWaalsContact NH2-O 3.09Å; T154-E156 PolarHBondContact N-OE2 2.89Å; T154-E156 PolarHBondContact OG1-OE1 3.27Å; T154-E156 PolarHBondContact OG1-OE2 3.21Å
157	E	87.9	Confident	87.8	Confident	129 Å²	129	52 Å²	52	60%	0.603	26%	0.26	S	S	*	.	S	Bend	trans	-74.5	-46.4	-178.3	-171.1	-163.1	157.2	0	0	111.7	Q155 Y159 G179	Q155-E157 PolarHBondContact O-N 2.98Å; E157-Y159 VanDerWaalsContact O-CD1 3.27Å; E157-Y159 WeakPolarHBondContact O-CD1 3.36Å; E157-G179 CarbonylContact O-C 3.54Å; E157-G179 VanDerWaalsContact O-C 3.3Å; E157-G179 WeakPolarHBondContact O-CA 3.35Å
158	S	91.2	Very high	87.3	Confident	11 Å²	11	52.7 Å²	52.7	8%	0.077	27%	0.269	C	S	.	.	S	Bend	trans	-95.8	125.1	178	-45.8	0	0	0	0	110.2	R175 G177 G179	S158-R175 PolarHBondContact OG-NE 2.85Å; S158-R175 PolarHBondContact OG-NH2 2.82Å; S158-G177 WeakPolarHBondContact OG-CA 3.02Å; S158-G179 WeakPolarHBondContact CA-O 3.36Å
159	Y	93.7	Very high	86.9	Confident	17 Å²	17	54.3 Å²	54.3	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.9	-176.9	61.4	-81	0	0	0	111.2	P120 V122 R153 E157 V161 P180 Q181	P120-Y159 CarbonylContact O-C 3.58Å; P120-Y159 VanDerWaalsContact O-CA 3.27Å; P120-Y159 WeakPolarHBondContact O-CA 3.26Å; P120-Y159 VanDerWaalsContact O-CB 3.3Å; P120-Y159 WeakPolarHBondContact O-CB 3.43Å; V122-Y159 HydrophobicContact CB-CD2 4.47Å; V122-Y159 HydrophobicContact CB-CE2 4.47Å; V122-Y159 HydrophobicContact CG2-CD2 3.84Å; V122-Y159 HydrophobicContact CG2-CE2 3.86Å; R153-Y159 VanDerWaalsContact CD-CG 3.45Å; R153-Y159 HydrophobicContact CG-CG 4.3Å; R153-Y159 VanDerWaalsContact CZ-CZ 3.48Å; R153-Y159 PolarHBondContact NH1-OH 2.85Å; E157-Y159 VanDerWaalsContact O-CD1 3.27Å; E157-Y159 WeakPolarHBondContact O-CD1 3.36Å; Y159-V161 HydrophobicContact CD2-CG2 3.62Å; Y159-V161 HydrophobicContact CE2-CG2 3.38Å; Y159-P180 HydrophobicContact CD1-CB 4.42Å; Y159-P180 HydrophobicContact CD2-CB 4.19Å; Y159-P180 HydrophobicContact CE1-CB 3.84Å; Y159-P180 HydrophobicContact CE1-CG 4.13Å; Y159-P180 HydrophobicContact CE2-CB 3.64Å; Y159-P180 HydrophobicContact CE2-CG 4.46Å; Y159-P180 VanDerWaalsContact CZ-CB 3.43Å; Y159-P180 CarbonylContact O-C 3.5Å; Y159-P180 WeakPolarHBondContact O-CA 3.28Å; Y159-Q181 PolarHBondContact O-N 2.77Å
160	I	94.8	Very high	86.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147.6	174.1	67.9	176.9	0	0	0	111.6	W114 I119 P120 Y121 V122 F150 F162 Q181 L199 V202	W114-I160 HydrophobicContact CH2-CG2 4.13Å; W114-I160 HydrophobicContact CZ2-CG2 3.81Å; I119-I160 HydrophobicContact CG2-CD1 4.11Å; I119-I160 HydrophobicContact CG2-CG1 4.33Å; I119-I160 HydrophobicContact CG2-CG2 4.12Å; P120-I160 PolarHBondContact O-N 3Å; Y121-I160 CarbonylContact C-O 3.5Å; Y121-I160 VanDerWaalsContact CA-O 3.3Å; Y121-I160 WeakPolarHBondContact CA-O 3.33Å; Y121-I160 VanDerWaalsContact CB-CG1 3.43Å; V122-I160 PolarHBondContact N-O 2.02Å; F150-I160 HydrophobicContact CD1-CD1 4.47Å; F150-I160 HydrophobicContact CE1-CD1 4.32Å; I160-F162 HydrophobicContact CD1-CE2 4.06Å; I160-F162 HydrophobicContact CD1-CZ 4.46Å; I160-Q181 CarbonylContact C-O 3.02Å; I160-Q181 VanDerWaalsContact CA-O 3.29Å; I160-Q181 WeakPolarHBondContact CA-O 3.36Å; I160-Q181 HydrophobicContact CB-CG 4.5Å; I160-Q181 HydrophobicContact CG2-CG 3.86Å; I160-L199 HydrophobicContact CD1-CD2 4.08Å; I160-V202 HydrophobicContact CD1-CG1 4.23Å; I160-V202 HydrophobicContact CG2-CG1 3.55Å; I160-V202 HydrophobicContact CG2-CG2 4.19Å
161	V	92.3	Very high	86.5	Confident	12 Å²	12	54 Å²	54	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.8	176.1	-170.6	0	0	0	0	109.7	V122 Y159 T163 P180 Q181 A182 I183	V122-V161 HydrophobicContact CB-CG1 4.47Å; V122-V161 HydrophobicContact CB-CG2 4.45Å; V122-V161 WeakPolarHBondContact O-CA 3.49Å; Y159-V161 HydrophobicContact CD2-CG2 3.62Å; Y159-V161 HydrophobicContact CE2-CG2 3.38Å; V161-T163 HydrophobicContact CB-CG2 4.33Å; V161-T163 HydrophobicContact CG1-CG2 3.77Å; V161-T163 PolarHBondContact O-N 3.44Å; V161-P180 HydrophobicContact CG2-CB 3.63Å; V161-Q181 PolarHBondContact N-O 3.3Å; V161-A182 WeakPolarHBondContact O-CA 3.32Å; V161-I183 WeakPolarHBondContact O-CG2 3.27Å; V161-I183 PolarHBondContact O-N 3.13Å
162	F	91.8	Very high	86.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.8	169.8	-69	-94.7	0	0	0	109.2	V122 I123 S124 F127 F135 M139 I160 I183 I185 V195 L199	V122-F162 PolarHBondContact O-N 2.91Å; I123-F162 HydrophobicContact CB-CB 4.45Å; I123-F162 HydrophobicContact CG1-CB 4.38Å; I123-F162 HydrophobicContact CG1-CD2 3.74Å; I123-F162 HydrophobicContact CG1-CE2 4.39Å; I123-F162 HydrophobicContact CG1-CG 4.3Å; I123-F162 HydrophobicContact CG2-CB 4.14Å; S124-F162 WeakPolarHBondContact CB-O 3.48Å; S124-F162 PolarHBondContact N-O 3.1Å; S124-F162 VanDerWaalsContact N-O 3.09Å; F127-F162 HydrophobicContact CE2-CB 4.11Å; F127-F162 WeakPolarHBondContact CE2-O 3.07Å; F135-F162 HydrophobicContact CB-CD1 4.42Å; F135-F162 HydrophobicContact CB-CE1 4.04Å; F135-F162 HydrophobicContact CB-CZ 4.1Å; F135-F162 HydrophobicContact CD1-CD1 4.41Å; F135-F162 HydrophobicContact CD1-CE1 4.33Å; F135-F162 HydrophobicContact CD2-CB 4.15Å; F135-F162 AromaticContact CD2-CD1 3.63Å; F135-F162 HydrophobicContact CD2-CD1 3.63Å; F135-F162 HydrophobicContact CD2-CD2 4.5Å; F135-F162 HydrophobicContact CD2-CE1 4.09Å; F135-F162 AromaticContact CD2-CG 3.85Å; F135-F162 HydrophobicContact CD2-CG 3.85Å; F135-F162 HydrophobicContact CE2-CB 4.11Å; F135-F162 AromaticContact CE2-CD1 3.94Å; F135-F162 HydrophobicContact CE2-CD1 3.94Å; F135-F162 HydrophobicContact CE2-CG 4.22Å; F135-F162 AromaticContact CG-CD1 3.91Å; F135-F162 HydrophobicContact CG-CD1 3.91Å; F135-F162 AromaticContact CG-CE1 3.9Å; F135-F162 HydrophobicContact CG-CE1 3.9Å; F135-F162 HydrophobicContact CG-CG 4.47Å; F135-F162 HydrophobicContact CG-CZ 4.44Å; F135-F162 HydrophobicContact CZ-CD1 4.46Å; M139-F162 HydrophobicContact CE-CE2 4.41Å; M139-F162 HydrophobicContact SD-CE2 4.2Å; M139-F162 HydrophobicContact SD-CZ 4.41Å; I160-F162 HydrophobicContact CD1-CE2 4.06Å; I160-F162 HydrophobicContact CD1-CZ 4.46Å; F162-I183 HydrophobicContact CB-CG2 4.3Å; F162-I183 HydrophobicContact CD1-CD1 4.32Å; F162-I183 HydrophobicContact CD1-CG2 3.73Å; F162-I183 HydrophobicContact CD2-CG2 4.18Å; F162-I183 HydrophobicContact CE1-CD1 3.87Å; F162-I183 HydrophobicContact CE1-CG2 4.07Å; F162-I183 HydrophobicContact CE2-CG2 4.49Å; F162-I183 HydrophobicContact CG-CG2 3.8Å; F162-I183 HydrophobicContact CZ-CD1 4.48Å; F162-I183 HydrophobicContact CZ-CG2 4.45Å; F162-I185 HydrophobicContact CD1-CG1 3.97Å; F162-V195 HydrophobicContact CE1-CG1 4.08Å; F162-L199 HydrophobicContact CZ-CD2 4.05Å
163	T	88.7	Confident	86.5	Confident	11 Å²	11	50 Å²	50	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.3	-178.3	61.5	0	0	0	0	111.2	F127 V161 A182 I183 S184 I185	F127-T163 WeakPolarHBondContact CZ-O 3.23Å; V161-T163 HydrophobicContact CB-CG2 4.33Å; V161-T163 HydrophobicContact CG1-CG2 3.77Å; V161-T163 PolarHBondContact O-N 3.44Å; T163-A182 HydrophobicContact CG2-CB 4.26Å; T163-I183 PolarHBondContact N-O 2.99Å; T163-I183 PolarHBondContact OG1-O 3.34Å; T163-S184 WeakPolarHBondContact O-CA 3.4Å; T163-I185 PolarHBondContact O-N 3.29Å
164	Y	84.9	Confident	86.6	Confident	96 Å²	96	45.3 Å²	45.3	38%	0.376	24%	0.242	S	C	.	.			trans	-95.2	123.7	171.9	177.8	-90.4	0	0	0	108.8	I185 K187	Y164-I185 WeakPolarHBondContact CD2-O 3.47Å; Y164-K187 HydrophobicContact CE2-CB 4.41Å
165	R	80.3	Confident	87	Confident	78 Å²	78	43.2 Å²	43.2	29%	0.294	22%	0.222	S	C	.	.			trans	-136.2	151.9	177.3	-55	-71.1	-174.1	-160.9	6.7	111.8	D44 C46 C167 S184	D44-R165 IonicContact OD1-NE 2.68Å; C46-R165 WeakPolarHBondContact SG-CB 3.3Å; R165-C167 VanDerWaalsContact C-N 3.26Å; R165-C167 PolarHBondContact O-N 3.48Å; R165-S184 WeakPolarHBondContact CB-OG 3.41Å
166	P	71.4	Confident	87.1	Confident	127 Å²	127	37.3 Å²	37.3	83%	0.825	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16	-177.5	26.7	-34	0	0	0	114.2	G168	P166-G168 PolarHBondContact O-N 3.34Å
167	C	69.4	Low	86.6	Confident	59 Å²	59	36.2 Å²	36.2	40%	0.399	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.1	-179.2	75.7	0	0	0	0	115	C46 R165	C46-C167 WeakPolarHBondContact CA-SG 3.32Å; C46-C167 HydrophobicContact CB-CB 3.53Å; C46-C167 WeakPolarHBondContact CB-SG 3.17Å; C46-C167 WeakPolarHBondContact SG-CB 3.21Å; C46-C167 CovalentContact SG-SG 2.01Å; C46-C167 PolarHBondContact SG-SG 2.95Å; R165-C167 VanDerWaalsContact C-N 3.26Å; R165-C167 PolarHBondContact O-N 3.48Å
168	G	81.1	Confident	86.2	Confident	23 Å²	23	33.2 Å²	33.2	24%	0.237	20%	0.197	C	C	.	.			trans	99.2	-153.6	178.1	0	0	0	0	0	113.7	P166 S184 G186	P166-G168 PolarHBondContact O-N 3.34Å; G168-S184 WeakPolarHBondContact O-CB 3.41Å; G168-S184 PolarHBondContact O-OG 2.95Å; G168-G186 PolarHBondContact O-N 2.79Å
169	C	86.2	Confident	85.8	Confident	34 Å²	34	33.4 Å²	33.4	23%	0.23	20%	0.2	C	C	.	.	S	Bend	trans	-87.7	123.2	176.3	-17.5	0	0	0	0	108.1	D54 S184 C189 I194 E198	D54-C169 VanDerWaalsContact CB-O 3.24Å; D54-C169 WeakPolarHBondContact CB-O 3.22Å; C169-S184 VanDerWaalsContact CA-O 3.3Å; C169-S184 WeakPolarHBondContact CA-O 3.46Å; C169-C189 VanDerWaalsContact CA-SG 3.51Å; C169-C189 HydrophobicContact CB-CB 3.74Å; C169-C189 WeakPolarHBondContact CB-SG 3.49Å; C169-C189 PolarHBondContact N-SG 3.49Å; C169-C189 WeakPolarHBondContact SG-CB 3.45Å; C169-C189 CovalentContact SG-SG 2.01Å; C169-C189 PolarHBondContact SG-SG 3.38Å; C169-I194 HydrophobicContact CB-CG2 4.1Å; C169-E198 HydrophobicContact CB-CG 4.28Å; C169-E198 VanDerWaalsContact CB-OE1 3.32Å; C169-E198 WeakPolarHBondContact CB-OE1 3.3Å
170	C	87.2	Confident	85.5	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.02	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-158.8	156.3	174.4	63.8	0	0	0	0	112.8	D54 S184 E198	D54-C170 CarbonylContact O-C 3.54Å; D54-C170 WeakPolarHBondContact O-CA 3.37Å; D54-C170 WeakPolarHBondContact O-CB 3.34Å; C170-S184 PolarHBondContact N-O 2.87Å; C170-S184 VanDerWaalsContact N-O 3.09Å; C170-S184 PolarHBondContact O-N 2.94Å; C170-S184 VanDerWaalsContact SG-CB 3.53Å; C170-E198 VanDerWaalsContact C-OE2 3.25Å; C170-E198 WeakPolarHBondContact CA-OE2 3.42Å
171	S	90	Very high	85.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-151.1	159.8	-177.4	-170.8	0	0	0	0	111.7	D54 I55 A56 E198 V202	D54-S171 PolarHBondContact O-N 2.87Å; I55-S171 WeakPolarHBondContact CA-O 3.42Å; A56-S171 PolarHBondContact N-O 3.23Å; S171-E198 WeakPolarHBondContact CB-OE2 3.29Å; S171-E198 PolarHBondContact N-OE2 3.03Å; S171-E198 PolarHBondContact OG-O 3Å; S171-V202 VanDerWaalsContact OG-CG2 3.28Å; S171-V202 WeakPolarHBondContact OG-CG2 3.44Å
172	Y	89.1	Confident	85.1	Confident	6 Å²	6	33.8 Å²	33.8	2%	0.024	21%	0.205	C	C	.	.			trans	-85.9	148.4	171.6	-69.4	-79.7	0	0	0	110.5	K43 P45 A56 G174 R176 Q181 H201	K43-Y172 PolarHBondContact O-OH 3.39Å; P45-Y172 HydrophobicContact CB-CD2 4.43Å; P45-Y172 HydrophobicContact CB-CE2 3.75Å; P45-Y172 HydrophobicContact CG-CE2 4.47Å; A56-Y172 HydrophobicContact CB-CD1 3.78Å; A56-Y172 HydrophobicContact CB-CE1 3.57Å; A56-Y172 HydrophobicContact CB-CE2 4.34Å; A56-Y172 HydrophobicContact CB-CG 4.25Å; A56-Y172 VanDerWaalsContact O-CD1 3.27Å; A56-Y172 WeakPolarHBondContact O-CD1 3.24Å; Y172-G174 PolarHBondContact O-N 3.14Å; Y172-R176 HydrophobicContact CG-CG 4.45Å; Y172-R176 PolarHBondContact OH-NH1 2.79Å; Y172-R176 VanDerWaalsContact OH-NH1 3.17Å; Y172-Q181 HydrophobicContact CD2-CB 4.29Å; Y172-H201 CarbonylContact O-C 3.53Å; Y172-H201 VanDerWaalsContact O-C 3.28Å
173	V	90	Very high	85.1	Confident	9 Å²	9	33.9 Å²	33.9	6%	0.055	21%	0.205	C	C	.	.	S	Bend	trans	-82.2	111.5	176.3	-178.2	0	0	0	0	110.9	I55 H201 W206	I55-V173 HydrophobicContact CD1-CG2 4.08Å; I55-V173 HydrophobicContact CG1-CG2 4.37Å; I55-V173 HydrophobicContact CG2-CG2 3.65Å; V173-H201 CarbonylContact C-O 3.59Å; V173-H201 VanDerWaalsContact CA-O 3.29Å; V173-H201 WeakPolarHBondContact CA-O 3.4Å; V173-H201 HydrophobicContact CG2-CB 4.48Å; V173-W206 HydrophobicContact CB-CH2 4.33Å; V173-W206 HydrophobicContact CB-CZ2 4.11Å; V173-W206 HydrophobicContact CG1-CD2 4.19Å; V173-W206 HydrophobicContact CG1-CG 4.45Å; V173-W206 HydrophobicContact CG1-CZ2 4.12Å; V173-W206 HydrophobicContact CG2-CD2 4Å; V173-W206 HydrophobicContact CG2-CE3 3.9Å; V173-W206 HydrophobicContact CG2-CH2 4.05Å; V173-W206 HydrophobicContact CG2-CZ2 4.19Å; V173-W206 HydrophobicContact CG2-CZ3 3.92Å
174	G	91.4	Very high	85.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	76.4	-167.2	176.9	0	0	0	0	0	113.9	R112 Y172 Q181 H201 V202	R112-G174 CarbonylContact O-C 3.41Å; R112-G174 WeakPolarHBondContact O-CA 3.49Å; Y172-G174 PolarHBondContact O-N 3.14Å; G174-Q181 PolarHBondContact O-NE2 3.45Å; G174-H201 PolarHBondContact N-O 2.8Å; G174-V202 CarbonylContact C-O 3.44Å; G174-V202 VanDerWaalsContact CA-O 3.24Å; G174-V202 WeakPolarHBondContact CA-O 3.31Å
175	R	92.3	Very high	85.3	Confident	63 Å²	63	28.9 Å²	28.9	24%	0.238	19%	0.185	C	C	.	.			trans	-76.6	129	175.6	-178.9	178.4	167.9	-89.6	-4.9	110.8	R112 W114 S158	R112-R175 WeakPolarHBondContact CA-O 3.36Å; R112-R175 PolarHBondContact O-N 3.28Å; W114-R175 HydrophobicContact CD2-CB 3.74Å; W114-R175 HydrophobicContact CD2-CG 4.06Å; W114-R175 HydrophobicContact CE3-CB 4.22Å; W114-R175 HydrophobicContact CE3-CG 4.01Å; W114-R175 HydrophobicContact CG-CB 4.03Å; W114-R175 HydrophobicContact CH2-CB 4.5Å; W114-R175 HydrophobicContact CH2-CG 4.2Å; W114-R175 HydrophobicContact CZ2-CB 4.06Å; W114-R175 HydrophobicContact CZ2-CG 4.25Å; W114-R175 HydrophobicContact CZ3-CG 4.08Å; S158-R175 PolarHBondContact OG-NE 2.85Å; S158-R175 PolarHBondContact OG-NH2 2.82Å
176	R	86.9	Confident	85.4	Confident	58 Å²	58	25.3 Å²	25.3	22%	0.219	17%	0.173	C	C	.	.			trans	-89	-33.6	174.1	-63.8	-168.1	67.5	-166.1	0.2	114.3	K43 D58 Y172	K43-R176 VanDerWaalsContact CD-NH1 3.3Å; D58-R176 VanDerWaalsContact CG-NH2 3.33Å; D58-R176 IonicContact OD2-CZ 3.4Å; D58-R176 VanDerWaalsContact OD2-CZ 3.32Å; D58-R176 IonicContact OD2-NE 3.63Å; D58-R176 PolarHBondContact OD2-NE 2.91Å; D58-R176 IonicContact OD2-NH2 3.04Å; D58-R176 PolarHBondContact OD2-NH2 2.92Å; Y172-R176 HydrophobicContact CG-CG 4.45Å; Y172-R176 PolarHBondContact OH-NH1 2.79Å; Y172-R176 VanDerWaalsContact OH-NH1 3.17Å
177	G	78.4	Confident	85.8	Confident	25 Å²	25	26.9 Å²	26.9	26%	0.258	17%	0.166	S	C	.	.			trans	77.6	165.8	-170.2	0	0	0	0	0	112.9	S158 G179	S158-G177 WeakPolarHBondContact OG-CA 3.02Å; G177-G179 PolarHBondContact O-N 2.76Å
178	G	78.5	Confident	86.3	Confident	66 Å²	66	29.6 Å²	29.6	68%	0.68	18%	0.177	S	C	*	.	S	Bend	trans	74.4	20.8	172	0	0	0	0	0	116.4
179	G	84.1	Confident	86.5	Confident	14 Å²	14	28.7 Å²	28.7	14%	0.144	17%	0.167	C	C	.	.	S	Bend	trans	134.3	-163.7	175.4	0	0	0	0	0	114.8	E157 S158 G177	E157-G179 CarbonylContact O-C 3.54Å; E157-G179 VanDerWaalsContact O-C 3.3Å; E157-G179 WeakPolarHBondContact O-CA 3.35Å; S158-G179 WeakPolarHBondContact CA-O 3.36Å; G177-G179 PolarHBondContact O-N 2.76Å
180	P	87.4	Confident	86.1	Confident	32 Å²	32	29.3 Å²	29.3	21%	0.208	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141	173.3	20.8	-28.2	0	0	0	112.5	Y42 Y159 V161	Y42-P180 HydrophobicContact CD1-CB 4.06Å; Y42-P180 HydrophobicContact CD1-CG 3.08Å; Y42-P180 HydrophobicContact CD2-CB 4.48Å; Y42-P180 HydrophobicContact CD2-CG 4.25Å; Y42-P180 HydrophobicContact CE1-CB 4.26Å; Y42-P180 HydrophobicContact CE1-CG 3.17Å; Y42-P180 HydrophobicContact CE2-CG 4.31Å; Y42-P180 HydrophobicContact CG-CB 4.16Å; Y42-P180 HydrophobicContact CG-CG 3.66Å; Y159-P180 HydrophobicContact CD1-CB 4.42Å; Y159-P180 HydrophobicContact CD2-CB 4.19Å; Y159-P180 HydrophobicContact CE1-CB 3.84Å; Y159-P180 HydrophobicContact CE1-CG 4.13Å; Y159-P180 HydrophobicContact CE2-CB 3.64Å; Y159-P180 HydrophobicContact CE2-CG 4.46Å; Y159-P180 VanDerWaalsContact CZ-CB 3.43Å; Y159-P180 CarbonylContact O-C 3.5Å; Y159-P180 WeakPolarHBondContact O-CA 3.28Å; V161-P180 HydrophobicContact CG2-CB 3.63Å
181	Q	89.4	Confident	86.2	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.1	164.5	63.9	-174.4	77.2	0	0	109.4	Y159 I160 V161 Y172 G174	Y159-Q181 PolarHBondContact O-N 2.77Å; I160-Q181 CarbonylContact C-O 3.02Å; I160-Q181 VanDerWaalsContact CA-O 3.29Å; I160-Q181 WeakPolarHBondContact CA-O 3.36Å; I160-Q181 HydrophobicContact CB-CG 4.5Å; I160-Q181 HydrophobicContact CG2-CG 3.86Å; V161-Q181 PolarHBondContact N-O 3.3Å; Y172-Q181 HydrophobicContact CD2-CB 4.29Å; G174-Q181 PolarHBondContact O-NE2 3.45Å
182	A	88.1	Confident	86.3	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	142.2	-179.2	0	0	0	0	0	111.5	P45 V161 T163	P45-A182 HydrophobicContact CG-CB 3.93Å; V161-A182 WeakPolarHBondContact O-CA 3.32Å; T163-A182 HydrophobicContact CG2-CB 4.26Å
183	I	91.5	Very high	86.3	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.5	162.3	172.3	174.6	0	0	0	106.1	V161 F162 T163 I185 E198 L199 V202	V161-I183 WeakPolarHBondContact O-CG2 3.27Å; V161-I183 PolarHBondContact O-N 3.13Å; F162-I183 HydrophobicContact CB-CG2 4.3Å; F162-I183 HydrophobicContact CD1-CD1 4.32Å; F162-I183 HydrophobicContact CD1-CG2 3.73Å; F162-I183 HydrophobicContact CD2-CG2 4.18Å; F162-I183 HydrophobicContact CE1-CD1 3.87Å; F162-I183 HydrophobicContact CE1-CG2 4.07Å; F162-I183 HydrophobicContact CE2-CG2 4.49Å; F162-I183 HydrophobicContact CG-CG2 3.8Å; F162-I183 HydrophobicContact CZ-CD1 4.48Å; F162-I183 HydrophobicContact CZ-CG2 4.45Å; T163-I183 PolarHBondContact N-O 2.99Å; T163-I183 PolarHBondContact OG1-O 3.34Å; I183-I185 HydrophobicContact CD1-CD1 4.31Å; I183-I185 HydrophobicContact CG1-CD1 4.17Å; I183-E198 HydrophobicContact CD1-CB 3.53Å; I183-E198 HydrophobicContact CG1-CB 4.09Å; I183-L199 HydrophobicContact CD1-CD2 4.39Å; I183-V202 HydrophobicContact CD1-CG2 4.3Å
184	S	90.3	Very high	86.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.4	-179.4	-177.5	0	0	0	0	109.9	T163 R165 G168 C169 C170	T163-S184 WeakPolarHBondContact O-CA 3.4Å; R165-S184 WeakPolarHBondContact CB-OG 3.41Å; G168-S184 WeakPolarHBondContact O-CB 3.41Å; G168-S184 PolarHBondContact O-OG 2.95Å; C169-S184 VanDerWaalsContact CA-O 3.3Å; C169-S184 WeakPolarHBondContact CA-O 3.46Å; C170-S184 PolarHBondContact N-O 2.87Å; C170-S184 VanDerWaalsContact N-O 3.09Å; C170-S184 PolarHBondContact O-N 2.94Å; C170-S184 VanDerWaalsContact SG-CB 3.53Å
185	I	89.2	Confident	86.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.213	C	C	.	.			trans	-114.4	87.2	168.4	-53.7	-60.7	0	0	0	106.8	F127 F135 F162 T163 Y164 I183 C189 D190 V195 E198	F127-I185 HydrophobicContact CE1-CB 4.22Å; F127-I185 HydrophobicContact CZ-CB 4.2Å; F135-I185 HydrophobicContact CE1-CB 4.33Å; F135-I185 HydrophobicContact CE1-CG1 4.05Å; F135-I185 HydrophobicContact CE1-CG2 3.87Å; F135-I185 HydrophobicContact CZ-CB 4.02Å; F135-I185 HydrophobicContact CZ-CG1 3.96Å; F135-I185 HydrophobicContact CZ-CG2 3.87Å; F162-I185 HydrophobicContact CD1-CG1 3.97Å; T163-I185 PolarHBondContact O-N 3.29Å; Y164-I185 WeakPolarHBondContact CD2-O 3.47Å; I183-I185 HydrophobicContact CD1-CD1 4.31Å; I183-I185 HydrophobicContact CG1-CD1 4.17Å; I185-C189 HydrophobicContact CB-CB 4.45Å; I185-C189 HydrophobicContact CG2-CB 3.63Å; I185-D190 HydrophobicContact CG2-CB 4.26Å; I185-V195 HydrophobicContact CD1-CG2 4.26Å; I185-E198 HydrophobicContact CD1-CB 4.47Å; I185-E198 HydrophobicContact CD1-CG 4.12Å
186	G	81.9	Confident	86.7	Confident	4 Å²	4	36.4 Å²	36.4	4%	0.041	20%	0.202	C	C	.	.			trans	-72.5	-172.2	179	0	0	0	0	0	113.9	G168 N188 C189	G168-G186 PolarHBondContact O-N 2.79Å; G186-N188 PolarHBondContact O-N 3.38Å; G186-C189 VanDerWaalsContact O-CB 3.25Å; G186-C189 WeakPolarHBondContact O-CB 3.49Å; G186-C189 PolarHBondContact O-N 2.04Å; G186-C189 VanDerWaalsContact O-N 3.14Å
187	K	79.9	Confident	87	Confident	159 Å²	159	33.7 Å²	33.7	69%	0.691	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	130.2	179	-166.3	175.5	-178.9	-179.8	0	110.4	Y164 C189	Y164-K187 HydrophobicContact CE2-CB 4.41Å; K187-C189 VanDerWaalsContact C-N 3.27Å; K187-C189 PolarHBondContact O-N 3.3Å
188	N	80.4	Confident	87.8	Confident	116 Å²	116	32.6 Å²	32.6	62%	0.62	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	8.8	-177.5	-50.4	-42.2	0	0	0	116.4	G186	G186-N188 PolarHBondContact O-N 3.38Å
189	C	83.5	Confident	88.6	Confident	4 Å²	4	29.5 Å²	29.5	3%	0.027	15%	0.148	C	C	.	.			trans	-91.2	-7.3	178.5	-61.3	0	0	0	0	113.9	C169 I185 G186 K187 K191 I194	C169-C189 VanDerWaalsContact CA-SG 3.51Å; C169-C189 HydrophobicContact CB-CB 3.74Å; C169-C189 WeakPolarHBondContact CB-SG 3.49Å; C169-C189 PolarHBondContact N-SG 3.49Å; C169-C189 WeakPolarHBondContact SG-CB 3.45Å; C169-C189 CovalentContact SG-SG 2.01Å; C169-C189 PolarHBondContact SG-SG 3.38Å; I185-C189 HydrophobicContact CB-CB 4.45Å; I185-C189 HydrophobicContact CG2-CB 3.63Å; G186-C189 VanDerWaalsContact O-CB 3.25Å; G186-C189 WeakPolarHBondContact O-CB 3.49Å; G186-C189 PolarHBondContact O-N 2.04Å; G186-C189 VanDerWaalsContact O-N 3.14Å; K187-C189 VanDerWaalsContact C-N 3.27Å; K187-C189 PolarHBondContact O-N 3.3Å; C189-K191 PolarHBondContact O-N 3.41Å; C189-I194 HydrophobicContact CB-CG2 4.24Å; C189-I194 WeakPolarHBondContact O-CG2 3.32Å
190	D	79.6	Confident	89.1	Confident	47 Å²	47	28.8 Å²	28.8	25%	0.251	14%	0.141	S	C	.	.			trans	-79.3	24.4	-174.6	56.5	-19.9	0	0	0	113.7	Q131 I134 I185	Q131-D190 HydrophobicContact CG-CB 3.98Å; Q131-D190 WeakPolarHBondContact CG-OD2 3.03Å; Q131-D190 PolarHBondContact NE2-OD2 2.89Å; I134-D190 WeakPolarHBondContact CD1-O 3.35Å; I185-D190 HydrophobicContact CG2-CB 4.26Å
191	K	88.8	Confident	89.4	Confident	136 Å²	136	27.3 Å²	27.3	59%	0.591	13%	0.131	S	C	*	.	S	Bend	trans	-88.4	139	173.1	-61.3	-179	-177.6	177.8	0	109.8	C189 G193 I194 V195	C189-K191 PolarHBondContact O-N 3.41Å; K191-G193 PolarHBondContact O-N 3.47Å; K191-G193 VanDerWaalsContact O-N 3.16Å; K191-I194 HydrophobicContact CB-CD1 4.07Å; K191-I194 HydrophobicContact CB-CG1 4.24Å; K191-I194 HydrophobicContact CD-CD1 4.27Å; K191-I194 HydrophobicContact CG-CD1 4.41Å; K191-I194 PolarHBondContact O-N 3.07Å; K191-V195 PolarHBondContact O-N 2.77Å; K191-V195 VanDerWaalsContact O-N 3.1Å
192	F	91.5	Very high	89.7	Confident	55 Å²	55	27.1 Å²	27.1	24%	0.241	13%	0.13	C	C	.	.	H	α-helix	trans	-41.9	-55.9	-178.6	173.5	-100.7	0	0	0	113.8	I134 Q137 A138 H141 I194 V195 V196 T287	I134-F192 HydrophobicContact CG2-CB 4.37Å; Q137-F192 HydrophobicContact CB-CD2 4.3Å; Q137-F192 HydrophobicContact CB-CE2 4.32Å; Q137-F192 HydrophobicContact CG-CD2 4.13Å; Q137-F192 HydrophobicContact CG-CE2 3.91Å; A138-F192 HydrophobicContact CB-CD2 4.43Å; A138-F192 HydrophobicContact CB-CE2 4.44Å; H141-F192 HydrophobicContact CB-CE2 4.08Å; H141-F192 HydrophobicContact CB-CZ 3.79Å; H141-F192 AromaticContact CD2-CZ 3.99Å; H141-F192 AromaticContact CG-CZ 3.67Å; F192-I194 VanDerWaalsContact C-N 3.32Å; F192-I194 PolarHBondContact O-N 2.77Å; F192-V195 PolarHBondContact O-N 2.82Å; F192-V196 HydrophobicContact CD1-CG2 4.35Å; F192-V196 HydrophobicContact CD2-CG2 4.32Å; F192-V196 HydrophobicContact CE1-CG2 3.99Å; F192-V196 HydrophobicContact CE2-CG2 3.95Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CG2 3.41Å; F192-V196 PolarHBondContact O-N 2.89Å; F192-T287 WeakPolarHBondContact CE1-O 3.36Å
193	G	90.3	Very high	90	Very high	3 Å²	3	27 Å²	27	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-69.5	-23.5	-176.7	0	0	0	0	0	115.5	K191 H197 I253 R286	K191-G193 PolarHBondContact O-N 3.47Å; K191-G193 VanDerWaalsContact O-N 3.16Å; G193-H197 PolarHBondContact O-N 3.31Å; G193-I253 WeakPolarHBondContact O-CD1 3.28Å; G193-R286 WeakPolarHBondContact CA-O 3.22Å
194	I	90.4	Very high	90.1	Very high	36 Å²	36	27 Å²	27	19%	0.185	13%	0.129	C	C	.	.	H	α-helix	trans	-72.2	-46.1	172.5	-61	176.1	0	0	0	108.6	C169 C189 K191 F192 V196 H197 E198	C169-I194 HydrophobicContact CB-CG2 4.1Å; C189-I194 HydrophobicContact CB-CG2 4.24Å; C189-I194 WeakPolarHBondContact O-CG2 3.32Å; K191-I194 HydrophobicContact CB-CD1 4.07Å; K191-I194 HydrophobicContact CB-CG1 4.24Å; K191-I194 HydrophobicContact CD-CD1 4.27Å; K191-I194 HydrophobicContact CG-CD1 4.41Å; K191-I194 PolarHBondContact O-N 3.07Å; F192-I194 VanDerWaalsContact C-N 3.32Å; F192-I194 PolarHBondContact O-N 2.77Å; I194-V196 VanDerWaalsContact C-N 3.31Å; I194-V196 PolarHBondContact O-N 3.4Å; I194-H197 WeakPolarHBondContact O-CA 3.36Å; I194-H197 VanDerWaalsContact O-CB 3.27Å; I194-H197 WeakPolarHBondContact O-CB 2.96Å; I194-H197 PolarHBondContact O-N 3.37Å; I194-E198 HydrophobicContact CG2-CG 4.47Å; I194-E198 WeakPolarHBondContact O-CG 3.19Å; I194-E198 PolarHBondContact O-N 3.3Å
195	V	94.1	Very high	90.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-38	178.2	-173.8	0	0	0	0	111.6	I134 F135 A138 F162 I185 K191 F192 H197 E198 L199	I134-V195 HydrophobicContact CG2-CG2 4.19Å; F135-V195 HydrophobicContact CD1-CG1 3.92Å; F135-V195 HydrophobicContact CD1-CG2 3.82Å; F135-V195 HydrophobicContact CE1-CG2 3.93Å; A138-V195 HydrophobicContact CB-CB 3.9Å; A138-V195 HydrophobicContact CB-CG1 3.65Å; F162-V195 HydrophobicContact CE1-CG1 4.08Å; I185-V195 HydrophobicContact CD1-CG2 4.26Å; K191-V195 PolarHBondContact O-N 2.77Å; K191-V195 VanDerWaalsContact O-N 3.1Å; F192-V195 PolarHBondContact O-N 2.82Å; V195-H197 VanDerWaalsContact C-N 3.3Å; V195-H197 PolarHBondContact O-N 2.51Å; V195-E198 PolarHBondContact O-N 2.65Å; V195-L199 HydrophobicContact CG1-CD1 4.24Å; V195-L199 HydrophobicContact CG1-CG 4.48Å; V195-L199 WeakPolarHBondContact O-CB 3.49Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 2.88Å
196	V	96.1	Very high	90.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-38.7	173.5	177.5	0	0	0	0	111.2	A138 W142 F192 I194 G200 I253 L289	A138-V196 HydrophobicContact CB-CG2 3.66Å; W142-V196 PolarHBondContact NE1-O 2.93Å; F192-V196 HydrophobicContact CD1-CG2 4.35Å; F192-V196 HydrophobicContact CD2-CG2 4.32Å; F192-V196 HydrophobicContact CE1-CG2 3.99Å; F192-V196 HydrophobicContact CE2-CG2 3.95Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CG2 3.41Å; F192-V196 PolarHBondContact O-N 2.89Å; I194-V196 VanDerWaalsContact C-N 3.31Å; I194-V196 PolarHBondContact O-N 3.4Å; V196-G200 PolarHBondContact O-N 2.84Å; V196-I253 HydrophobicContact CB-CD1 3.61Å; V196-I253 HydrophobicContact CG1-CD1 3.38Å; V196-L289 HydrophobicContact CG1-CD2 3.76Å; V196-L289 HydrophobicContact CG1-CG 4.05Å
197	H	94.3	Very high	90.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-50.9	175.4	179	97.9	0	0	0	111.9	D54 G193 I194 V195 L199 G200 H201 H207 I253 M254	D54-H197 IonicContact OD1-NE2 2.8Å; D54-H197 IonicContact OD2-CD2 3.21Å; D54-H197 IonicContact OD2-NE2 3.69Å; D54-H197 PolarHBondContact OD2-NE2 2.88Å; D54-H197 VanDerWaalsContact OD2-NE2 3.08Å; G193-H197 PolarHBondContact O-N 3.31Å; I194-H197 WeakPolarHBondContact O-CA 3.36Å; I194-H197 VanDerWaalsContact O-CB 3.27Å; I194-H197 WeakPolarHBondContact O-CB 2.96Å; I194-H197 PolarHBondContact O-N 3.37Å; V195-H197 VanDerWaalsContact C-N 3.3Å; V195-H197 PolarHBondContact O-N 2.51Å; H197-L199 VanDerWaalsContact C-N 3.26Å; H197-L199 PolarHBondContact O-N 2.9Å; H197-G200 VanDerWaalsContact O-CA 3.28Å; H197-G200 WeakPolarHBondContact O-CA 3.35Å; H197-G200 PolarHBondContact O-N 3.38Å; H197-H201 AromaticContact CD2-NE2 3.78Å; H197-H201 AromaticContact NE2-CD2 4Å; H197-H201 AromaticContact NE2-NE2 3.25Å; H197-H201 PolarHBondContact NE2-NE2 2.79Å; H197-H201 PolarHBondContact O-N 2.78Å; H197-H207 AromaticContact CE1-CD2 3.7Å; H197-H207 AromaticContact CE1-NE2 3.85Å; H197-H207 AromaticContact NE2-CD2 3.77Å; H197-H207 AromaticContact NE2-NE2 3.47Å; H197-H207 PolarHBondContact NE2-NE2 3.44Å; H197-I253 HydrophobicContact CB-CG1 4.42Å; H197-I253 PolarHBondContact ND1-O 3.42Å; H197-M254 WeakPolarHBondContact O-CE 3.01Å
198	E	94.2	Very high	91.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-35.8	178.7	-61.9	-53.9	148.7	0	0	112.5	C169 C170 S171 I183 I185 I194 V195 G200 H201 V202	C169-E198 HydrophobicContact CB-CG 4.28Å; C169-E198 VanDerWaalsContact CB-OE1 3.32Å; C169-E198 WeakPolarHBondContact CB-OE1 3.3Å; C170-E198 VanDerWaalsContact C-OE2 3.25Å; C170-E198 WeakPolarHBondContact CA-OE2 3.42Å; S171-E198 WeakPolarHBondContact CB-OE2 3.29Å; S171-E198 PolarHBondContact N-OE2 3.03Å; S171-E198 PolarHBondContact OG-O 3Å; I183-E198 HydrophobicContact CD1-CB 3.53Å; I183-E198 HydrophobicContact CG1-CB 4.09Å; I185-E198 HydrophobicContact CD1-CB 4.47Å; I185-E198 HydrophobicContact CD1-CG 4.12Å; I194-E198 HydrophobicContact CG2-CG 4.47Å; I194-E198 WeakPolarHBondContact O-CG 3.19Å; I194-E198 PolarHBondContact O-N 3.3Å; V195-E198 PolarHBondContact O-N 2.65Å; E198-G200 VanDerWaalsContact C-N 3.27Å; E198-G200 PolarHBondContact O-N 2.88Å; E198-H201 WeakPolarHBondContact O-CB 3.26Å; E198-H201 PolarHBondContact O-N 3.12Å; E198-H201 IonicContact OE2-CD2 3.17Å; E198-V202 PolarHBondContact O-N 2.97Å
199	L	96	Very high	91.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.1	-28.1	171.3	-74.1	174	0	0	0	112.4	A138 M139 F150 I160 F162 I183 V195 H197 H201 V202 I203	A138-L199 HydrophobicContact CB-CD1 3.82Å; M139-L199 HydrophobicContact CB-CD1 4.48Å; M139-L199 HydrophobicContact CG-CD1 3.7Å; M139-L199 HydrophobicContact CG-CD2 4.32Å; F150-L199 HydrophobicContact CE1-CD2 3.81Å; F150-L199 HydrophobicContact CZ-CD2 4.08Å; I160-L199 HydrophobicContact CD1-CD2 4.08Å; F162-L199 HydrophobicContact CZ-CD2 4.05Å; I183-L199 HydrophobicContact CD1-CD2 4.39Å; V195-L199 HydrophobicContact CG1-CD1 4.24Å; V195-L199 HydrophobicContact CG1-CG 4.48Å; V195-L199 WeakPolarHBondContact O-CB 3.49Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 2.88Å; H197-L199 VanDerWaalsContact C-N 3.26Å; H197-L199 PolarHBondContact O-N 2.9Å; L199-H201 VanDerWaalsContact C-N 3.34Å; L199-V202 HydrophobicContact CD2-CG2 4.48Å; L199-V202 WeakPolarHBondContact O-CB 3.17Å; L199-V202 PolarHBondContact O-N 3.19Å; L199-I203 WeakPolarHBondContact O-CB 3.46Å; L199-I203 VanDerWaalsContact O-CG1 3.25Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 2.86Å
200	G	95.4	Very high	91.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-43	170.6	0	0	0	0	0	112.1	W142 V196 H197 E198 I203 G204 F205	W142-G200 VanDerWaalsContact CZ2-CA 3.5Å; V196-G200 PolarHBondContact O-N 2.84Å; H197-G200 VanDerWaalsContact O-CA 3.28Å; H197-G200 WeakPolarHBondContact O-CA 3.35Å; H197-G200 PolarHBondContact O-N 3.38Å; E198-G200 VanDerWaalsContact C-N 3.27Å; E198-G200 PolarHBondContact O-N 2.88Å; G200-I203 PolarHBondContact O-N 3.21Å; G200-G204 PolarHBondContact O-N 2.85Å; G200-G204 VanDerWaalsContact O-N 3.14Å; G200-F205 WeakPolarHBondContact O-CB 3.49Å; G200-F205 PolarHBondContact O-N 2.81Å
201	H	93.6	Very high	92.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.1	-47.8	170.6	-67.6	-46.3	0	0	0	111.5	D54 I55 Y172 V173 G174 H197 E198 L199 I203 G204 F205 H207 M254	D54-H201 IonicContact OD1-NE2 3.46Å; D54-H201 PolarHBondContact OD1-NE2 2.63Å; I55-H201 VanDerWaalsContact CD1-CE1 3.49Å; I55-H201 WeakPolarHBondContact CD1-CE1 3.5Å; I55-H201 VanDerWaalsContact CG1-CE1 3.43Å; I55-H201 WeakPolarHBondContact CG1-CE1 3.38Å; Y172-H201 CarbonylContact O-C 3.53Å; Y172-H201 VanDerWaalsContact O-C 3.28Å; V173-H201 CarbonylContact C-O 3.59Å; V173-H201 VanDerWaalsContact CA-O 3.29Å; V173-H201 WeakPolarHBondContact CA-O 3.4Å; V173-H201 HydrophobicContact CG2-CB 4.48Å; G174-H201 PolarHBondContact N-O 2.8Å; H197-H201 AromaticContact CD2-NE2 3.78Å; H197-H201 AromaticContact NE2-CD2 4Å; H197-H201 AromaticContact NE2-NE2 3.25Å; H197-H201 PolarHBondContact NE2-NE2 2.79Å; H197-H201 PolarHBondContact O-N 2.78Å; E198-H201 WeakPolarHBondContact O-CB 3.26Å; E198-H201 PolarHBondContact O-N 3.12Å; E198-H201 IonicContact OE2-CD2 3.17Å; L199-H201 VanDerWaalsContact C-N 3.34Å; H201-I203 PolarHBondContact O-N 2.94Å; H201-G204 WeakPolarHBondContact O-CA 3.28Å; H201-G204 PolarHBondContact O-N 2.81Å; H201-F205 PolarHBondContact ND1-O 2.87Å; H201-H207 AromaticContact CE1-CD2 3.47Å; H201-H207 PolarHBondContact CE1-CD2 3.08Å; H201-H207 VanDerWaalsContact CE1-CD2 3.47Å; H201-H207 AromaticContact CE1-NE2 3.3Å; H201-H207 PolarHBondContact CE1-NE2 2.77Å; H201-H207 VanDerWaalsContact CE1-NE2 3.3Å; H201-H207 AromaticContact NE2-CD2 3.72Å; H201-H207 AromaticContact NE2-NE2 3.18Å; H201-H207 PolarHBondContact NE2-NE2 2.68Å; H201-H207 VanDerWaalsContact NE2-NE2 3.18Å; H201-M254 WeakPolarHBondContact CE1-CE 3.06Å; H201-M254 VanDerWaalsContact ND1-CE 3.31Å; H201-M254 WeakPolarHBondContact ND1-CE 3.21Å; H201-M254 WeakPolarHBondContact NE2-CE 3.37Å
202	V	94.8	Very high	92.1	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.006	4%	0.039	C	C	.	.	H	α-helix	trans	-55	-40.2	176.8	172.7	0	0	0	0	112.3	W114 I119 I160 S171 G174 I183 E198 L199 G204	W114-V202 HydrophobicContact CZ2-CG1 4.32Å; W114-V202 PolarHBondContact NE1-O 2.82Å; I119-V202 HydrophobicContact CD1-CG1 4.21Å; I119-V202 HydrophobicContact CG2-CG1 3.99Å; I160-V202 HydrophobicContact CD1-CG1 4.23Å; I160-V202 HydrophobicContact CG2-CG1 3.55Å; I160-V202 HydrophobicContact CG2-CG2 4.19Å; S171-V202 VanDerWaalsContact OG-CG2 3.28Å; S171-V202 WeakPolarHBondContact OG-CG2 3.44Å; G174-V202 CarbonylContact C-O 3.44Å; G174-V202 VanDerWaalsContact CA-O 3.24Å; G174-V202 WeakPolarHBondContact CA-O 3.31Å; I183-V202 HydrophobicContact CD1-CG2 4.3Å; E198-V202 PolarHBondContact O-N 2.97Å; L199-V202 HydrophobicContact CD2-CG2 4.48Å; L199-V202 WeakPolarHBondContact O-CB 3.17Å; L199-V202 PolarHBondContact O-N 3.19Å; V202-G204 PolarHBondContact O-N 2.79Å
203	I	95.4	Very high	91.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-68.9	-23.7	178.8	-74.1	170.5	0	0	0	111.6	I119 W142 V148 F150 L199 G200 H201 F205 Y301	I119-I203 HydrophobicContact CD1-CG1 3.97Å; W142-I203 HydrophobicContact CB-CD1 4.25Å; W142-I203 HydrophobicContact CD2-CD1 3.2Å; W142-I203 HydrophobicContact CE3-CD1 3.32Å; W142-I203 HydrophobicContact CG-CD1 3.66Å; W142-I203 HydrophobicContact CH2-CD1 4.01Å; W142-I203 HydrophobicContact CZ2-CD1 3.92Å; W142-I203 HydrophobicContact CZ3-CD1 3.74Å; V148-I203 HydrophobicContact CG1-CD1 4.46Å; V148-I203 HydrophobicContact CG1-CG1 4.35Å; F150-I203 HydrophobicContact CZ-CD1 4.34Å; F150-I203 HydrophobicContact CZ-CG1 4.48Å; L199-I203 WeakPolarHBondContact O-CB 3.46Å; L199-I203 VanDerWaalsContact O-CG1 3.25Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 2.86Å; G200-I203 PolarHBondContact O-N 3.21Å; H201-I203 PolarHBondContact O-N 2.94Å; I203-F205 HydrophobicContact CG2-CD1 4.47Å; I203-F205 HydrophobicContact CG2-CE1 4.32Å; I203-Y301 HydrophobicContact CG2-CE2 3.65Å; I203-Y301 PolarHBondContact O-OH 2.89Å
204	G	92.3	Very high	91.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.9	22.1	174.6	0	0	0	0	0	114	A106 T107 G200 H201 V202	A106-G204 CarbonylContact C-O 3.52Å; T107-G204 WeakPolarHBondContact CB-O 3.42Å; T107-G204 PolarHBondContact N-O 2.87Å; G200-G204 PolarHBondContact O-N 2.85Å; G200-G204 VanDerWaalsContact O-N 3.14Å; H201-G204 WeakPolarHBondContact O-CA 3.28Å; H201-G204 PolarHBondContact O-N 2.81Å; V202-G204 PolarHBondContact O-N 2.79Å
205	F	92.5	Very high	91.9	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-91.4	140.1	179.1	-70.3	5.1	0	0	0	111.7	A106 W142 G200 H201 I203 M254 D293 Q296 A297 L300	A106-F205 HydrophobicContact CB-CD1 3.84Å; A106-F205 HydrophobicContact CB-CE1 3.99Å; W142-F205 HydrophobicContact CH2-CD2 4.15Å; W142-F205 AromaticContact CH2-CE2 3.83Å; W142-F205 HydrophobicContact CH2-CE2 3.83Å; W142-F205 HydrophobicContact CH2-CZ 4.47Å; W142-F205 HydrophobicContact CZ3-CE2 4.39Å; G200-F205 WeakPolarHBondContact O-CB 3.49Å; G200-F205 PolarHBondContact O-N 2.81Å; H201-F205 PolarHBondContact ND1-O 2.87Å; I203-F205 HydrophobicContact CG2-CD1 4.47Å; I203-F205 HydrophobicContact CG2-CE1 4.32Å; F205-M254 HydrophobicContact CB-CE 4.32Å; F205-M254 HydrophobicContact CB-CG 3.95Å; F205-M254 HydrophobicContact CD2-CG 3.86Å; F205-M254 HydrophobicContact CG-CG 4.44Å; F205-D293 HydrophobicContact CE2-CB 4.27Å; F205-D293 WeakPolarHBondContact CZ-O 3.47Å; F205-Q296 HydrophobicContact CE1-CB 4.44Å; F205-Q296 HydrophobicContact CE1-CG 4.05Å; F205-Q296 HydrophobicContact CZ-CB 3.88Å; F205-Q296 HydrophobicContact CZ-CG 3.98Å; F205-A297 HydrophobicContact CE1-CB 4.36Å; F205-A297 HydrophobicContact CZ-CB 3.77Å; F205-L300 HydrophobicContact CE1-CD2 4.2Å
206	W	89.9	Confident	91.7	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.015	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-93.1	169.2	165	-65.4	94.7	0	0	0	109.4	I55 L57 F65 V173 M236 E240 V241	I55-W206 HydrophobicContact CD1-CE3 3.57Å; I55-W206 HydrophobicContact CD1-CZ3 3.91Å; I55-W206 HydrophobicContact CG2-CZ3 3.96Å; L57-W206 HydrophobicContact CD2-CH2 4.25Å; L57-W206 HydrophobicContact CD2-CZ3 4.33Å; F65-W206 HydrophobicContact CZ-CH2 4.26Å; V173-W206 HydrophobicContact CB-CH2 4.33Å; V173-W206 HydrophobicContact CB-CZ2 4.11Å; V173-W206 HydrophobicContact CG1-CD2 4.19Å; V173-W206 HydrophobicContact CG1-CG 4.45Å; V173-W206 HydrophobicContact CG1-CZ2 4.12Å; V173-W206 HydrophobicContact CG2-CD2 4Å; V173-W206 HydrophobicContact CG2-CE3 3.9Å; V173-W206 HydrophobicContact CG2-CH2 4.05Å; V173-W206 HydrophobicContact CG2-CZ2 4.19Å; V173-W206 HydrophobicContact CG2-CZ3 3.92Å; W206-M236 HydrophobicContact CD2-CE 3.63Å; W206-M236 HydrophobicContact CD2-CG 4.43Å; W206-M236 HydrophobicContact CD2-SD 4.25Å; W206-M236 HydrophobicContact CE3-CE 3.6Å; W206-M236 HydrophobicContact CE3-CG 4.39Å; W206-M236 HydrophobicContact CE3-SD 3.79Å; W206-M236 HydrophobicContact CG-CE 4.45Å; W206-M236 HydrophobicContact CH2-CE 3.53Å; W206-M236 HydrophobicContact CH2-SD 4.46Å; W206-M236 HydrophobicContact CZ2-CE 3.5Å; W206-M236 HydrophobicContact CZ3-CE 3.56Å; W206-M236 HydrophobicContact CZ3-SD 3.92Å; W206-E240 PolarHBondContact NE1-O 3.47Å; W206-V241 HydrophobicContact CD2-CG2 4.43Å; W206-V241 HydrophobicContact CG-CG2 3.92Å
207	H	91.3	Very high	91.5	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.014	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-67.7	138.4	174.7	-58.3	135.9	0	0	0	112.1	D54 H197 H201 H209 T210 M254 Y256	D54-H207 IonicContact OD1-CE1 2.76Å; D54-H207 PolarHBondContact OD1-CE1 3.31Å; D54-H207 IonicContact OD1-NE2 3.3Å; D54-H207 PolarHBondContact OD1-NE2 3.2Å; D54-H207 IonicContact OD2-NE2 2.84Å; H197-H207 AromaticContact CE1-CD2 3.7Å; H197-H207 AromaticContact CE1-NE2 3.85Å; H197-H207 AromaticContact NE2-CD2 3.77Å; H197-H207 AromaticContact NE2-NE2 3.47Å; H197-H207 PolarHBondContact NE2-NE2 3.44Å; H201-H207 AromaticContact CE1-CD2 3.47Å; H201-H207 PolarHBondContact CE1-CD2 3.08Å; H201-H207 VanDerWaalsContact CE1-CD2 3.47Å; H201-H207 AromaticContact CE1-NE2 3.3Å; H201-H207 PolarHBondContact CE1-NE2 2.77Å; H201-H207 VanDerWaalsContact CE1-NE2 3.3Å; H201-H207 AromaticContact NE2-CD2 3.72Å; H201-H207 AromaticContact NE2-NE2 3.18Å; H201-H207 PolarHBondContact NE2-NE2 2.68Å; H201-H207 VanDerWaalsContact NE2-NE2 3.18Å; H207-H209 WeakPolarHBondContact CB-CE1 3.3Å; H207-H209 WeakPolarHBondContact CB-ND1 3.03Å; H207-H209 AromaticContact CG-CE1 3.75Å; H207-H209 AromaticContact ND1-CE1 3.68Å; H207-H209 PolarHBondContact O-N 2.76Å; H207-H209 VanDerWaalsContact O-N 3.16Å; H207-T210 HydrophobicContact CB-CG2 3.97Å; H207-T210 WeakPolarHBondContact O-CB 3.46Å; H207-T210 PolarHBondContact O-N 2.76Å; H207-T210 PolarHBondContact O-OG1 3.25Å; H207-M254 WeakPolarHBondContact CA-O 3.24Å; H207-M254 WeakPolarHBondContact CB-O 2.94Å; H207-M254 PolarHBondContact CD2-O 3.49Å; H207-Y256 AromaticContact CD2-CE1 3.9Å; H207-Y256 AromaticContact CE1-CE1 3.32Å; H207-Y256 WeakPolarHBondContact CE1-CE1 3.47Å; H207-Y256 AromaticContact CE1-CZ 3.52Å; H207-Y256 PolarHBondContact CE1-OH 2.94Å; H207-Y256 AromaticContact CG-CE1 3.83Å; H207-Y256 AromaticContact ND1-CE1 3.48Å; H207-Y256 WeakPolarHBondContact ND1-CE1 3.11Å; H207-Y256 AromaticContact ND1-CZ 3.56Å; H207-Y256 PolarHBondContact ND1-OH 3.46Å; H207-Y256 AromaticContact NE2-CE1 3.57Å
208	E	91.6	Very high	91.4	Very high	7 Å²	7	13.1 Å²	13.1	3%	0.033	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-63.2	-26.4	-175.8	-172.9	66.1	-167.9	0	0	112.7	A105 T210 R211 Y248 D249 M254 H255	A105-E208 WeakPolarHBondContact CB-OE2 3.25Å; E208-T210 VanDerWaalsContact C-N 3.28Å; E208-T210 PolarHBondContact O-N 3.09Å; E208-R211 WeakPolarHBondContact O-CD 3.5Å; E208-R211 WeakPolarHBondContact O-CG 3.16Å; E208-R211 WeakPolarHBondContact OE1-CD 3.33Å; E208-R211 IonicContact OE1-CZ 3.25Å; E208-R211 IonicContact OE1-NE 3.13Å; E208-R211 IonicContact OE1-NH1 2.62Å; E208-R211 PolarHBondContact OE1-NH1 2.86Å; E208-R211 IonicContact OE2-NH1 2.73Å; E208-Y248 HydrophobicContact CG-CE1 4.32Å; E208-Y248 HydrophobicContact CG-CE2 4.12Å; E208-Y248 VanDerWaalsContact O-CE2 3.22Å; E208-Y248 WeakPolarHBondContact O-CE2 3.09Å; E208-Y248 PolarHBondContact O-OH 3.13Å; E208-Y248 WeakPolarHBondContact OE1-CA 3.38Å; E208-D249 PolarHBondContact OE1-N 3.06Å; E208-M254 PolarHBondContact N-O 3.48Å; E208-M254 VanDerWaalsContact N-O 3.09Å; E208-H255 HydrophobicContact CB-CB 4.07Å
209	H	89.5	Confident	91.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-77.9	-10.4	175.7	72.7	-78.8	0	0	0	113.9	H207 R214 N232 Y248 Y256 I270	H207-H209 WeakPolarHBondContact CB-CE1 3.3Å; H207-H209 WeakPolarHBondContact CB-ND1 3.03Å; H207-H209 AromaticContact CG-CE1 3.75Å; H207-H209 AromaticContact ND1-CE1 3.68Å; H207-H209 PolarHBondContact O-N 2.76Å; H207-H209 VanDerWaalsContact O-N 3.16Å; H209-R214 VanDerWaalsContact O-CG 3.25Å; H209-R214 WeakPolarHBondContact O-CG 3.01Å; H209-N232 PolarHBondContact NE2-O 3.4Å; H209-Y248 WeakPolarHBondContact CA-OH 3.43Å; H209-Y256 AromaticContact CE1-CD1 3.62Å; H209-Y256 AromaticContact CE1-CD2 3.15Å; H209-Y256 WeakPolarHBondContact CE1-CD2 3.14Å; H209-Y256 AromaticContact CE1-CE1 3.85Å; H209-Y256 AromaticContact CE1-CE2 3.35Å; H209-Y256 WeakPolarHBondContact CE1-CE2 3.44Å; H209-Y256 AromaticContact CE1-CG 3.29Å; H209-Y256 AromaticContact CE1-CZ 3.71Å; H209-Y256 AromaticContact ND1-CD1 3.99Å; H209-Y256 AromaticContact ND1-CD2 3.82Å; H209-Y256 AromaticContact ND1-CG 3.58Å; H209-Y256 AromaticContact NE2-CD2 3.45Å; H209-Y256 WeakPolarHBondContact NE2-CD2 3.24Å; H209-Y256 AromaticContact NE2-CE2 3.55Å; H209-I270 HydrophobicContact CB-CD1 4.04Å
210	T	88.1	Confident	91.2	Very high	10 Å²	10	16.1 Å²	16.1	6%	0.061	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-90.9	-3.1	-179.7	69.5	0	0	0	0	113.2	H207 E208 K235 M236	H207-T210 HydrophobicContact CB-CG2 3.97Å; H207-T210 WeakPolarHBondContact O-CB 3.46Å; H207-T210 PolarHBondContact O-N 2.76Å; H207-T210 PolarHBondContact O-OG1 3.25Å; E208-T210 VanDerWaalsContact C-N 3.28Å; E208-T210 PolarHBondContact O-N 3.09Å; T210-K235 WeakPolarHBondContact O-CA 3.31Å; T210-M236 PolarHBondContact O-N 2.81Å; T210-M236 WeakPolarHBondContact OG1-CG 2.95Å
211	R	87.1	Confident	91	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.098	C	C	.	.	S	Bend	trans	-54	143.6	179.6	-65.5	177.7	50.4	151.5	-3.3	112.9	R104 A105 E208 D213 R214 S243 V247	R104-R211 VanDerWaalsContact O-CB 3.28Å; R104-R211 WeakPolarHBondContact O-CB 3.04Å; R104-R211 WeakPolarHBondContact O-CG 3.43Å; A105-R211 HydrophobicContact CB-CG 3.67Å; E208-R211 WeakPolarHBondContact O-CD 3.5Å; E208-R211 WeakPolarHBondContact O-CG 3.16Å; E208-R211 WeakPolarHBondContact OE1-CD 3.33Å; E208-R211 IonicContact OE1-CZ 3.25Å; E208-R211 IonicContact OE1-NE 3.13Å; E208-R211 IonicContact OE1-NH1 2.62Å; E208-R211 PolarHBondContact OE1-NH1 2.86Å; E208-R211 IonicContact OE2-NH1 2.73Å; R211-D213 WeakPolarHBondContact CB-OD1 3.39Å; R211-D213 IonicContact CZ-OD1 3.31Å; R211-D213 IonicContact CZ-OD2 3.32Å; R211-D213 IonicContact NE-OD1 3.65Å; R211-D213 PolarHBondContact NE-OD1 2.78Å; R211-D213 IonicContact NE-OD2 3.18Å; R211-D213 IonicContact NH2-OD1 2.7Å; R211-D213 PolarHBondContact NH2-OD1 2.85Å; R211-D213 IonicContact NH2-OD2 2.71Å; R211-D213 PolarHBondContact NH2-OD2 3.26Å; R211-D213 PolarHBondContact O-N 2.5Å; R211-D213 VanDerWaalsContact O-N 3.12Å; R211-R214 HydrophobicContact CB-CB 4.41Å; R211-R214 WeakPolarHBondContact O-CB 3.3Å; R211-R214 WeakPolarHBondContact O-CD 3.07Å; R211-R214 PolarHBondContact O-N 2.91Å; R211-S243 PolarHBondContact NH1-OG 3.43Å; R211-S243 PolarHBondContact NH2-OG 3.06Å; R211-V247 PolarHBondContact NH1-O 2.84Å
212	P	85.8	Confident	90.9	Very high	30 Å²	30	24.4 Å²	24.4	20%	0.195	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.5	177.2	-26.3	34.7	0	0	0	114.8	R104 K235	R104-P212 HydrophobicContact CB-CG 4.25Å; R104-P212 VanDerWaalsContact O-CD 3.32Å; R104-P212 WeakPolarHBondContact O-CD 3.32Å; P212-K235 WeakPolarHBondContact O-CD 3.15Å
213	D	87.1	Confident	90.7	Very high	16 Å²	16	30.4 Å²	30.4	9%	0.086	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.5	-179.6	64.2	-28.9	0	0	0	114.2	K103 R211 D215 E216 H217	K103-D213 WeakPolarHBondContact CB-OD2 3.09Å; R211-D213 WeakPolarHBondContact CB-OD1 3.39Å; R211-D213 IonicContact CZ-OD1 3.31Å; R211-D213 IonicContact CZ-OD2 3.32Å; R211-D213 IonicContact NE-OD1 3.65Å; R211-D213 PolarHBondContact NE-OD1 2.78Å; R211-D213 IonicContact NE-OD2 3.18Å; R211-D213 IonicContact NH2-OD1 2.7Å; R211-D213 PolarHBondContact NH2-OD1 2.85Å; R211-D213 IonicContact NH2-OD2 2.71Å; R211-D213 PolarHBondContact NH2-OD2 3.26Å; R211-D213 PolarHBondContact O-N 2.5Å; R211-D213 VanDerWaalsContact O-N 3.12Å; D213-D215 VanDerWaalsContact C-N 3.25Å; D213-D215 PolarHBondContact O-N 3.15Å; D213-D215 VanDerWaalsContact O-N 3.09Å; D213-E216 WeakPolarHBondContact O-CB 3.36Å; D213-E216 PolarHBondContact O-N 3.33Å; D213-E216 VanDerWaalsContact O-N 3.08Å; D213-H217 PolarHBondContact O-ND1 3.41Å; D213-H217 IonicContact OD2-CE1 2.68Å
214	R	90.3	Very high	90.5	Very high	18 Å²	18	31.8 Å²	31.8	7%	0.068	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.4	-175.3	86.7	-77.4	166	-108	-4.4	115.3	H209 R211 E216 H217 V218 Y248	H209-R214 VanDerWaalsContact O-CG 3.25Å; H209-R214 WeakPolarHBondContact O-CG 3.01Å; R211-R214 HydrophobicContact CB-CB 4.41Å; R211-R214 WeakPolarHBondContact O-CB 3.3Å; R211-R214 WeakPolarHBondContact O-CD 3.07Å; R211-R214 PolarHBondContact O-N 2.91Å; R214-E216 PolarHBondContact O-N 2.96Å; R214-E216 VanDerWaalsContact O-N 3.17Å; R214-H217 WeakPolarHBondContact O-CA 3.36Å; R214-H217 PolarHBondContact O-N 3.14Å; R214-V218 HydrophobicContact CB-CG2 3.99Å; R214-V218 HydrophobicContact CG-CG2 4.1Å; R214-V218 WeakPolarHBondContact O-CG2 3.23Å; R214-V218 PolarHBondContact O-N 2.93Å; R214-Y248 HydrophobicContact CB-CE2 4Å
215	D	90.6	Very high	90.3	Very high	58 Å²	58	31.8 Å²	31.8	31%	0.31	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-68.2	-15.5	-177.9	-80.3	-12	0	0	0	112.4	D213 K235 R273	D213-D215 VanDerWaalsContact C-N 3.25Å; D213-D215 PolarHBondContact O-N 3.15Å; D213-D215 VanDerWaalsContact O-N 3.09Å; D215-K235 IonicContact OD2-NZ 2.72Å; D215-R273 VanDerWaalsContact O-CD 3.28Å; D215-R273 WeakPolarHBondContact O-CD 3.07Å; D215-R273 PolarHBondContact O-NE 3.26Å; D215-R273 PolarHBondContact O-NH1 3.45Å
216	E	90.7	Very high	90	Very high	110 Å²	110	35.7 Å²	35.7	51%	0.514	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-74.8	-16.9	171.8	-63.5	175.4	-165.9	0	0	111.4	D213 R214 Y274	D213-E216 WeakPolarHBondContact O-CB 3.36Å; D213-E216 PolarHBondContact O-N 3.33Å; D213-E216 VanDerWaalsContact O-N 3.08Å; R214-E216 PolarHBondContact O-N 2.96Å; R214-E216 VanDerWaalsContact O-N 3.17Å; E216-Y274 WeakPolarHBondContact O-CE1 3.19Å
217	H	90.8	Very high	89.8	Confident	14 Å²	14	40.8 Å²	40.8	7%	0.065	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-40.9	-166.4	-54.9	87.1	0	0	0	113	D213 R214 Y248 F250 R273 Y274	D213-H217 PolarHBondContact O-ND1 3.41Å; D213-H217 IonicContact OD2-CE1 2.68Å; R214-H217 WeakPolarHBondContact O-CA 3.36Å; R214-H217 PolarHBondContact O-N 3.14Å; H217-Y248 HydrophobicContact CB-CD1 3.66Å; H217-Y248 HydrophobicContact CB-CD2 3.88Å; H217-Y248 HydrophobicContact CB-CE1 3.96Å; H217-Y248 HydrophobicContact CB-CE2 4.18Å; H217-Y248 HydrophobicContact CB-CG 3.62Å; H217-Y248 WeakPolarHBondContact CD2-CB 3.46Å; H217-Y248 AromaticContact CD2-CG 3.58Å; H217-Y248 AromaticContact CG-CD2 3.71Å; H217-Y248 AromaticContact CG-CG 3.47Å; H217-Y248 VanDerWaalsContact CG-CG 3.47Å; H217-Y248 AromaticContact ND1-CD2 3.83Å; H217-Y248 WeakPolarHBondContact NE2-CB 3.09Å; H217-F250 HydrophobicContact CB-CE1 4.41Å; H217-F250 HydrophobicContact CB-CZ 4.02Å; H217-R273 PolarHBondContact O-N 2.67Å; H217-Y274 PolarHBondContact CD2-OH 2.95Å
218	V	93.2	Very high	89.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.2	-178.6	-64.1	0	0	0	0	111.1	R214 Y248 F250 I270 L271	R214-V218 HydrophobicContact CB-CG2 3.99Å; R214-V218 HydrophobicContact CG-CG2 4.1Å; R214-V218 WeakPolarHBondContact O-CG2 3.23Å; R214-V218 PolarHBondContact O-N 2.93Å; V218-Y248 HydrophobicContact CG1-CE1 3.97Å; V218-F250 HydrophobicContact CG1-CD1 4.32Å; V218-F250 HydrophobicContact CG1-CE1 3.73Å; V218-I270 HydrophobicContact CB-CG2 3.84Å; V218-I270 HydrophobicContact CG1-CG2 4.04Å; V218-I270 HydrophobicContact CG2-CG2 4.2Å; V218-L271 CarbonylContact C-O 3.35Å; V218-L271 WeakPolarHBondContact CA-O 3.43Å
219	S	92.4	Very high	88.7	Confident	35 Å²	35	44.9 Å²	44.9	25%	0.245	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.5	170.1	-59.3	0	0	0	0	109.6	L271 R273	S219-L271 PolarHBondContact N-O 2.85Å; S219-L271 PolarHBondContact O-N 3.36Å; S219-R273 WeakPolarHBondContact OG-CG 3.12Å; S219-R273 PolarHBondContact OG-NE 3.11Å
220	I	93.2	Very high	88.2	Confident	30 Å²	30	47.8 Å²	47.8	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.7	173.3	-53.7	-53.9	0	0	0	108.9	R222 I225 F233 T269 I270	I220-R222 HydrophobicContact CG2-CG 4.22Å; I220-R222 PolarHBondContact O-N 3.4Å; I220-I225 HydrophobicContact CG2-CD1 3.9Å; I220-F233 HydrophobicContact CD1-CD1 4.04Å; I220-F233 HydrophobicContact CG2-CB 4.02Å; I220-F233 HydrophobicContact CG2-CD1 4.01Å; I220-F233 HydrophobicContact CG2-CG 4.14Å; I220-T269 CarbonylContact C-O 3.56Å; I220-T269 WeakPolarHBondContact CA-O 3.36Å; I220-I270 HydrophobicContact CD1-CB 4.39Å; I220-I270 HydrophobicContact CD1-CD1 4.4Å; I220-I270 HydrophobicContact CD1-CG1 3.89Å; I220-I270 HydrophobicContact CD1-CG2 4.1Å
221	I	91.9	Very high	87.8	Confident	53 Å²	53	50.6 Å²	50.6	27%	0.272	27%	0.266	S	S	.	.			trans	-90	86.2	179.1	-52.6	174.5	0	0	0	108	D223 N224 D268 T269 L271	I221-D223 PolarHBondContact O-N 3.13Å; I221-N224 HydrophobicContact CB-CB 4.4Å; I221-N224 HydrophobicContact CG2-CB 4.08Å; I221-N224 WeakPolarHBondContact CG2-ND2 3.38Å; I221-N224 PolarHBondContact O-N 3.33Å; I221-D268 WeakPolarHBondContact CD1-O 3.16Å; I221-T269 PolarHBondContact N-O 3.19Å; I221-L271 HydrophobicContact CD1-CB 4.25Å; I221-L271 HydrophobicContact CD1-CD2 4.43Å
222	R	89.8	Confident	87.5	Confident	120 Å²	120	50.7 Å²	50.7	45%	0.453	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-59.8	-34.3	-173.6	-67.4	-174.6	176.6	-81.2	-3.5	113.2	I220 N224 I225	I220-R222 HydrophobicContact CG2-CG 4.22Å; I220-R222 PolarHBondContact O-N 3.4Å; R222-N224 PolarHBondContact O-N 3.24Å; R222-N224 VanDerWaalsContact O-N 3.14Å; R222-I225 HydrophobicContact CB-CD1 4.47Å; R222-I225 HydrophobicContact CG-CD1 4.36Å; R222-I225 WeakPolarHBondContact O-CB 3.32Å; R222-I225 PolarHBondContact O-N 3.44Å
223	D	90.6	Very high	87.5	Confident	127 Å²	127	49.3 Å²	49.3	68%	0.679	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-66.4	-12.3	177.8	-58.9	-29.5	0	0	0	113.6	I221 R263	I221-D223 PolarHBondContact O-N 3.13Å; D223-R263 PolarHBondContact O-NE 3.39Å; D223-R263 PolarHBondContact O-NH1 3.34Å; D223-R263 PolarHBondContact O-NH2 3.01Å
224	N	91.2	Very high	87.4	Confident	30 Å²	30	52.1 Å²	52.1	16%	0.16	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-98.8	-6.4	175.7	-70.7	-12.6	0	0	0	112.6	I221 R222 S262 R263 L267 D268 T269	I221-N224 HydrophobicContact CB-CB 4.4Å; I221-N224 HydrophobicContact CG2-CB 4.08Å; I221-N224 WeakPolarHBondContact CG2-ND2 3.38Å; I221-N224 PolarHBondContact O-N 3.33Å; R222-N224 PolarHBondContact O-N 3.24Å; R222-N224 VanDerWaalsContact O-N 3.14Å; N224-S262 CarbonylContact O-C 3.28Å; N224-S262 WeakPolarHBondContact O-CA 3.31Å; N224-R263 WeakPolarHBondContact O-CG 3.28Å; N224-R263 PolarHBondContact O-N 2.83Å; N224-L267 HydrophobicContact CB-CB 4.16Å; N224-D268 WeakPolarHBondContact CB-O 3.33Å; N224-D268 PolarHBondContact ND2-O 3.44Å; N224-T269 HydrophobicContact CB-CG2 4.19Å
225	I	89.1	Confident	87.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-77.4	143.6	-178.8	-56.4	172.5	0	0	0	109.6	I220 R222 Q229 E230 F233 R263 T269	I220-I225 HydrophobicContact CG2-CD1 3.9Å; R222-I225 HydrophobicContact CB-CD1 4.47Å; R222-I225 HydrophobicContact CG-CD1 4.36Å; R222-I225 WeakPolarHBondContact O-CB 3.32Å; R222-I225 PolarHBondContact O-N 3.44Å; I225-Q229 HydrophobicContact CG2-CB 4.02Å; I225-E230 HydrophobicContact CG2-CG 4.22Å; I225-F233 HydrophobicContact CD1-CB 4.5Å; I225-F233 HydrophobicContact CD1-CD2 3.6Å; I225-F233 HydrophobicContact CD1-CE2 3.85Å; I225-F233 HydrophobicContact CD1-CG 3.98Å; I225-F233 HydrophobicContact CD1-CZ 4.41Å; I225-F233 HydrophobicContact CG1-CD2 4.33Å; I225-F233 HydrophobicContact CG1-CE2 4.06Å; I225-F233 HydrophobicContact CG1-CZ 4.42Å; I225-F233 HydrophobicContact CG2-CD2 4.33Å; I225-F233 HydrophobicContact CG2-CE2 3.91Å; I225-R263 PolarHBondContact O-NE 2.75Å; I225-R263 VanDerWaalsContact O-NE 3.13Å; I225-R263 PolarHBondContact O-NH2 2.7Å; I225-T269 HydrophobicContact CG1-CG2 3.94Å
226	Q	86.2	Confident	86.8	Confident	83 Å²	83	53.7 Å²	53.7	39%	0.388	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62.6	135.3	171	-70.9	175	8	0	0	110.6	G228 Q229 F261 S262 R263	Q226-G228 PolarHBondContact O-N 3.26Å; Q226-Q229 HydrophobicContact CB-CB 4.32Å; Q226-Q229 HydrophobicContact CB-CG 3.99Å; Q226-Q229 WeakPolarHBondContact O-CB 3.47Å; Q226-Q229 PolarHBondContact O-N 3.47Å; Q226-F261 WeakPolarHBondContact CG-O 3.44Å; Q226-F261 PolarHBondContact N-O 3.24Å; Q226-S262 WeakPolarHBondContact CG-O 3.4Å; Q226-S262 PolarHBondContact NE2-O 2.79Å; Q226-R263 HydrophobicContact CG-CB 4.37Å
227	P	84.6	Confident	86.1	Confident	110 Å²	110	53.1 Å²	53.1	71%	0.714	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	128.8	178.1	-25.9	34.3	0	0	0	112.1
228	G	78	Confident	85.1	Confident	48 Å²	48	55.4 Å²	55.4	50%	0.495	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-2.5	-179.8	0	0	0	0	0	114.6	Q226 E230 Y231	Q226-G228 PolarHBondContact O-N 3.26Å; G228-E230 VanDerWaalsContact C-OE2 3.3Å; G228-E230 VanDerWaalsContact CA-OE2 3.22Å; G228-E230 WeakPolarHBondContact CA-OE2 3.31Å; G228-E230 PolarHBondContact N-OE2 2.01Å; G228-Y231 VanDerWaalsContact O-CD1 3.23Å; G228-Y231 WeakPolarHBondContact O-CD1 3.19Å; G228-Y231 WeakPolarHBondContact O-CE1 3.36Å
229	Q	81.8	Confident	83.9	Confident	49 Å²	49	57.8 Å²	57.8	23%	0.229	32%	0.317	C	S	.	.			trans	-103.1	5.7	178	-62.1	-62.5	-32.6	0	0	113.5	I225 Q226 Y231 N232 F261	I225-Q229 HydrophobicContact CG2-CB 4.02Å; Q226-Q229 HydrophobicContact CB-CB 4.32Å; Q226-Q229 HydrophobicContact CB-CG 3.99Å; Q226-Q229 WeakPolarHBondContact O-CB 3.47Å; Q226-Q229 PolarHBondContact O-N 3.47Å; Q229-Y231 PolarHBondContact O-N 3.26Å; Q229-N232 PolarHBondContact O-N 3.19Å; Q229-N232 PolarHBondContact O-ND2 2.8Å; Q229-N232 PolarHBondContact OE1-ND2 3.2Å; Q229-F261 HydrophobicContact CB-CB 3.98Å; Q229-F261 HydrophobicContact CB-CD1 4.16Å; Q229-F261 HydrophobicContact CB-CG 4.12Å; Q229-F261 HydrophobicContact CG-CB 4.46Å; Q229-F261 HydrophobicContact CG-CD1 3.95Å; Q229-F261 HydrophobicContact CG-CG 4.41Å
230	E	80.6	Confident	83	Confident	61 Å²	61	57 Å²	57	29%	0.285	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65.9	-25	-175.2	-62.2	81.3	179.3	0	0	113.1	I225 G228 N232 F233	I225-E230 HydrophobicContact CG2-CG 4.22Å; G228-E230 VanDerWaalsContact C-OE2 3.3Å; G228-E230 VanDerWaalsContact CA-OE2 3.22Å; G228-E230 WeakPolarHBondContact CA-OE2 3.31Å; G228-E230 PolarHBondContact N-OE2 2.01Å; E230-N232 PolarHBondContact O-N 2.88Å; E230-F233 PolarHBondContact O-N 2.9Å
231	Y	79.7	Confident	82.2	Confident	69 Å²	69	55.5 Å²	55.5	27%	0.271	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.5	-29.3	179.9	69.7	-90.3	0	0	0	112.4	F51 L52 G228 Q229 F233 L234	F51-Y231 WeakPolarHBondContact O-CD2 3.32Å; F51-Y231 WeakPolarHBondContact O-CE2 3.42Å; L52-Y231 HydrophobicContact CD2-CD2 3.96Å; L52-Y231 WeakPolarHBondContact CD2-O 3.31Å; G228-Y231 VanDerWaalsContact O-CD1 3.23Å; G228-Y231 WeakPolarHBondContact O-CD1 3.19Å; G228-Y231 WeakPolarHBondContact O-CE1 3.36Å; Q229-Y231 PolarHBondContact O-N 3.26Å; Y231-F233 PolarHBondContact O-N 3.39Å; Y231-F233 VanDerWaalsContact O-N 3.12Å; Y231-L234 WeakPolarHBondContact O-CB 2.91Å; Y231-L234 WeakPolarHBondContact O-CG 3.49Å; Y231-L234 PolarHBondContact O-N 3.36Å; Y231-L234 VanDerWaalsContact O-N 3.14Å
232	N	80.1	Confident	81.7	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65.6	-13.4	177.8	-61.2	-62.8	0	0	0	114.3	G53 H209 Q229 E230 Y256 F261	G53-N232 WeakPolarHBondContact CA-OD1 3.17Å; G53-N232 PolarHBondContact N-OD1 3.32Å; H209-N232 PolarHBondContact NE2-O 3.4Å; Q229-N232 PolarHBondContact O-N 3.19Å; Q229-N232 PolarHBondContact O-ND2 2.8Å; Q229-N232 PolarHBondContact OE1-ND2 3.2Å; E230-N232 PolarHBondContact O-N 2.88Å; N232-Y256 HydrophobicContact CB-CE2 4.31Å; N232-F261 HydrophobicContact CB-CD2 4.06Å; N232-F261 HydrophobicContact CB-CE2 3.94Å
233	F	86.7	Confident	81.1	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-110.4	11.1	-179.4	-58.6	-93.9	0	0	0	112.3	I220 I225 E230 Y231 Y256 T260 F261 I270	I220-F233 HydrophobicContact CD1-CD1 4.04Å; I220-F233 HydrophobicContact CG2-CB 4.02Å; I220-F233 HydrophobicContact CG2-CD1 4.01Å; I220-F233 HydrophobicContact CG2-CG 4.14Å; I225-F233 HydrophobicContact CD1-CB 4.5Å; I225-F233 HydrophobicContact CD1-CD2 3.6Å; I225-F233 HydrophobicContact CD1-CE2 3.85Å; I225-F233 HydrophobicContact CD1-CG 3.98Å; I225-F233 HydrophobicContact CD1-CZ 4.41Å; I225-F233 HydrophobicContact CG1-CD2 4.33Å; I225-F233 HydrophobicContact CG1-CE2 4.06Å; I225-F233 HydrophobicContact CG1-CZ 4.42Å; I225-F233 HydrophobicContact CG2-CD2 4.33Å; I225-F233 HydrophobicContact CG2-CE2 3.91Å; E230-F233 PolarHBondContact O-N 2.9Å; Y231-F233 PolarHBondContact O-N 3.39Å; Y231-F233 VanDerWaalsContact O-N 3.12Å; F233-Y256 HydrophobicContact CE1-CD2 4.41Å; F233-T260 WeakPolarHBondContact CZ-O 3.37Å; F233-F261 HydrophobicContact CE2-CB 4.02Å; F233-F261 HydrophobicContact CE2-CD2 4.05Å; F233-F261 HydrophobicContact CE2-CG 4.48Å; F233-F261 HydrophobicContact CZ-CB 4.18Å; F233-F261 HydrophobicContact CZ-CD2 4.18Å; F233-I270 HydrophobicContact CD1-CD1 4.23Å; F233-I270 HydrophobicContact CD1-CG1 4.19Å; F233-I270 HydrophobicContact CE1-CD1 3.83Å; F233-I270 HydrophobicContact CE1-CG1 3.71Å
234	L	84.4	Confident	80.7	Confident	75 Å²	75	46 Å²	46	39%	0.393	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-69	146.4	172.6	-66.7	174.4	0	0	0	110.3	Y231	Y231-L234 WeakPolarHBondContact O-CB 2.91Å; Y231-L234 WeakPolarHBondContact O-CG 3.49Å; Y231-L234 PolarHBondContact O-N 3.36Å; Y231-L234 VanDerWaalsContact O-N 3.14Å
235	K	85.9	Confident	80.1	Confident	101 Å²	101	47.6 Å²	47.6	44%	0.439	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-71.7	143.1	170.4	-82.7	-175.3	-87	-156.2	0	110.1	T210 P212 D215	T210-K235 WeakPolarHBondContact O-CA 3.31Å; P212-K235 WeakPolarHBondContact O-CD 3.15Å; D215-K235 IonicContact OD2-NZ 2.72Å
236	M	81.3	Confident	80	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.039	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.2	148.3	162.9	-65.1	-61.9	-64.8	0	0	111.3	F65 W206 T210 E240 V241	F65-M236 HydrophobicContact CE1-CE 3.58Å; F65-M236 HydrophobicContact CE1-SD 3.83Å; F65-M236 HydrophobicContact CZ-CE 3.56Å; F65-M236 HydrophobicContact CZ-SD 3.98Å; W206-M236 HydrophobicContact CD2-CE 3.63Å; W206-M236 HydrophobicContact CD2-CG 4.43Å; W206-M236 HydrophobicContact CD2-SD 4.25Å; W206-M236 HydrophobicContact CE3-CE 3.6Å; W206-M236 HydrophobicContact CE3-CG 4.39Å; W206-M236 HydrophobicContact CE3-SD 3.79Å; W206-M236 HydrophobicContact CG-CE 4.45Å; W206-M236 HydrophobicContact CH2-CE 3.53Å; W206-M236 HydrophobicContact CH2-SD 4.46Å; W206-M236 HydrophobicContact CZ2-CE 3.5Å; W206-M236 HydrophobicContact CZ3-CE 3.56Å; W206-M236 HydrophobicContact CZ3-SD 3.92Å; T210-M236 PolarHBondContact O-N 2.81Å; T210-M236 WeakPolarHBondContact OG1-CG 2.95Å; M236-E240 HydrophobicContact CE-CB 3.92Å; M236-V241 HydrophobicContact CB-CB 4.3Å; M236-V241 HydrophobicContact CB-CG2 3.29Å; M236-V241 HydrophobicContact CE-CG2 3.93Å; M236-V241 HydrophobicContact CG-CG2 3.7Å
237	E	77.3	Confident	80.2	Confident	97 Å²	97	50.6 Å²	50.6	45%	0.453	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-68.2	149.3	173.6	-65.8	-157.8	164.3	0	0	111.2	G239 E240	E237-G239 PolarHBondContact O-N 3.03Å; E237-G239 VanDerWaalsContact O-N 3.11Å; E237-E240 PolarHBondContact O-N 3.08Å; E237-E240 VanDerWaalsContact O-N 3.12Å
238	S	69.2	Low	80.4	Confident	63 Å²	63	46 Å²	46	44%	0.441	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.3	-179.5	-60.1	0	0	0	0	112.6	R104 E240	R104-S238 WeakPolarHBondContact CD-O 3.28Å; R104-S238 PolarHBondContact NH1-O 3Å; S238-E240 VanDerWaalsContact C-N 3.33Å; S238-E240 PolarHBondContact O-N 3.29Å
239	G	68.9	Low	81.1	Confident	50 Å²	50	45 Å²	45	52%	0.515	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.2	178.2	0	0	0	0	0	115	S108 E237	S108-G239 WeakPolarHBondContact CB-O 3.28Å; S108-G239 VanDerWaalsContact OG-C 3.31Å; S108-G239 PolarHBondContact OG-O 3.32Å; E237-G239 PolarHBondContact O-N 3.03Å; E237-G239 VanDerWaalsContact O-N 3.11Å
240	E	72	Confident	81.6	Confident	17 Å²	17	43.3 Å²	43.3	8%	0.079	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-16.8	-168.1	-68.4	-56.5	133.3	0	0	114.7	S108 R109 W206 M236 E237 S238	S108-E240 PolarHBondContact N-O 3.03Å; S108-E240 WeakPolarHBondContact OG-CA 3.49Å; S108-E240 PolarHBondContact OG-N 3.41Å; S108-E240 PolarHBondContact OG-O 3.47Å; R109-E240 IonicContact CZ-OE1 3.28Å; R109-E240 VanDerWaalsContact CZ-OE1 3.31Å; R109-E240 IonicContact CZ-OE2 3.97Å; R109-E240 VanDerWaalsContact CZ-OE2 3.25Å; R109-E240 VanDerWaalsContact NE-CD 3.32Å; R109-E240 IonicContact NE-OE1 3.06Å; R109-E240 PolarHBondContact NE-OE1 3.16Å; R109-E240 VanDerWaalsContact NE-OE1 3.08Å; R109-E240 IonicContact NE-OE2 3.73Å; R109-E240 PolarHBondContact NE-OE2 2.97Å; R109-E240 IonicContact NH2-OE1 3.02Å; R109-E240 PolarHBondContact NH2-OE1 3.42Å; R109-E240 IonicContact NH2-OE2 3.81Å; R109-E240 PolarHBondContact NH2-OE2 3.46Å; R109-E240 VanDerWaalsContact NH2-OE2 3.13Å; W206-E240 PolarHBondContact NE1-O 3.47Å; M236-E240 HydrophobicContact CE-CB 3.92Å; E237-E240 PolarHBondContact O-N 3.08Å; E237-E240 VanDerWaalsContact O-N 3.12Å; S238-E240 VanDerWaalsContact C-N 3.33Å; S238-E240 PolarHBondContact O-N 3.29Å
241	V	78.1	Confident	82.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.8	-169.9	-174.1	0	0	0	0	109.6	R104 A106 S108 W206 M236	R104-V241 VanDerWaalsContact C-CG1 3.47Å; R104-V241 HydrophobicContact CB-CB 4.38Å; R104-V241 HydrophobicContact CB-CG1 4.19Å; R104-V241 VanDerWaalsContact CB-O 3.28Å; R104-V241 WeakPolarHBondContact CB-O 3.42Å; R104-V241 WeakPolarHBondContact CD-O 3.11Å; R104-V241 WeakPolarHBondContact CG-O 3.38Å; R104-V241 WeakPolarHBondContact O-CG1 3.49Å; A106-V241 CarbonylContact O-C 3.56Å; A106-V241 VanDerWaalsContact O-C 3.28Å; A106-V241 WeakPolarHBondContact O-CA 3.36Å; S108-V241 PolarHBondContact OG-N 3.44Å; W206-V241 HydrophobicContact CD2-CG2 4.43Å; W206-V241 HydrophobicContact CG-CG2 3.92Å; M236-V241 HydrophobicContact CB-CB 4.3Å; M236-V241 HydrophobicContact CB-CG2 3.29Å; M236-V241 HydrophobicContact CE-CG2 3.93Å; M236-V241 HydrophobicContact CG-CG2 3.7Å
242	D	80.2	Confident	82.8	Confident	53 Å²	53	39.6 Å²	39.6	28%	0.283	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	124.4	177.1	-169.9	-6.9	0	0	0	111.8	A106 L244	A106-D242 WeakPolarHBondContact CA-O 3.46Å; A106-D242 WeakPolarHBondContact CB-O 3.41Å; A106-D242 PolarHBondContact N-O 3.24Å; A106-D242 PolarHBondContact O-N 3.14Å; D242-L244 HydrophobicContact CB-CD2 4.33Å; D242-L244 PolarHBondContact O-N 3.11Å; D242-L244 PolarHBondContact OD1-N 3.46Å
243	S	76.4	Confident	83.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.234	C	C	.	.			trans	-84.5	-8.7	-175.6	-72.1	0	0	0	0	109.6	K103 R104 A105 R211 G245 E246 Q296	K103-S243 VanDerWaalsContact O-CB 3.3Å; K103-S243 WeakPolarHBondContact O-CB 3.33Å; R104-S243 WeakPolarHBondContact CA-OG 3.38Å; R104-S243 PolarHBondContact N-OG 3.49Å; A105-S243 WeakPolarHBondContact CB-OG 3.3Å; A105-S243 PolarHBondContact N-OG 3.18Å; R211-S243 PolarHBondContact NH1-OG 3.43Å; R211-S243 PolarHBondContact NH2-OG 3.06Å; S243-G245 PolarHBondContact O-N 2.89Å; S243-E246 WeakPolarHBondContact O-CB 3.44Å; S243-E246 WeakPolarHBondContact O-CG 3.08Å; S243-E246 PolarHBondContact O-N 2.78Å; S243-Q296 PolarHBondContact O-NE2 3.34Å
244	L	82.4	Confident	83.8	Confident	48 Å²	48	39.3 Å²	39.3	25%	0.251	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	32	-175.4	-50	171.8	0	0	0	111.1	D242 Q296 K299 L300	D242-L244 HydrophobicContact CB-CD2 4.33Å; D242-L244 PolarHBondContact O-N 3.11Å; D242-L244 PolarHBondContact OD1-N 3.46Å; L244-Q296 HydrophobicContact CD1-CG 4.3Å; L244-Q296 WeakPolarHBondContact CD1-O 3.29Å; L244-K299 HydrophobicContact CB-CB 3.9Å; L244-K299 HydrophobicContact CB-CD 3.91Å; L244-K299 HydrophobicContact CD1-CB 3.71Å; L244-K299 HydrophobicContact CG-CB 4.44Å; L244-K299 VanDerWaalsContact O-CD 3.26Å; L244-K299 WeakPolarHBondContact O-CD 3.5Å; L244-K299 PolarHBondContact O-NZ 2.93Å; L244-L300 VanDerWaalsContact CD1-CA 3.48Å; L244-L300 HydrophobicContact CD1-CB 3.67Å; L244-L300 HydrophobicContact CD1-CD1 4.2Å; L244-L300 VanDerWaalsContact CD1-N 3.28Å
245	G	79.8	Confident	84.2	Confident	63 Å²	63	35.8 Å²	35.8	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	11.6	-178	0	0	0	0	0	115.7	S243	S243-G245 PolarHBondContact O-N 2.89Å
246	E	87.3	Confident	84.5	Confident	36 Å²	36	31.3 Å²	31.3	17%	0.168	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-73	150.3	171.4	-65.2	-57.6	146.8	0	0	112.7	S243 A295 Q296 K299	S243-E246 WeakPolarHBondContact O-CB 3.44Å; S243-E246 WeakPolarHBondContact O-CG 3.08Å; S243-E246 PolarHBondContact O-N 2.78Å; E246-A295 WeakPolarHBondContact OE1-CB 3.24Å; E246-Q296 HydrophobicContact CG-CB 4.05Å; E246-K299 WeakPolarHBondContact OE1-CD 3.41Å; E246-K299 WeakPolarHBondContact OE1-CE 3.43Å; E246-K299 IonicContact OE1-NZ 3.08Å; E246-K299 PolarHBondContact OE1-NZ 3.29Å
247	V	89.3	Confident	84.9	Confident	110 Å²	110	32.1 Å²	32.1	67%	0.667	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-72.9	173	174	-63.2	0	0	0	0	111.1	R211	R211-V247 PolarHBondContact NH1-O 2.84Å
248	Y	89.9	Confident	85.6	Confident	13 Å²	13	34.7 Å²	34.7	5%	0.051	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-70.3	129.2	173.4	-163.7	-91.2	0	0	0	110.6	E208 H209 R214 H217 V218 F250 H255	E208-Y248 HydrophobicContact CG-CE1 4.32Å; E208-Y248 HydrophobicContact CG-CE2 4.12Å; E208-Y248 VanDerWaalsContact O-CE2 3.22Å; E208-Y248 WeakPolarHBondContact O-CE2 3.09Å; E208-Y248 PolarHBondContact O-OH 3.13Å; E208-Y248 WeakPolarHBondContact OE1-CA 3.38Å; H209-Y248 WeakPolarHBondContact CA-OH 3.43Å; R214-Y248 HydrophobicContact CB-CE2 4Å; H217-Y248 HydrophobicContact CB-CD1 3.66Å; H217-Y248 HydrophobicContact CB-CD2 3.88Å; H217-Y248 HydrophobicContact CB-CE1 3.96Å; H217-Y248 HydrophobicContact CB-CE2 4.18Å; H217-Y248 HydrophobicContact CB-CG 3.62Å; H217-Y248 WeakPolarHBondContact CD2-CB 3.46Å; H217-Y248 AromaticContact CD2-CG 3.58Å; H217-Y248 AromaticContact CG-CD2 3.71Å; H217-Y248 AromaticContact CG-CG 3.47Å; H217-Y248 VanDerWaalsContact CG-CG 3.47Å; H217-Y248 AromaticContact ND1-CD2 3.83Å; H217-Y248 WeakPolarHBondContact NE2-CB 3.09Å; V218-Y248 HydrophobicContact CG1-CE1 3.97Å; Y248-F250 AromaticContact CD1-CD1 3.94Å; Y248-F250 HydrophobicContact CD1-CD1 3.94Å; Y248-F250 HydrophobicContact CD1-CD2 4.16Å; Y248-F250 AromaticContact CD1-CE1 3.78Å; Y248-F250 HydrophobicContact CD1-CE1 3.78Å; Y248-F250 HydrophobicContact CD1-CE2 4Å; Y248-F250 HydrophobicContact CD1-CG 4.14Å; Y248-F250 AromaticContact CD1-CZ 3.82Å; Y248-F250 HydrophobicContact CD1-CZ 3.82Å; Y248-F250 AromaticContact CE1-CD1 3.76Å; Y248-F250 HydrophobicContact CE1-CD1 3.76Å; Y248-F250 AromaticContact CE1-CE1 3.7Å; Y248-F250 HydrophobicContact CE1-CE1 3.7Å; Y248-F250 HydrophobicContact CE1-CG 4.33Å; Y248-F250 HydrophobicContact CE1-CZ 4.21Å; Y248-H255 AromaticContact CE1-NE2 3.79Å; Y248-H255 AromaticContact CZ-NE2 3.81Å; Y248-H255 PolarHBondContact OH-CD2 2.93Å; Y248-H255 PolarHBondContact OH-NE2 2.96Å
249	D	92.1	Very high	86.4	Confident	26 Å²	26	34.8 Å²	34.8	14%	0.139	21%	0.205	C	C	.	.			trans	-111.8	93.3	-173.8	-168.9	-5.9	0	0	0	112.4	E208 D251 S252 S290 G292	E208-D249 PolarHBondContact OE1-N 3.06Å; D249-D251 PolarHBondContact O-N 3.26Å; D249-D251 PolarHBondContact OD1-N 3.23Å; D249-S252 VanDerWaalsContact O-CB 3.22Å; D249-S252 WeakPolarHBondContact O-CB 3.39Å; D249-S252 PolarHBondContact O-N 3.3Å; D249-S252 VanDerWaalsContact O-N 3.11Å; D249-S252 PolarHBondContact OD1-N 2.7Å; D249-S290 WeakPolarHBondContact OD2-CB 3.33Å; D249-S290 PolarHBondContact OD2-OG 3.48Å; D249-G292 WeakPolarHBondContact OD2-CA 3.44Å; D249-G292 PolarHBondContact OD2-N 2.93Å; D249-G292 VanDerWaalsContact OD2-N 3.15Å
250	F	92	Very high	87.3	Confident	15 Å²	15	34 Å²	34	7%	0.066	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.8	176.5	-63.4	-78.8	0	0	0	113.4	H217 V218 Y248 S252 P272 Y274 V276 P281 I283	H217-F250 HydrophobicContact CB-CE1 4.41Å; H217-F250 HydrophobicContact CB-CZ 4.02Å; V218-F250 HydrophobicContact CG1-CD1 4.32Å; V218-F250 HydrophobicContact CG1-CE1 3.73Å; Y248-F250 AromaticContact CD1-CD1 3.94Å; Y248-F250 HydrophobicContact CD1-CD1 3.94Å; Y248-F250 HydrophobicContact CD1-CD2 4.16Å; Y248-F250 AromaticContact CD1-CE1 3.78Å; Y248-F250 HydrophobicContact CD1-CE1 3.78Å; Y248-F250 HydrophobicContact CD1-CE2 4Å; Y248-F250 HydrophobicContact CD1-CG 4.14Å; Y248-F250 AromaticContact CD1-CZ 3.82Å; Y248-F250 HydrophobicContact CD1-CZ 3.82Å; Y248-F250 AromaticContact CE1-CD1 3.76Å; Y248-F250 HydrophobicContact CE1-CD1 3.76Å; Y248-F250 AromaticContact CE1-CE1 3.7Å; Y248-F250 HydrophobicContact CE1-CE1 3.7Å; Y248-F250 HydrophobicContact CE1-CG 4.33Å; Y248-F250 HydrophobicContact CE1-CZ 4.21Å; F250-S252 VanDerWaalsContact C-N 3.34Å; F250-P272 HydrophobicContact CD1-CB 4.33Å; F250-P272 HydrophobicContact CD1-CG 4.33Å; F250-P272 HydrophobicContact CE1-CB 3.87Å; F250-P272 HydrophobicContact CE1-CG 4.31Å; F250-Y274 HydrophobicContact CE2-CE2 4.05Å; F250-Y274 HydrophobicContact CZ-CE2 4.27Å; F250-V276 HydrophobicContact CE2-CG2 4.35Å; F250-P281 HydrophobicContact CB-CB 3.88Å; F250-P281 HydrophobicContact CB-CG 4.28Å; F250-P281 HydrophobicContact CD1-CB 4.48Å; F250-P281 HydrophobicContact CD1-CG 3.96Å; F250-P281 HydrophobicContact CD2-CB 4.13Å; F250-P281 HydrophobicContact CD2-CG 3.87Å; F250-P281 HydrophobicContact CE1-CG 4.21Å; F250-P281 HydrophobicContact CE2-CG 4.14Å; F250-P281 HydrophobicContact CG-CB 3.92Å; F250-P281 HydrophobicContact CG-CG 3.78Å; F250-P281 HydrophobicContact CZ-CG 4.3Å; F250-I283 HydrophobicContact CB-CG2 3.92Å; F250-I283 HydrophobicContact CD1-CG2 3.76Å; F250-I283 HydrophobicContact CG-CG2 4.34Å
251	D	92.2	Very high	88.1	Confident	50 Å²	50	36 Å²	36	27%	0.267	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.2	180	-162.1	43.9	0	0	0	112.1	D249 I253 Q285 R288	D249-D251 PolarHBondContact O-N 3.26Å; D249-D251 PolarHBondContact OD1-N 3.23Å; D251-I253 PolarHBondContact O-N 2.85Å; D251-Q285 WeakPolarHBondContact O-CG 3.13Å; D251-Q285 PolarHBondContact O-NE2 2.99Å; D251-R288 IonicContact OD1-NH2 2.8Å; D251-R288 IonicContact OD2-CZ 3.91Å; D251-R288 IonicContact OD2-NH2 3.81Å; D251-R288 PolarHBondContact OD2-NH2 3.07Å
252	S	93.9	Very high	88.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	20%	0.203	C	C	.	.			trans	-55.8	135.7	-179.3	174.9	0	0	0	0	111.2	D249 F250 M254 H255 D293	D249-S252 VanDerWaalsContact O-CB 3.22Å; D249-S252 WeakPolarHBondContact O-CB 3.39Å; D249-S252 PolarHBondContact O-N 3.3Å; D249-S252 VanDerWaalsContact O-N 3.11Å; D249-S252 PolarHBondContact OD1-N 2.7Å; F250-S252 VanDerWaalsContact C-N 3.34Å; S252-M254 PolarHBondContact O-N 2.03Å; S252-M254 PolarHBondContact OG-N 2.74Å; S252-H255 WeakPolarHBondContact O-CB 3.14Å; S252-H255 PolarHBondContact O-N 2.78Å; S252-H255 VanDerWaalsContact O-N 3.11Å; S252-D293 WeakPolarHBondContact CB-OD1 3.09Å; S252-D293 PolarHBondContact OG-OD1 2.74Å
253	I	93.5	Very high	88.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	173.4	-154.2	175.4	0	0	0	111.6	G193 V196 H197 D251 H255 R286 L289 D293	G193-I253 WeakPolarHBondContact O-CD1 3.28Å; V196-I253 HydrophobicContact CB-CD1 3.61Å; V196-I253 HydrophobicContact CG1-CD1 3.38Å; H197-I253 HydrophobicContact CB-CG1 4.42Å; H197-I253 PolarHBondContact ND1-O 3.42Å; D251-I253 PolarHBondContact O-N 2.85Å; I253-H255 VanDerWaalsContact C-N 3.29Å; I253-H255 PolarHBondContact O-N 3.11Å; I253-R286 PolarHBondContact O-NH1 2.87Å; I253-L289 HydrophobicContact CG2-CD2 3.95Å; I253-D293 PolarHBondContact N-OD2 3.06Å
254	M	93.6	Very high	89.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.7	178.2	-53.6	-50.2	-63.1	0	0	113.3	H197 H201 F205 H207 E208 S252	H197-M254 WeakPolarHBondContact O-CE 3.01Å; H201-M254 WeakPolarHBondContact CE1-CE 3.06Å; H201-M254 VanDerWaalsContact ND1-CE 3.31Å; H201-M254 WeakPolarHBondContact ND1-CE 3.21Å; H201-M254 WeakPolarHBondContact NE2-CE 3.37Å; F205-M254 HydrophobicContact CB-CE 4.32Å; F205-M254 HydrophobicContact CB-CG 3.95Å; F205-M254 HydrophobicContact CD2-CG 3.86Å; F205-M254 HydrophobicContact CG-CG 4.44Å; H207-M254 WeakPolarHBondContact CA-O 3.24Å; H207-M254 WeakPolarHBondContact CB-O 2.94Å; H207-M254 PolarHBondContact CD2-O 3.49Å; E208-M254 PolarHBondContact N-O 3.48Å; E208-M254 VanDerWaalsContact N-O 3.09Å; S252-M254 PolarHBondContact O-N 2.03Å; S252-M254 PolarHBondContact OG-N 2.74Å
255	H	93.6	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-86.5	142.1	176.3	-158.8	-64.9	0	0	0	111.2	E208 Y248 S252 I253 G284 R286	E208-H255 HydrophobicContact CB-CB 4.07Å; Y248-H255 AromaticContact CE1-NE2 3.79Å; Y248-H255 AromaticContact CZ-NE2 3.81Å; Y248-H255 PolarHBondContact OH-CD2 2.93Å; Y248-H255 PolarHBondContact OH-NE2 2.96Å; S252-H255 WeakPolarHBondContact O-CB 3.14Å; S252-H255 PolarHBondContact O-N 2.78Å; S252-H255 VanDerWaalsContact O-N 3.11Å; I253-H255 VanDerWaalsContact C-N 3.29Å; I253-H255 PolarHBondContact O-N 3.11Å; H255-G284 WeakPolarHBondContact O-CA 3.26Å; H255-R286 PolarHBondContact O-NH1 3.3Å; H255-R286 PolarHBondContact O-NH2 3.36Å
256	Y	91.7	Very high	89	Confident	7 Å²	7	52.1 Å²	52.1	3%	0.027	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.1	152.6	169.4	-82.6	5.6	0	0	0	112.5	G53 H207 H209 N232 F233 T260 F261 G284	G53-Y256 WeakPolarHBondContact CA-OH 3.47Å; H207-Y256 AromaticContact CD2-CE1 3.9Å; H207-Y256 AromaticContact CE1-CE1 3.32Å; H207-Y256 WeakPolarHBondContact CE1-CE1 3.47Å; H207-Y256 AromaticContact CE1-CZ 3.52Å; H207-Y256 PolarHBondContact CE1-OH 2.94Å; H207-Y256 AromaticContact CG-CE1 3.83Å; H207-Y256 AromaticContact ND1-CE1 3.48Å; H207-Y256 WeakPolarHBondContact ND1-CE1 3.11Å; H207-Y256 AromaticContact ND1-CZ 3.56Å; H207-Y256 PolarHBondContact ND1-OH 3.46Å; H207-Y256 AromaticContact NE2-CE1 3.57Å; H209-Y256 AromaticContact CE1-CD1 3.62Å; H209-Y256 AromaticContact CE1-CD2 3.15Å; H209-Y256 WeakPolarHBondContact CE1-CD2 3.14Å; H209-Y256 AromaticContact CE1-CE1 3.85Å; H209-Y256 AromaticContact CE1-CE2 3.35Å; H209-Y256 WeakPolarHBondContact CE1-CE2 3.44Å; H209-Y256 AromaticContact CE1-CG 3.29Å; H209-Y256 AromaticContact CE1-CZ 3.71Å; H209-Y256 AromaticContact ND1-CD1 3.99Å; H209-Y256 AromaticContact ND1-CD2 3.82Å; H209-Y256 AromaticContact ND1-CG 3.58Å; H209-Y256 AromaticContact NE2-CD2 3.45Å; H209-Y256 WeakPolarHBondContact NE2-CD2 3.24Å; H209-Y256 AromaticContact NE2-CE2 3.55Å; N232-Y256 HydrophobicContact CB-CE2 4.31Å; F233-Y256 HydrophobicContact CE1-CD2 4.41Å; Y256-T260 HydrophobicContact CD2-CG2 3.73Å; Y256-T260 HydrophobicContact CE2-CG2 4.08Å; Y256-T260 HydrophobicContact CG-CG2 3.98Å; Y256-F261 HydrophobicContact CE2-CD2 4.13Å; Y256-F261 AromaticContact CE2-CE2 3.76Å; Y256-F261 HydrophobicContact CE2-CE2 3.76Å; Y256-G284 WeakPolarHBondContact O-CA 3.45Å
257	A	89.6	Confident	89	Confident	26 Å²	26	53.8 Å²	53.8	22%	0.215	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72	158.6	172.2	0	0	0	0	0	110.5	N259 T260	A257-N259 PolarHBondContact O-N 3.3Å; A257-T260 WeakPolarHBondContact CB-OG1 2.94Å; A257-T260 PolarHBondContact N-OG1 3.24Å; A257-T260 PolarHBondContact O-N 2.89Å; A257-T260 PolarHBondContact O-OG1 2.71Å
258	R	90.8	Very high	89.1	Confident	150 Å²	150	50.2 Å²	50.2	57%	0.566	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.9	-176.3	66.2	179	-172.4	176.7	-0.6	114.3	D268 T269 I270 I283	R258-D268 WeakPolarHBondContact CD-OD1 3.12Å; R258-D268 WeakPolarHBondContact CG-OD1 3.41Å; R258-D268 IonicContact NE-OD1 2.74Å; R258-D268 PolarHBondContact NE-OD1 2.01Å; R258-D268 CarbonylContact O-C 3.53Å; R258-D268 VanDerWaalsContact O-CA 3.24Å; R258-D268 WeakPolarHBondContact O-CA 3.37Å; R258-T269 PolarHBondContact O-N 3.43Å; R258-T269 PolarHBondContact O-OG1 3.35Å; R258-I270 PolarHBondContact O-N 3.36Å; R258-I270 VanDerWaalsContact O-N 3.07Å; R258-I283 HydrophobicContact CB-CD1 3.99Å; R258-I283 HydrophobicContact CB-CG1 4.12Å
259	N	87.9	Confident	89.2	Confident	66 Å²	66	49.6 Å²	49.6	35%	0.353	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	14.8	-176.1	66.2	-19.1	0	0	0	113.4	A257 F261 S262 I265	A257-N259 PolarHBondContact O-N 3.3Å; N259-F261 PolarHBondContact O-N 2.96Å; N259-S262 WeakPolarHBondContact O-CB 3.15Å; N259-S262 PolarHBondContact O-N 3.2Å; N259-S262 VanDerWaalsContact O-N 3.1Å; N259-I265 PolarHBondContact ND2-O 3.07Å
260	T	87.1	Confident	89.3	Confident	34 Å²	34	48.4 Å²	48.4	21%	0.209	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	134	176.7	-60.9	0	0	0	0	109.9	F233 Y256 A257 S262 T269	F233-T260 WeakPolarHBondContact CZ-O 3.37Å; Y256-T260 HydrophobicContact CD2-CG2 3.73Å; Y256-T260 HydrophobicContact CE2-CG2 4.08Å; Y256-T260 HydrophobicContact CG-CG2 3.98Å; A257-T260 WeakPolarHBondContact CB-OG1 2.94Å; A257-T260 PolarHBondContact N-OG1 3.24Å; A257-T260 PolarHBondContact O-N 2.89Å; A257-T260 PolarHBondContact O-OG1 2.71Å; T260-S262 PolarHBondContact O-N 3.26Å; T260-T269 WeakPolarHBondContact O-CG2 3.46Å; T260-T269 PolarHBondContact O-OG1 3.5Å
261	F	88.1	Confident	89.3	Confident	59 Å²	59	49.7 Å²	49.7	26%	0.259	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	28.2	-173.4	-56.6	-66.3	0	0	0	115.3	Q226 Q229 N232 F233 Y256 N259	Q226-F261 WeakPolarHBondContact CG-O 3.44Å; Q226-F261 PolarHBondContact N-O 3.24Å; Q229-F261 HydrophobicContact CB-CB 3.98Å; Q229-F261 HydrophobicContact CB-CD1 4.16Å; Q229-F261 HydrophobicContact CB-CG 4.12Å; Q229-F261 HydrophobicContact CG-CB 4.46Å; Q229-F261 HydrophobicContact CG-CD1 3.95Å; Q229-F261 HydrophobicContact CG-CG 4.41Å; N232-F261 HydrophobicContact CB-CD2 4.06Å; N232-F261 HydrophobicContact CB-CE2 3.94Å; F233-F261 HydrophobicContact CE2-CB 4.02Å; F233-F261 HydrophobicContact CE2-CD2 4.05Å; F233-F261 HydrophobicContact CE2-CG 4.48Å; F233-F261 HydrophobicContact CZ-CB 4.18Å; F233-F261 HydrophobicContact CZ-CD2 4.18Å; Y256-F261 HydrophobicContact CE2-CD2 4.13Å; Y256-F261 AromaticContact CE2-CE2 3.76Å; Y256-F261 HydrophobicContact CE2-CE2 3.76Å; N259-F261 PolarHBondContact O-N 2.96Å
262	S	88.5	Confident	89.3	Confident	12 Å²	12	47.6 Å²	47.6	8%	0.084	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-77	142.4	177.8	-171.7	0	0	0	0	112.9	N224 Q226 N259 T260 G264 L267	N224-S262 CarbonylContact O-C 3.28Å; N224-S262 WeakPolarHBondContact O-CA 3.31Å; Q226-S262 WeakPolarHBondContact CG-O 3.4Å; Q226-S262 PolarHBondContact NE2-O 2.79Å; N259-S262 WeakPolarHBondContact O-CB 3.15Å; N259-S262 PolarHBondContact O-N 3.2Å; N259-S262 VanDerWaalsContact O-N 3.1Å; T260-S262 PolarHBondContact O-N 3.26Å; S262-G264 PolarHBondContact O-N 3.33Å; S262-G264 PolarHBondContact OG-N 3.3Å; S262-G264 PolarHBondContact OG-O 2.82Å; S262-L267 VanDerWaalsContact CB-O 3.27Å; S262-L267 WeakPolarHBondContact CB-O 3.05Å; S262-L267 WeakPolarHBondContact OG-CB 3.32Å; S262-L267 PolarHBondContact OG-O 3.06Å
263	R	88	Confident	89.1	Confident	135 Å²	135	54.3 Å²	54.3	51%	0.509	26%	0.256	S	S	.	.	S	Bend	trans	-72.3	-10.3	173.8	69.9	-179.8	56.2	176.3	0.9	113.7	D223 N224 I225 Q226 L267	D223-R263 PolarHBondContact O-NE 3.39Å; D223-R263 PolarHBondContact O-NH1 3.34Å; D223-R263 PolarHBondContact O-NH2 3.01Å; N224-R263 WeakPolarHBondContact O-CG 3.28Å; N224-R263 PolarHBondContact O-N 2.83Å; I225-R263 PolarHBondContact O-NE 2.75Å; I225-R263 VanDerWaalsContact O-NE 3.13Å; I225-R263 PolarHBondContact O-NH2 2.7Å; Q226-R263 HydrophobicContact CG-CB 4.37Å; R263-L267 HydrophobicContact CG-CD1 3.91Å
264	G	79.5	Confident	88.7	Confident	25 Å²	25	59 Å²	59	26%	0.258	28%	0.275	S	S	.	.	S	Bend	trans	-148.4	144.2	179	0	0	0	0	0	112.3	S262 F266 L267	S262-G264 PolarHBondContact O-N 3.33Å; S262-G264 PolarHBondContact OG-N 3.3Å; S262-G264 PolarHBondContact OG-O 2.82Å; G264-F266 PolarHBondContact O-N 2.85Å; G264-F266 VanDerWaalsContact O-N 3.09Å; G264-L267 PolarHBondContact O-N 3.01Å
265	I	75.9	Confident	88.1	Confident	137 Å²	137	63.6 Å²	63.6	70%	0.703	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32	-170.8	-63.6	169.6	0	0	0	113	N259	N259-I265 PolarHBondContact ND2-O 3.07Å
266	F	83.9	Confident	87.1	Confident	193 Å²	193	66.6 Å²	66.6	85%	0.846	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	5.3	-177.4	-54.2	-71.7	0	0	0	114.2	G264	G264-F266 PolarHBondContact O-N 2.85Å; G264-F266 VanDerWaalsContact O-N 3.09Å
267	L	88.6	Confident	86.3	Confident	70 Å²	70	74 Å²	74	37%	0.366	36%	0.358	S	S	.	.			trans	-95.4	123.8	-178.8	-64.6	177.6	0	0	0	109.9	N224 S262 R263 G264	N224-L267 HydrophobicContact CB-CB 4.16Å; S262-L267 VanDerWaalsContact CB-O 3.27Å; S262-L267 WeakPolarHBondContact CB-O 3.05Å; S262-L267 WeakPolarHBondContact OG-CB 3.32Å; S262-L267 PolarHBondContact OG-O 3.06Å; R263-L267 HydrophobicContact CG-CD1 3.91Å; G264-L267 PolarHBondContact O-N 3.01Å
268	D	90.3	Very high	85.6	Confident	36 Å²	36	75.9 Å²	75.9	19%	0.193	38%	0.379	C	S	.	.			trans	-79.3	132.2	174.3	-68.6	-19	0	0	0	110	I221 N224 R258	I221-D268 WeakPolarHBondContact CD1-O 3.16Å; N224-D268 WeakPolarHBondContact CB-O 3.33Å; N224-D268 PolarHBondContact ND2-O 3.44Å; R258-D268 WeakPolarHBondContact CD-OD1 3.12Å; R258-D268 WeakPolarHBondContact CG-OD1 3.41Å; R258-D268 IonicContact NE-OD1 2.74Å; R258-D268 PolarHBondContact NE-OD1 2.01Å; R258-D268 CarbonylContact O-C 3.53Å; R258-D268 VanDerWaalsContact O-CA 3.24Å; R258-D268 WeakPolarHBondContact O-CA 3.37Å
269	T	92.5	Very high	85.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-94.1	-26.6	169.6	51	0	0	0	0	111.7	I220 I221 N224 I225 R258 T260	I220-T269 CarbonylContact C-O 3.56Å; I220-T269 WeakPolarHBondContact CA-O 3.36Å; I221-T269 PolarHBondContact N-O 3.19Å; N224-T269 HydrophobicContact CB-CG2 4.19Å; I225-T269 HydrophobicContact CG1-CG2 3.94Å; R258-T269 PolarHBondContact O-N 3.43Å; R258-T269 PolarHBondContact O-OG1 3.35Å; T260-T269 WeakPolarHBondContact O-CG2 3.46Å; T260-T269 PolarHBondContact O-OG1 3.5Å
270	I	93.5	Very high	84.9	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130	176.8	-48.3	-177.7	0	0	0	110	H209 V218 I220 F233 R258 I283	H209-I270 HydrophobicContact CB-CD1 4.04Å; V218-I270 HydrophobicContact CB-CG2 3.84Å; V218-I270 HydrophobicContact CG1-CG2 4.04Å; V218-I270 HydrophobicContact CG2-CG2 4.2Å; I220-I270 HydrophobicContact CD1-CB 4.39Å; I220-I270 HydrophobicContact CD1-CD1 4.4Å; I220-I270 HydrophobicContact CD1-CG1 3.89Å; I220-I270 HydrophobicContact CD1-CG2 4.1Å; F233-I270 HydrophobicContact CD1-CD1 4.23Å; F233-I270 HydrophobicContact CD1-CG1 4.19Å; F233-I270 HydrophobicContact CE1-CD1 3.83Å; F233-I270 HydrophobicContact CE1-CG1 3.71Å; R258-I270 PolarHBondContact O-N 3.36Å; R258-I270 VanDerWaalsContact O-N 3.07Å; I270-I283 HydrophobicContact CB-CD1 3.99Å; I270-I283 HydrophobicContact CG2-CD1 3.89Å
271	L	92	Very high	84.9	Confident	42 Å²	42	75.4 Å²	75.4	22%	0.22	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	119.4	-176.6	-164.6	72.3	0	0	0	112.2	V218 S219 I221 R280	V218-L271 CarbonylContact C-O 3.35Å; V218-L271 WeakPolarHBondContact CA-O 3.43Å; S219-L271 PolarHBondContact N-O 2.85Å; S219-L271 PolarHBondContact O-N 3.36Å; I221-L271 HydrophobicContact CD1-CB 4.25Å; I221-L271 HydrophobicContact CD1-CD2 4.43Å; L271-R280 VanDerWaalsContact CD1-CZ 3.47Å; L271-R280 VanDerWaalsContact CG-CZ 3.44Å
272	P	92.9	Very high	84.9	Confident	6 Å²	6	77.6 Å²	77.6	4%	0.039	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	135.8	175.6	-24.9	34.5	0	0	0	112.5	F250 R280 P281 I283	F250-P272 HydrophobicContact CD1-CB 4.33Å; F250-P272 HydrophobicContact CD1-CG 4.33Å; F250-P272 HydrophobicContact CE1-CB 3.87Å; F250-P272 HydrophobicContact CE1-CG 4.31Å; P272-R280 HydrophobicContact CB-CG 4.14Å; P272-R280 HydrophobicContact CG-CG 4.37Å; P272-R280 VanDerWaalsContact O-CZ 3.29Å; P272-R280 PolarHBondContact O-NE 3.13Å; P272-R280 PolarHBondContact O-NH2 2.04Å; P272-P281 HydrophobicContact CB-CG 3.86Å; P272-P281 HydrophobicContact CG-CG 4.21Å; P272-I283 HydrophobicContact CG-CG2 4.09Å
273	R	89.5	Confident	85.1	Confident	143 Å²	143	78.1 Å²	78.1	54%	0.54	40%	0.404	S	S	.	.	S	Bend	trans	-80.9	-21.6	-173.4	-78.4	-172.3	167.4	-158.6	-6.3	115	D215 H217 S219	D215-R273 VanDerWaalsContact O-CD 3.28Å; D215-R273 WeakPolarHBondContact O-CD 3.07Å; D215-R273 PolarHBondContact O-NE 3.26Å; D215-R273 PolarHBondContact O-NH1 3.45Å; H217-R273 PolarHBondContact O-N 2.67Å; S219-R273 WeakPolarHBondContact OG-CG 3.12Å; S219-R273 PolarHBondContact OG-NE 3.11Å
274	Y	85.3	Confident	85.1	Confident	98 Å²	98	72.3 Å²	72.3	38%	0.384	39%	0.386	S	S	.	.	S	Bend	trans	-145.3	158.4	-176.4	54	-99	0	0	0	111.3	E216 H217 F250 V276 P281	E216-Y274 WeakPolarHBondContact O-CE1 3.19Å; H217-Y274 PolarHBondContact CD2-OH 2.95Å; F250-Y274 HydrophobicContact CE2-CE2 4.05Å; F250-Y274 HydrophobicContact CZ-CE2 4.27Å; Y274-V276 HydrophobicContact CD2-CG2 4.17Å; Y274-V276 HydrophobicContact CE2-CG2 3.98Å; Y274-P281 WeakPolarHBondContact O-CD 3.23Å
275	D	80.2	Confident	85.7	Confident	96 Å²	96	72.6 Å²	72.6	51%	0.513	38%	0.381	S	S	.	.			trans	-82.5	142.4	175.6	-65.2	-24	0	0	0	110.5	V279 R280	D275-V279 WeakPolarHBondContact CA-O 3.37Å; D275-R280 VanDerWaalsContact OD1-CA 3.23Å; D275-R280 WeakPolarHBondContact OD1-CA 3.34Å; D275-R280 WeakPolarHBondContact OD1-CB 3.47Å; D275-R280 PolarHBondContact OD1-N 3.2Å
276	V	73.1	Confident	86.3	Confident	63 Å²	63	69.8 Å²	69.8	38%	0.382	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-109.9	117.1	172.7	-177.9	0	0	0	0	106.3	F250 Y274 G278 V279 P281	F250-V276 HydrophobicContact CE2-CG2 4.35Å; Y274-V276 HydrophobicContact CD2-CG2 4.17Å; Y274-V276 HydrophobicContact CE2-CG2 3.98Å; V276-G278 VanDerWaalsContact C-N 3.31Å; V276-G278 PolarHBondContact O-N 2.91Å; V276-V279 PolarHBondContact N-O 3.49Å; V276-V279 PolarHBondContact O-N 3.27Å; V276-V279 VanDerWaalsContact O-O 3.08Å; V276-P281 HydrophobicContact CG2-CB 4.4Å; V276-P281 HydrophobicContact CG2-CG 4.11Å
277	N	75.1	Confident	86.5	Confident	163 Å²	163	64.6 Å²	64.6	87%	0.872	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	34.7	-173.5	-52.7	-37.1	0	0	0	114.3	V279	N277-V279 VanDerWaalsContact C-N 3.28Å; N277-V279 PolarHBondContact O-N 3.18Å
278	G	74.1	Confident	86.8	Confident	65 Å²	65	67 Å²	67	67%	0.67	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	8.2	176.4	0	0	0	0	0	115.1	V276	V276-G278 VanDerWaalsContact C-N 3.31Å; V276-G278 PolarHBondContact O-N 2.91Å
279	V	81.1	Confident	87	Confident	102 Å²	102	65.8 Å²	65.8	62%	0.618	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-128.6	140.3	174	-177	0	0	0	0	109.1	D275 V276 N277	D275-V279 WeakPolarHBondContact CA-O 3.37Å; V276-V279 PolarHBondContact N-O 3.49Å; V276-V279 PolarHBondContact O-N 3.27Å; V276-V279 VanDerWaalsContact O-O 3.08Å; N277-V279 VanDerWaalsContact C-N 3.28Å; N277-V279 PolarHBondContact O-N 3.18Å
280	R	83.1	Confident	87.1	Confident	120 Å²	120	65.9 Å²	65.9	45%	0.453	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-65.3	124.5	174.5	-160.4	178.1	-153.8	148.4	16.6	109.6	L271 P272 D275	L271-R280 VanDerWaalsContact CD1-CZ 3.47Å; L271-R280 VanDerWaalsContact CG-CZ 3.44Å; P272-R280 HydrophobicContact CB-CG 4.14Å; P272-R280 HydrophobicContact CG-CG 4.37Å; P272-R280 VanDerWaalsContact O-CZ 3.29Å; P272-R280 PolarHBondContact O-NE 3.13Å; P272-R280 PolarHBondContact O-NH2 2.04Å; D275-R280 VanDerWaalsContact OD1-CA 3.23Å; D275-R280 WeakPolarHBondContact OD1-CA 3.34Å; D275-R280 WeakPolarHBondContact OD1-CB 3.47Å; D275-R280 PolarHBondContact OD1-N 3.2Å
281	P	87.4	Confident	87	Confident	18 Å²	18	75 Å²	75	12%	0.117	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-66.6	136.4	-174	25.4	-33.5	0	0	0	111.3	F250 P272 Y274 V276	F250-P281 HydrophobicContact CB-CB 3.88Å; F250-P281 HydrophobicContact CB-CG 4.28Å; F250-P281 HydrophobicContact CD1-CB 4.48Å; F250-P281 HydrophobicContact CD1-CG 3.96Å; F250-P281 HydrophobicContact CD2-CB 4.13Å; F250-P281 HydrophobicContact CD2-CG 3.87Å; F250-P281 HydrophobicContact CE1-CG 4.21Å; F250-P281 HydrophobicContact CE2-CG 4.14Å; F250-P281 HydrophobicContact CG-CB 3.92Å; F250-P281 HydrophobicContact CG-CG 3.78Å; F250-P281 HydrophobicContact CZ-CG 4.3Å; P272-P281 HydrophobicContact CB-CG 3.86Å; P272-P281 HydrophobicContact CG-CG 4.21Å; Y274-P281 WeakPolarHBondContact O-CD 3.23Å; V276-P281 HydrophobicContact CG2-CB 4.4Å; V276-P281 HydrophobicContact CG2-CG 4.11Å
282	P	88.6	Confident	87	Confident	105 Å²	105	73.8 Å²	73.8	68%	0.682	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-69.6	148.1	170.5	30.6	-33.9	0	0	0	110.4
283	I	92	Very high	87.1	Confident	24 Å²	24	73.7 Å²	73.7	12%	0.123	38%	0.38	C	S	.	.			trans	-131.4	151	179.6	57	170.3	0	0	0	111.8	F250 R258 I270 P272	F250-I283 HydrophobicContact CB-CG2 3.92Å; F250-I283 HydrophobicContact CD1-CG2 3.76Å; F250-I283 HydrophobicContact CG-CG2 4.34Å; R258-I283 HydrophobicContact CB-CD1 3.99Å; R258-I283 HydrophobicContact CB-CG1 4.12Å; I270-I283 HydrophobicContact CB-CD1 3.99Å; I270-I283 HydrophobicContact CG2-CD1 3.89Å; P272-I283 HydrophobicContact CG-CG2 4.09Å
284	G	87.6	Confident	87.3	Confident	13 Å²	13	68 Å²	68	13%	0.134	36%	0.361	C	S	.	.			trans	80.6	30.6	172.5	0	0	0	0	0	115.7	H255 Y256	H255-G284 WeakPolarHBondContact O-CA 3.26Å; Y256-G284 WeakPolarHBondContact O-CA 3.45Å
285	Q	92.1	Very high	87.7	Confident	30 Å²	30	64.8 Å²	64.8	14%	0.14	35%	0.354	C	S	.	.			trans	-61.8	152.2	173.3	68	82.6	19.6	0	0	111.9	D251 T287 R288	D251-Q285 WeakPolarHBondContact O-CG 3.13Å; D251-Q285 PolarHBondContact O-NE2 2.99Å; Q285-T287 PolarHBondContact OE1-OG1 3.46Å; Q285-R288 PolarHBondContact NE2-O 3.1Å; Q285-R288 VanDerWaalsContact OE1-N 3.1Å; Q285-R288 PolarHBondContact OE1-O 3.38Å
286	R	90.4	Very high	88.2	Confident	79 Å²	79	60.6 Å²	60.6	30%	0.298	33%	0.331	S	S	.	.			trans	-134.4	46.9	179	-66.4	-66.5	-175.9	-88.4	5.9	110.8	G193 I253 H255	G193-R286 WeakPolarHBondContact CA-O 3.22Å; I253-R286 PolarHBondContact O-NH1 2.87Å; H255-R286 PolarHBondContact O-NH1 3.3Å; H255-R286 PolarHBondContact O-NH2 3.36Å
287	T	88.3	Confident	89.2	Confident	84 Å²	84	57.6 Å²	57.6	52%	0.515	31%	0.313	S	S	.	.	S	Bend	trans	-124.7	-37.8	-172	62.1	0	0	0	0	113.9	F192 Q285	F192-T287 WeakPolarHBondContact CE1-O 3.36Å; Q285-T287 PolarHBondContact OE1-OG1 3.46Å
288	R	93.2	Very high	90	Very high	121 Å²	121	55.1 Å²	55.1	46%	0.457	29%	0.292	S	S	.	.	S	Bend	trans	-156.4	175.5	-174.6	66.1	178.3	-175.5	-80.6	-13.2	111.9	D251 Q285	D251-R288 IonicContact OD1-NH2 2.8Å; D251-R288 IonicContact OD2-CZ 3.91Å; D251-R288 IonicContact OD2-NH2 3.81Å; D251-R288 PolarHBondContact OD2-NH2 3.07Å; Q285-R288 PolarHBondContact NE2-O 3.1Å; Q285-R288 VanDerWaalsContact OE1-N 3.1Å; Q285-R288 PolarHBondContact OE1-O 3.38Å
289	L	94.5	Very high	90.9	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	28%	0.279	C	S	.	.			trans	-83.2	136.5	168.2	-67.1	169.1	0	0	0	108.9	H141 W142 V196 I253 D293 I294	H141-L289 WeakPolarHBondContact NE2-CG 3.46Å; H141-L289 PolarHBondContact NE2-N 3.28Å; W142-L289 HydrophobicContact CD2-CD1 3.69Å; W142-L289 HydrophobicContact CD2-CD2 4.04Å; W142-L289 HydrophobicContact CD2-CG 4.48Å; W142-L289 HydrophobicContact CE3-CD1 3.65Å; W142-L289 HydrophobicContact CE3-CD2 4.15Å; W142-L289 HydrophobicContact CG-CD1 4.16Å; W142-L289 HydrophobicContact CH2-CD1 4.48Å; W142-L289 HydrophobicContact CH2-CD2 3.48Å; W142-L289 VanDerWaalsContact CH2-CD2 3.48Å; W142-L289 HydrophobicContact CZ2-CD2 3.33Å; W142-L289 HydrophobicContact CZ3-CD1 4.06Å; W142-L289 HydrophobicContact CZ3-CD2 3.89Å; V196-L289 HydrophobicContact CG1-CD2 3.76Å; V196-L289 HydrophobicContact CG1-CG 4.05Å; I253-L289 HydrophobicContact CG2-CD2 3.95Å; L289-D293 HydrophobicContact CB-CB 4.33Å; L289-D293 HydrophobicContact CD2-CB 4.07Å; L289-I294 HydrophobicContact CB-CD1 4.24Å; L289-I294 HydrophobicContact CB-CG1 3.96Å
290	S	94.6	Very high	91.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	26%	0.255	C	S	.	.			trans	-77.5	170.4	173.6	72	0	0	0	0	111.2	D249 G292 D293 I294	D249-S290 WeakPolarHBondContact OD2-CB 3.33Å; D249-S290 PolarHBondContact OD2-OG 3.48Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact O-N 3.41Å; S290-G292 PolarHBondContact OG-N 3.01Å; S290-D293 PolarHBondContact N-OD2 2.89Å; S290-D293 PolarHBondContact O-N 3.21Å; S290-D293 WeakPolarHBondContact OG-CB 3.48Å; S290-D293 PolarHBondContact OG-N 3.29Å; S290-D293 PolarHBondContact OG-OD2 2.75Å; S290-I294 WeakPolarHBondContact O-CD1 3.44Å; S290-I294 VanDerWaalsContact O-CG1 3.26Å; S290-I294 WeakPolarHBondContact O-CG1 3.03Å; S290-I294 PolarHBondContact O-N 3.24Å
291	K	92.6	Very high	91.8	Very high	192 Å²	192	47.9 Å²	47.9	84%	0.835	24%	0.237	S	C	*	.	H	α-helix	trans	-63.4	-34.3	172.6	-69.7	-176.6	-179.4	177.2	0	112	A295	K291-A295 VanDerWaalsContact O-CB 3.32Å; K291-A295 WeakPolarHBondContact O-CB 2.99Å; K291-A295 PolarHBondContact O-N 3.29Å
292	G	91.6	Very high	92	Very high	17 Å²	17	56 Å²	56	18%	0.175	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-42.9	177.6	0	0	0	0	0	112.1	D249 S290 I294 A295 Q296	D249-G292 WeakPolarHBondContact OD2-CA 3.44Å; D249-G292 PolarHBondContact OD2-N 2.93Å; D249-G292 VanDerWaalsContact OD2-N 3.15Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact O-N 3.41Å; S290-G292 PolarHBondContact OG-N 3.01Å; G292-I294 VanDerWaalsContact C-N 3.3Å; G292-I294 PolarHBondContact O-N 2.81Å; G292-A295 PolarHBondContact O-N 3.29Å; G292-Q296 VanDerWaalsContact O-CB 3.26Å; G292-Q296 WeakPolarHBondContact O-CB 3.47Å; G292-Q296 PolarHBondContact O-N 3.26Å
293	D	94.6	Very high	92.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-48	175.4	-64.4	-32.7	0	0	0	110.6	F205 S252 I253 L289 S290 A297	F205-D293 HydrophobicContact CE2-CB 4.27Å; F205-D293 WeakPolarHBondContact CZ-O 3.47Å; S252-D293 WeakPolarHBondContact CB-OD1 3.09Å; S252-D293 PolarHBondContact OG-OD1 2.74Å; I253-D293 PolarHBondContact N-OD2 3.06Å; L289-D293 HydrophobicContact CB-CB 4.33Å; L289-D293 HydrophobicContact CD2-CB 4.07Å; S290-D293 PolarHBondContact N-OD2 2.89Å; S290-D293 PolarHBondContact O-N 3.21Å; S290-D293 WeakPolarHBondContact OG-CB 3.48Å; S290-D293 PolarHBondContact OG-N 3.29Å; S290-D293 PolarHBondContact OG-OD2 2.75Å; D293-A297 WeakPolarHBondContact O-CB 3.15Å; D293-A297 PolarHBondContact O-N 2.82Å
294	I	94.1	Very high	92	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-47.5	-179.5	-63.6	166	0	0	0	111.2	H145 L289 S290 G292 A297 R298	H145-I294 HydrophobicContact CB-CD1 3.77Å; H145-I294 HydrophobicContact CB-CG1 3.78Å; H145-I294 HydrophobicContact CB-CG2 4.18Å; H145-I294 WeakPolarHBondContact O-CG2 3.5Å; L289-I294 HydrophobicContact CB-CD1 4.24Å; L289-I294 HydrophobicContact CB-CG1 3.96Å; S290-I294 WeakPolarHBondContact O-CD1 3.44Å; S290-I294 VanDerWaalsContact O-CG1 3.26Å; S290-I294 WeakPolarHBondContact O-CG1 3.03Å; S290-I294 PolarHBondContact O-N 3.24Å; G292-I294 VanDerWaalsContact C-N 3.3Å; G292-I294 PolarHBondContact O-N 2.81Å; I294-A297 PolarHBondContact O-N 2.81Å; I294-R298 HydrophobicContact CG2-CG 4.48Å; I294-R298 WeakPolarHBondContact O-CB 3.38Å; I294-R298 VanDerWaalsContact O-CG 3.25Å; I294-R298 WeakPolarHBondContact O-CG 3.18Å; I294-R298 PolarHBondContact O-N 2.97Å
295	A	92.5	Very high	92	Very high	30 Å²	30	62.3 Å²	62.3	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-42.4	-178.9	0	0	0	0	0	111.7	E246 K291 G292 R298 K299	E246-A295 WeakPolarHBondContact OE1-CB 3.24Å; K291-A295 VanDerWaalsContact O-CB 3.32Å; K291-A295 WeakPolarHBondContact O-CB 2.99Å; K291-A295 PolarHBondContact O-N 3.29Å; G292-A295 PolarHBondContact O-N 3.29Å; A295-R298 PolarHBondContact O-N 2.74Å; A295-K299 WeakPolarHBondContact O-CG 3.07Å; A295-K299 PolarHBondContact O-N 2.03Å
296	Q	92.2	Very high	91.9	Very high	8 Å²	8	62 Å²	62	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-45.3	178.1	-169.8	166.1	88.3	0	0	111.8	A106 F205 S243 L244 E246 G292 R298 K299 L300	A106-Q296 HydrophobicContact CB-CG 3.98Å; F205-Q296 HydrophobicContact CE1-CB 4.44Å; F205-Q296 HydrophobicContact CE1-CG 4.05Å; F205-Q296 HydrophobicContact CZ-CB 3.88Å; F205-Q296 HydrophobicContact CZ-CG 3.98Å; S243-Q296 PolarHBondContact O-NE2 3.34Å; L244-Q296 HydrophobicContact CD1-CG 4.3Å; L244-Q296 WeakPolarHBondContact CD1-O 3.29Å; E246-Q296 HydrophobicContact CG-CB 4.05Å; G292-Q296 VanDerWaalsContact O-CB 3.26Å; G292-Q296 WeakPolarHBondContact O-CB 3.47Å; G292-Q296 PolarHBondContact O-N 3.26Å; Q296-R298 VanDerWaalsContact C-N 3.3Å; Q296-R298 PolarHBondContact O-N 3.27Å; Q296-K299 PolarHBondContact O-N 3.37Å; Q296-L300 WeakPolarHBondContact O-CB 2.99Å; Q296-L300 PolarHBondContact O-N 3.22Å
297	A	93.5	Very high	91.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-40.3	176.7	0	0	0	0	0	110.9	W142 T146 F205 D293 I294 K299 L300 Y301	W142-A297 HydrophobicContact CZ3-CB 3.99Å; T146-A297 HydrophobicContact CG2-CB 3.76Å; F205-A297 HydrophobicContact CE1-CB 4.36Å; F205-A297 HydrophobicContact CZ-CB 3.77Å; D293-A297 WeakPolarHBondContact O-CB 3.15Å; D293-A297 PolarHBondContact O-N 2.82Å; I294-A297 PolarHBondContact O-N 2.81Å; A297-K299 VanDerWaalsContact C-N 3.31Å; A297-K299 PolarHBondContact O-N 3.05Å; A297-L300 PolarHBondContact O-N 2.81Å; A297-Y301 WeakPolarHBondContact O-CD2 3.32Å; A297-Y301 PolarHBondContact O-N 3.49Å
298	R	92.4	Very high	92	Very high	111 Å²	111	59.6 Å²	59.6	42%	0.419	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.8	-75.9	174.8	177.7	-162.1	-5.8	112.8	H145 I294 A295 Q296 K302 C303	H145-R298 VanDerWaalsContact O-CZ 3.28Å; H145-R298 PolarHBondContact O-NE 2.74Å; H145-R298 PolarHBondContact O-NH2 2.8Å; I294-R298 HydrophobicContact CG2-CG 4.48Å; I294-R298 WeakPolarHBondContact O-CB 3.38Å; I294-R298 VanDerWaalsContact O-CG 3.25Å; I294-R298 WeakPolarHBondContact O-CG 3.18Å; I294-R298 PolarHBondContact O-N 2.97Å; A295-R298 PolarHBondContact O-N 2.74Å; Q296-R298 VanDerWaalsContact C-N 3.3Å; Q296-R298 PolarHBondContact O-N 3.27Å; R298-K302 PolarHBondContact O-N 3.05Å; R298-K302 VanDerWaalsContact O-N 3.15Å; R298-C303 WeakPolarHBondContact CA-SG 3.34Å; R298-C303 HydrophobicContact CB-CB 4.1Å; R298-C303 HydrophobicContact CG-CB 4.11Å; R298-C303 PolarHBondContact O-N 2.75Å
299	K	91.7	Very high	92	Very high	93 Å²	93	54.8 Å²	54.8	40%	0.404	27%	0.271	S	S	.	.	H	α-helix	trans	-70.7	-42.9	174.6	-72.1	175.1	172.5	178.9	0	111.9	L244 E246 A295 Q296 A297 Y301 K302	L244-K299 HydrophobicContact CB-CB 3.9Å; L244-K299 HydrophobicContact CB-CD 3.91Å; L244-K299 HydrophobicContact CD1-CB 3.71Å; L244-K299 HydrophobicContact CG-CB 4.44Å; L244-K299 VanDerWaalsContact O-CD 3.26Å; L244-K299 WeakPolarHBondContact O-CD 3.5Å; L244-K299 PolarHBondContact O-NZ 2.93Å; E246-K299 WeakPolarHBondContact OE1-CD 3.41Å; E246-K299 WeakPolarHBondContact OE1-CE 3.43Å; E246-K299 IonicContact OE1-NZ 3.08Å; E246-K299 PolarHBondContact OE1-NZ 3.29Å; A295-K299 WeakPolarHBondContact O-CG 3.07Å; A295-K299 PolarHBondContact O-N 2.03Å; Q296-K299 PolarHBondContact O-N 3.37Å; A297-K299 VanDerWaalsContact C-N 3.31Å; A297-K299 PolarHBondContact O-N 3.05Å; K299-Y301 VanDerWaalsContact C-N 3.33Å; K299-Y301 PolarHBondContact O-N 3.09Å; K299-K302 PolarHBondContact O-N 2.5Å
300	L	92.1	Very high	91.9	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-45.4	-178.1	-175.7	60	0	0	0	111.1	A106 V113 F205 L244 Q296 A297	A106-L300 HydrophobicContact CB-CD2 4.35Å; V113-L300 HydrophobicContact CG2-CD1 3.81Å; V113-L300 HydrophobicContact CG2-CG 4.35Å; F205-L300 HydrophobicContact CE1-CD2 4.2Å; L244-L300 VanDerWaalsContact CD1-CA 3.48Å; L244-L300 HydrophobicContact CD1-CB 3.67Å; L244-L300 HydrophobicContact CD1-CD1 4.2Å; L244-L300 VanDerWaalsContact CD1-N 3.28Å; Q296-L300 WeakPolarHBondContact O-CB 2.99Å; Q296-L300 PolarHBondContact O-N 3.22Å; A297-L300 PolarHBondContact O-N 2.81Å
301	Y	92.1	Very high	91.7	Very high	22 Å²	22	56.5 Å²	56.5	9%	0.086	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	9.3	-179.5	-70.3	-80.6	0	0	0	114.2	V113 W114 V148 I203 A297 K299 C303	V113-Y301 HydrophobicContact CG1-CD1 3.86Å; V113-Y301 HydrophobicContact CG1-CE1 3.45Å; V113-Y301 VanDerWaalsContact CG1-CE1 3.45Å; W114-Y301 HydrophobicContact CB-CE1 3.96Å; W114-Y301 PolarHBondContact N-OH 3.13Å; W114-Y301 WeakPolarHBondContact O-CE1 3.26Å; V148-Y301 HydrophobicContact CG2-CD1 4.43Å; V148-Y301 HydrophobicContact CG2-CD2 3.55Å; V148-Y301 HydrophobicContact CG2-CE2 3.79Å; V148-Y301 HydrophobicContact CG2-CG 3.91Å; I203-Y301 HydrophobicContact CG2-CE2 3.65Å; I203-Y301 PolarHBondContact O-OH 2.89Å; A297-Y301 WeakPolarHBondContact O-CD2 3.32Å; A297-Y301 PolarHBondContact O-N 3.49Å; K299-Y301 VanDerWaalsContact C-N 3.33Å; K299-Y301 PolarHBondContact O-N 3.09Å; Y301-C303 VanDerWaalsContact C-N 3.26Å; Y301-C303 PolarHBondContact O-N 3.32Å
302	K	91.6	Very high	91.5	Very high	188 Å²	188	51.4 Å²	51.4	82%	0.817	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	46.5	178	-56.8	174.9	-175.9	172.7	0	112.4	R298 K299	R298-K302 PolarHBondContact O-N 3.05Å; R298-K302 VanDerWaalsContact O-N 3.15Å; K299-K302 PolarHBondContact O-N 2.5Å
303	C	91.2	Very high	91.2	Very high	27 Å²	27	51.2 Å²	51.2	18%	0.182	26%	0.257	C	S	.	.			trans	-57.6	150.8	-179.9	-59.3	0	0	0	0	111.4	C147 R298 Y301	C147-C303 HydrophobicContact CB-CB 3.71Å; C147-C303 WeakPolarHBondContact CB-SG 3.28Å; C147-C303 PolarHBondContact N-SG 2.83Å; C147-C303 WeakPolarHBondContact SG-CA 3.4Å; C147-C303 WeakPolarHBondContact SG-CB 2.97Å; C147-C303 CovalentContact SG-SG 2.01Å; C147-C303 PolarHBondContact SG-SG 3.17Å; R298-C303 WeakPolarHBondContact CA-SG 3.34Å; R298-C303 HydrophobicContact CB-CB 4.1Å; R298-C303 HydrophobicContact CG-CB 4.11Å; R298-C303 PolarHBondContact O-N 2.75Å; Y301-C303 VanDerWaalsContact C-N 3.26Å; Y301-C303 PolarHBondContact O-N 3.32Å
304	S	89.9	Confident	91.1	Very high	33 Å²	33	54.2 Å²	54.2	23%	0.231	28%	0.279	C	S	.	.			trans	-58.2	146.5	173.9	178.6	0	0	0	0	110.9	C306 H331	S304-C306 PolarHBondContact O-N 2.82Å; S304-C306 PolarHBondContact OG-N 3.01Å; S304-C306 PolarHBondContact OG-O 2.82Å; S304-H331 PolarHBondContact OG-O 2.97Å
305	K	87.4	Confident	91	Very high	214 Å²	214	54.2 Å²	54.2	93%	0.93	29%	0.285	S	S	*	.	S	Bend	trans	-68.7	-19.6	179.6	-65.5	-175.6	179.8	179.7	0	112.8
306	C	90.3	Very high	91.2	Very high	25 Å²	25	58.8 Å²	58.8	17%	0.169	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-144.5	162.9	-179	51.6	0	0	0	0	111.7	S304 P320 H331 C332 I333	S304-C306 PolarHBondContact O-N 2.82Å; S304-C306 PolarHBondContact OG-N 3.01Å; S304-C306 PolarHBondContact OG-O 2.82Å; C306-P320 HydrophobicContact CB-CG 4.02Å; C306-H331 PolarHBondContact SG-O 3.36Å; C306-C332 HydrophobicContact CB-CB 3.93Å; C306-C332 WeakPolarHBondContact CB-SG 3.39Å; C306-C332 VanDerWaalsContact O-CA 3.28Å; C306-C332 WeakPolarHBondContact O-CA 3.45Å; C306-C332 WeakPolarHBondContact SG-CA 3.25Å; C306-C332 WeakPolarHBondContact SG-CB 3.33Å; C306-C332 CovalentContact SG-SG 2.03Å; C306-C332 PolarHBondContact SG-SG 2.95Å; C306-I333 PolarHBondContact O-N 3.38Å; C306-I333 VanDerWaalsContact O-N 3.1Å
307	G	89.9	Confident	91.3	Very high	23 Å²	23	59 Å²	59	24%	0.237	31%	0.306	C	S	.	.			trans	90.6	166.2	-169.2	0	0	0	0	0	111.8	I333	G307-I333 CarbonylContact C-O 3.56Å; G307-I333 WeakPolarHBondContact CA-O 3.14Å
308	D	90.4	Very high	91.5	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	32%	0.322	S	S	.	.			trans	-141.3	158.4	-168.2	-71.9	-55.8	0	0	0	112.3	L310 I333 W334 R335	D308-L310 HydrophobicContact CB-CD2 4.07Å; D308-I333 PolarHBondContact N-O 2.62Å; D308-W334 VanDerWaalsContact O-CA 3.26Å; D308-W334 WeakPolarHBondContact O-CA 3.43Å; D308-R335 PolarHBondContact O-N 2.83Å
309	S	92.3	Very high	91.5	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.6	167.1	-65.2	0	0	0	0	108.9	E143 T146 R335	E143-S309 WeakPolarHBondContact O-CB 3.08Å; E143-S309 PolarHBondContact O-OG 2.83Å; T146-S309 PolarHBondContact O-OG 3.26Å; S309-R335 CarbonylContact C-O 3.6Å; S309-R335 WeakPolarHBondContact CA-O 3.24Å
310	L	93.3	Very high	91.6	Very high	30 Å²	30	53.8 Å²	53.8	16%	0.157	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.4	-175.9	-56	174.8	0	0	0	108.9	D308 F317 R335 I336 S337 Y415	D308-L310 HydrophobicContact CB-CD2 4.07Å; L310-F317 HydrophobicContact CD1-CB 3.99Å; L310-F317 HydrophobicContact CD1-CD1 3.6Å; L310-F317 HydrophobicContact CD1-CE1 4.26Å; L310-F317 HydrophobicContact CD1-CG 3.84Å; L310-R335 PolarHBondContact N-O 3.16Å; L310-I336 HydrophobicContact CB-CG1 4.28Å; L310-I336 HydrophobicContact CD1-CG1 4.16Å; L310-I336 WeakPolarHBondContact O-CA 3.35Å; L310-S337 PolarHBondContact O-N 3.14Å; L310-Y415 HydrophobicContact CB-CE1 3.87Å; L310-Y415 HydrophobicContact CD1-CD1 4.26Å; L310-Y415 HydrophobicContact CD1-CE1 3.8Å; L310-Y415 HydrophobicContact CG-CE1 4.36Å
311	Q	90.6	Very high	91.5	Very high	17 Å²	17	55 Å²	55	8%	0.079	31%	0.314	C	S	.	.			trans	-115.7	-6.5	-174.5	-72.6	-176.2	-13.7	0	0	114.3	R140 E143 S337	R140-Q311 PolarHBondContact NH2-O 3.02Å; R140-Q311 PolarHBondContact O-NE2 3.35Å; R140-Q311 PolarHBondContact O-OE1 2.92Å; E143-Q311 VanDerWaalsContact CB-NE2 3.27Å; E143-Q311 PolarHBondContact OE2-NE2 3.17Å; Q311-S337 WeakPolarHBondContact CA-O 3.42Å
312	D	87.9	Confident	91.6	Very high	85 Å²	85	56.6 Å²	56.6	46%	0.455	32%	0.322	S	S	.	.	S	Bend	trans	-72.5	151.7	178.2	-65.7	-49.6	0	0	0	110.3	S314 Y415	D312-S314 PolarHBondContact O-N 2.85Å; D312-S314 VanDerWaalsContact O-N 3.11Å; D312-Y415 PolarHBondContact N-OH 2.88Å; D312-Y415 WeakPolarHBondContact O-CE2 3.45Å; D312-Y415 PolarHBondContact O-OH 3.18Å
313	S	85.9	Confident	91.6	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.091	31%	0.307	C	S	.	.	S	Bend	trans	-61.5	-16.1	177.9	59.9	0	0	0	0	114.6	A417	S313-A417 WeakPolarHBondContact O-CB 2.81Å; S313-A417 PolarHBondContact O-N 3Å
314	S	91.4	Very high	91.6	Very high	66 Å²	66	57.5 Å²	57.5	46%	0.462	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	155.7	169.5	57.6	0	0	0	0	109	D312 Y415	D312-S314 PolarHBondContact O-N 2.85Å; D312-S314 VanDerWaalsContact O-N 3.11Å; S314-Y415 VanDerWaalsContact CA-O 3.23Å; S314-Y415 WeakPolarHBondContact CA-O 3.23Å; S314-Y415 WeakPolarHBondContact CB-O 3.43Å
315	G	93.3	Very high	91.5	Very high	25 Å²	25	56.8 Å²	56.8	26%	0.258	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	167.9	178.6	0	0	0	0	0	112.5	V414 Y415	G315-V414 CarbonylContact O-C 3.57Å; G315-V414 WeakPolarHBondContact O-CA 3.39Å; G315-V414 WeakPolarHBondContact O-CG2 3.15Å; G315-Y415 PolarHBondContact N-O 2.01Å; G315-Y415 VanDerWaalsContact O-CD1 3.25Å; G315-Y415 WeakPolarHBondContact O-CD1 3.44Å; G315-Y415 PolarHBondContact O-N 3.34Å
316	N	95.2	Very high	91.7	Very high	127 Å²	127	46.9 Å²	46.9	68%	0.679	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.8	172.1	61.4	6.5	0	0	0	110.2	A413	N316-A413 CarbonylContact C-O 3.55Å; N316-A413 VanDerWaalsContact CA-O 3.29Å; N316-A413 WeakPolarHBondContact CA-O 3.04Å
317	F	95.8	Very high	91.7	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.057	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151.9	173.7	68.1	-79	0	0	0	110	L310 W334 I336 L346 I398 F411 A413 Y415	L310-F317 HydrophobicContact CD1-CB 3.99Å; L310-F317 HydrophobicContact CD1-CD1 3.6Å; L310-F317 HydrophobicContact CD1-CE1 4.26Å; L310-F317 HydrophobicContact CD1-CG 3.84Å; F317-W334 HydrophobicContact CD2-CB 4.47Å; F317-W334 AromaticContact CD2-CD1 3.65Å; F317-W334 AromaticContact CD2-CD2 3.74Å; F317-W334 HydrophobicContact CD2-CD2 3.74Å; F317-W334 AromaticContact CD2-CE2 3.71Å; F317-W334 HydrophobicContact CD2-CE3 4.45Å; F317-W334 AromaticContact CD2-CG 3.72Å; F317-W334 HydrophobicContact CD2-CG 3.72Å; F317-W334 HydrophobicContact CD2-CZ2 4.38Å; F317-W334 AromaticContact CD2-NE1 3.63Å; F317-W334 HydrophobicContact CE2-CB 4.33Å; F317-W334 AromaticContact CE2-CD2 3.97Å; F317-W334 HydrophobicContact CE2-CD2 3.97Å; F317-W334 HydrophobicContact CE2-CE3 4.32Å; F317-W334 AromaticContact CE2-CG 3.96Å; F317-W334 HydrophobicContact CE2-CG 3.96Å; F317-W334 HydrophobicContact CG-CG 4.45Å; F317-I336 HydrophobicContact CE1-CD1 4.1Å; F317-L346 HydrophobicContact CE1-CD1 3.7Å; F317-L346 HydrophobicContact CZ-CD1 3.9Å; F317-I398 HydrophobicContact CE1-CD1 4.34Å; F317-I398 HydrophobicContact CE2-CD1 4.28Å; F317-I398 HydrophobicContact CE2-CG2 4.47Å; F317-I398 HydrophobicContact CZ-CD1 3.56Å; F317-F411 HydrophobicContact CD2-CE2 4.04Å; F317-F411 AromaticContact CE2-CE2 3.68Å; F317-F411 HydrophobicContact CE2-CE2 3.68Å; F317-F411 HydrophobicContact CE2-CZ 4.23Å; F317-A413 HydrophobicContact CD1-CB 4.47Å; F317-A413 HydrophobicContact CE1-CB 3.89Å; F317-A413 HydrophobicContact CE2-CB 4.47Å; F317-A413 HydrophobicContact CZ-CB 3.87Å; F317-A413 PolarHBondContact N-O 3.33Å; F317-A413 PolarHBondContact O-N 3.35Å; F317-Y415 HydrophobicContact CD1-CD1 4.3Å; F317-Y415 HydrophobicContact CE1-CD1 4.41Å
318	S	96.1	Very high	91.5	Very high	49 Å²	49	50.1 Å²	50.1	34%	0.343	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.2	-176.9	59.7	0	0	0	0	111.3	W334 F411	S318-W334 WeakPolarHBondContact O-CZ2 3.34Å; S318-F411 CarbonylContact C-O 3.55Å; S318-F411 WeakPolarHBondContact CA-O 3.24Å; S318-F411 VanDerWaalsContact CB-O 3.26Å; S318-F411 WeakPolarHBondContact CB-O 3.27Å
319	S	94.4	Very high	91.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.321	C	S	.	.			trans	-57.9	141.9	168.7	54.9	0	0	0	0	110.1	G321 F322 G410 F411	S319-G321 PolarHBondContact O-N 3.13Å; S319-F322 WeakPolarHBondContact O-CB 3.5Å; S319-F322 PolarHBondContact O-N 2.64Å; S319-F322 VanDerWaalsContact O-N 3.08Å; S319-G410 WeakPolarHBondContact OG-CA 3.38Å; S319-F411 PolarHBondContact N-O 3.18Å; S319-F411 PolarHBondContact OG-N 3.21Å; S319-F411 PolarHBondContact OG-O 3.06Å
320	P	93.4	Very high	91.3	Very high	44 Å²	44	53.7 Å²	53.7	29%	0.286	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.7	177.6	-28.1	38	0	0	0	112	C306 F322 Y326 M330	C306-P320 HydrophobicContact CB-CG 4.02Å; P320-F322 VanDerWaalsContact C-N 3.3Å; P320-Y326 WeakPolarHBondContact O-CA 3.44Å; P320-M330 HydrophobicContact CB-CE 3.47Å; P320-M330 VanDerWaalsContact CB-CE 3.47Å; P320-M330 HydrophobicContact CB-SD 4.43Å; P320-M330 HydrophobicContact CG-CE 3.38Å
321	G	90.4	Very high	91.3	Very high	46 Å²	46	56 Å²	56	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-7.5	-176.7	0	0	0	0	0	114.9	S319 N324 G325	S319-G321 PolarHBondContact O-N 3.13Å; G321-N324 CarbonylContact O-C 3.6Å; G321-N324 VanDerWaalsContact O-CA 3.31Å; G321-N324 WeakPolarHBondContact O-CA 3.46Å; G321-N324 WeakPolarHBondContact O-CB 3.42Å; G321-N324 PolarHBondContact O-N 3Å; G321-G325 CarbonylContact C-O 3.56Å; G321-G325 WeakPolarHBondContact CA-O 2.94Å; G321-G325 PolarHBondContact O-N 3.5Å; G321-G325 VanDerWaalsContact O-N 3.14Å
322	F	92.2	Very high	91.5	Very high	55 Å²	55	55.2 Å²	55.2	24%	0.241	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136.5	172.8	-176.4	-91.2	0	0	0	111.4	S319 P320 K409	S319-F322 WeakPolarHBondContact O-CB 3.5Å; S319-F322 PolarHBondContact O-N 2.64Å; S319-F322 VanDerWaalsContact O-N 3.08Å; P320-F322 VanDerWaalsContact C-N 3.3Å; F322-K409 WeakPolarHBondContact CD2-O 3.38Å
323	P	92.9	Very high	91.8	Very high	77 Å²	77	52 Å²	52	50%	0.5	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.4	3.7	3.7	36.6	-36.9	0	0	0	114.9	G325	P323-G325 VanDerWaalsContact C-N 3.26Å; P323-G325 PolarHBondContact O-N 2.79Å
324	N	91.1	Very high	92.2	Very high	157 Å²	157	51.8 Å²	51.8	84%	0.84	31%	0.307	S	S	*	.	S	Bend	trans	-78.9	-5.3	-174.1	-59.3	-37.8	0	0	0	114	G321	G321-N324 CarbonylContact O-C 3.6Å; G321-N324 VanDerWaalsContact O-CA 3.31Å; G321-N324 WeakPolarHBondContact O-CA 3.46Å; G321-N324 WeakPolarHBondContact O-CB 3.42Å; G321-N324 PolarHBondContact O-N 3Å
325	G	88.3	Confident	92.4	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	29%	0.293	C	S	.	.			trans	108.2	148.6	179.2	0	0	0	0	0	113.7	G321 P323 G408	G321-G325 CarbonylContact C-O 3.56Å; G321-G325 WeakPolarHBondContact CA-O 2.94Å; G321-G325 PolarHBondContact O-N 3.5Å; G321-G325 VanDerWaalsContact O-N 3.14Å; P323-G325 VanDerWaalsContact C-N 3.26Å; P323-G325 PolarHBondContact O-N 2.79Å; G325-G408 WeakPolarHBondContact CA-O 3.45Å
326	Y	90.4	Very high	92.5	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.02	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-91.3	160.5	178.9	60.5	-88.7	0	0	0	111.5	P320 L353 Y354 D362 F400 S402 V407 G408 G410	P320-Y326 WeakPolarHBondContact O-CA 3.44Å; Y326-L353 HydrophobicContact CD1-CD2 4.21Å; Y326-L353 HydrophobicContact CE1-CD2 3.58Å; Y326-Y354 PolarHBondContact OH-N 2.9Å; Y326-D362 WeakPolarHBondContact CE2-OD2 3.33Å; Y326-D362 VanDerWaalsContact CZ-OD2 3.29Å; Y326-D362 PolarHBondContact OH-OD2 2.71Å; Y326-F400 HydrophobicContact CD1-CZ 4.03Å; Y326-F400 HydrophobicContact CD2-CE1 4.01Å; Y326-F400 AromaticContact CD2-CZ 3.65Å; Y326-F400 HydrophobicContact CD2-CZ 3.65Å; Y326-F400 HydrophobicContact CE1-CZ 4.21Å; Y326-F400 AromaticContact CE2-CZ 3.86Å; Y326-F400 HydrophobicContact CE2-CZ 3.86Å; Y326-F400 AromaticContact CG-CE1 4Å; Y326-F400 HydrophobicContact CG-CE1 4Å; Y326-F400 AromaticContact CG-CZ 3.74Å; Y326-F400 HydrophobicContact CG-CZ 3.74Å; Y326-S402 WeakPolarHBondContact CE2-OG 3.2Å; Y326-V407 HydrophobicContact CD2-CB 4.24Å; Y326-V407 HydrophobicContact CD2-CG1 4.06Å; Y326-V407 HydrophobicContact CE2-CB 4.01Å; Y326-V407 HydrophobicContact CE2-CG1 3.86Å; Y326-V407 WeakPolarHBondContact O-CB 3.37Å; Y326-V407 WeakPolarHBondContact O-CG1 3.49Å; Y326-V407 WeakPolarHBondContact O-CG2 3.46Å; Y326-G408 VanDerWaalsContact CD1-O 3.24Å; Y326-G408 WeakPolarHBondContact CD1-O 3.29Å; Y326-G408 VanDerWaalsContact CE1-N 3.31Å; Y326-G408 WeakPolarHBondContact CE1-O 3.4Å; Y326-G408 PolarHBondContact N-O 3.41Å; Y326-G408 PolarHBondContact OH-N 3.19Å; Y326-G410 VanDerWaalsContact CD1-CA 3.49Å
327	S	89.7	Confident	92.3	Very high	80 Å²	80	44.3 Å²	44.3	56%	0.559	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-82.6	149.9	176.7	-54.5	0	0	0	0	112.1	M330	S327-M330 PolarHBondContact N-SD 3.16Å; S327-M330 WeakPolarHBondContact O-CG 3.02Å
328	A	87.5	Confident	92	Very high	37 Å²	37	43.9 Å²	43.9	31%	0.306	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	151.6	171.6	0	0	0	0	0	111.5	M330 S404 V407	A328-M330 PolarHBondContact O-N 2.93Å; A328-S404 WeakPolarHBondContact CB-O 3.13Å; A328-V407 HydrophobicContact CB-CG1 4.31Å
329	Y	88.2	Confident	91.4	Very high	154 Å²	154	41.6 Å²	41.6	60%	0.604	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	24.8	177.6	-52.2	-73.5	0	0	0	114.9	S402 S403 N405	Y329-S402 CarbonylContact C-O 3.53Å; Y329-S402 WeakPolarHBondContact CA-O 3.18Å; Y329-S403 VanDerWaalsContact CE1-O 3.28Å; Y329-S403 WeakPolarHBondContact CE1-O 2.97Å; Y329-N405 WeakPolarHBondContact CE2-OD1 3.48Å; Y329-N405 PolarHBondContact OH-OD1 2.87Å
330	M	89.7	Confident	90.8	Very high	29 Å²	29	43.4 Å²	43.4	14%	0.143	25%	0.248	C	C	.	.			trans	-75.8	146.3	175.6	-77.7	-172.2	72	0	0	112.5	P320 S327 A328 C332 R401 S402	P320-M330 HydrophobicContact CB-CE 3.47Å; P320-M330 VanDerWaalsContact CB-CE 3.47Å; P320-M330 HydrophobicContact CB-SD 4.43Å; P320-M330 HydrophobicContact CG-CE 3.38Å; S327-M330 PolarHBondContact N-SD 3.16Å; S327-M330 WeakPolarHBondContact O-CG 3.02Å; A328-M330 PolarHBondContact O-N 2.93Å; M330-C332 VanDerWaalsContact CE-SG 3.5Å; M330-R401 WeakPolarHBondContact O-CA 3.24Å; M330-S402 PolarHBondContact O-N 2.74Å
331	H	92.8	Very high	89.8	Confident	78 Å²	78	42.1 Å²	42.1	36%	0.361	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	106.4	173.5	179.5	-140.3	0	0	0	108.2	S304 C306 E399 F400	S304-H331 PolarHBondContact OG-O 2.97Å; C306-H331 PolarHBondContact SG-O 3.36Å; H331-E399 IonicContact CD2-OE1 3.78Å; H331-E399 IonicContact CE1-OE1 3.58Å; H331-E399 IonicContact NE2-OE1 2.83Å; H331-E399 PolarHBondContact NE2-OE1 3.36Å; H331-F400 WeakPolarHBondContact CA-O 3.38Å
332	C	94	Very high	89.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.5	-179.9	-52.5	0	0	0	0	110.2	C306 M330 W334 F400	C306-C332 HydrophobicContact CB-CB 3.93Å; C306-C332 WeakPolarHBondContact CB-SG 3.39Å; C306-C332 VanDerWaalsContact O-CA 3.28Å; C306-C332 WeakPolarHBondContact O-CA 3.45Å; C306-C332 WeakPolarHBondContact SG-CA 3.25Å; C306-C332 WeakPolarHBondContact SG-CB 3.33Å; C306-C332 CovalentContact SG-SG 2.03Å; C306-C332 PolarHBondContact SG-SG 2.95Å; M330-C332 VanDerWaalsContact CE-SG 3.5Å; C332-W334 HydrophobicContact CB-CE3 4.24Å; C332-W334 HydrophobicContact CB-CH2 3.37Å; C332-W334 HydrophobicContact CB-CZ2 4.13Å; C332-W334 HydrophobicContact CB-CZ3 3.44Å; C332-W334 VanDerWaalsContact CB-CZ3 3.44Å; C332-F400 HydrophobicContact CB-CB 4.42Å; C332-F400 PolarHBondContact N-O 3.1Å; C332-F400 PolarHBondContact O-N 3.45Å
333	I	95	Very high	89.4	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.097	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.4	179.3	-62.5	172.7	0	0	0	108.8	C306 G307 D308 R335 W397 I398	C306-I333 PolarHBondContact O-N 3.38Å; C306-I333 VanDerWaalsContact O-N 3.1Å; G307-I333 CarbonylContact C-O 3.56Å; G307-I333 WeakPolarHBondContact CA-O 3.14Å; D308-I333 PolarHBondContact N-O 2.62Å; I333-R335 HydrophobicContact CG2-CG 4.41Å; I333-W397 HydrophobicContact CD1-CZ2 3.91Å; I333-W397 HydrophobicContact CG1-CZ2 4.14Å; I333-W397 HydrophobicContact CG2-CZ2 4.11Å; I333-W397 VanDerWaalsContact CG2-NE1 3.33Å; I333-I398 CarbonylContact C-O 3.54Å; I333-I398 WeakPolarHBondContact CA-O 3.45Å
334	W	95.4	Very high	89.4	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140.7	167.6	-63.6	-98.2	0	0	0	110.3	D308 F317 S318 C332 I398 F400 F411	D308-W334 VanDerWaalsContact O-CA 3.26Å; D308-W334 WeakPolarHBondContact O-CA 3.43Å; F317-W334 HydrophobicContact CD2-CB 4.47Å; F317-W334 AromaticContact CD2-CD1 3.65Å; F317-W334 AromaticContact CD2-CD2 3.74Å; F317-W334 HydrophobicContact CD2-CD2 3.74Å; F317-W334 AromaticContact CD2-CE2 3.71Å; F317-W334 HydrophobicContact CD2-CE3 4.45Å; F317-W334 AromaticContact CD2-CG 3.72Å; F317-W334 HydrophobicContact CD2-CG 3.72Å; F317-W334 HydrophobicContact CD2-CZ2 4.38Å; F317-W334 AromaticContact CD2-NE1 3.63Å; F317-W334 HydrophobicContact CE2-CB 4.33Å; F317-W334 AromaticContact CE2-CD2 3.97Å; F317-W334 HydrophobicContact CE2-CD2 3.97Å; F317-W334 HydrophobicContact CE2-CE3 4.32Å; F317-W334 AromaticContact CE2-CG 3.96Å; F317-W334 HydrophobicContact CE2-CG 3.96Å; F317-W334 HydrophobicContact CG-CG 4.45Å; S318-W334 WeakPolarHBondContact O-CZ2 3.34Å; C332-W334 HydrophobicContact CB-CE3 4.24Å; C332-W334 HydrophobicContact CB-CH2 3.37Å; C332-W334 HydrophobicContact CB-CZ2 4.13Å; C332-W334 HydrophobicContact CB-CZ3 3.44Å; C332-W334 VanDerWaalsContact CB-CZ3 3.44Å; W334-I398 HydrophobicContact CB-CB 4.28Å; W334-I398 HydrophobicContact CE3-CG2 4.46Å; W334-I398 PolarHBondContact N-O 3.49Å; W334-I398 PolarHBondContact O-N 2.73Å; W334-F400 HydrophobicContact CH2-CB 4.19Å; W334-F400 HydrophobicContact CZ3-CB 3.59Å; W334-F411 HydrophobicContact CE3-CZ 4.38Å; W334-F411 HydrophobicContact CH2-CE1 4.32Å; W334-F411 AromaticContact CH2-CZ 3.8Å; W334-F411 HydrophobicContact CH2-CZ 3.8Å; W334-F411 HydrophobicContact CZ2-CZ 4.49Å; W334-F411 HydrophobicContact CZ3-CE1 4.35Å; W334-F411 AromaticContact CZ3-CZ 3.74Å; W334-F411 HydrophobicContact CZ3-CZ 3.74Å
335	R	94.5	Very high	89.5	Confident	46 Å²	46	31.6 Å²	31.6	17%	0.174	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.5	174.6	-63.7	176	-175.7	75.1	5.4	107.5	D308 S309 L310 I333	D308-R335 PolarHBondContact O-N 2.83Å; S309-R335 CarbonylContact C-O 3.6Å; S309-R335 WeakPolarHBondContact CA-O 3.24Å; L310-R335 PolarHBondContact N-O 3.16Å; I333-R335 HydrophobicContact CG2-CG 4.41Å
336	I	94.8	Very high	89.9	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.7	172.7	-53.8	174	0	0	0	106.9	L310 F317 V338 I344 L346 R395 L396 I398 Y415	L310-I336 HydrophobicContact CB-CG1 4.28Å; L310-I336 HydrophobicContact CD1-CG1 4.16Å; L310-I336 WeakPolarHBondContact O-CA 3.35Å; F317-I336 HydrophobicContact CE1-CD1 4.1Å; I336-V338 HydrophobicContact CG2-CG1 4.18Å; I336-I344 HydrophobicContact CB-CD1 4.02Å; I336-I344 HydrophobicContact CD1-CG2 4.42Å; I336-I344 HydrophobicContact CG2-CD1 3.61Å; I336-I344 HydrophobicContact CG2-CG1 4.1Å; I336-I344 HydrophobicContact CG2-CG2 4.11Å; I336-L346 HydrophobicContact CD1-CD1 4.3Å; I336-R395 CarbonylContact O-C 3.45Å; I336-R395 VanDerWaalsContact O-CA 3.29Å; I336-R395 WeakPolarHBondContact O-CA 3.44Å; I336-L396 HydrophobicContact CB-CB 4.3Å; I336-L396 PolarHBondContact N-O 3.32Å; I336-L396 PolarHBondContact O-N 2.83Å; I336-I398 HydrophobicContact CD1-CD1 3.68Å; I336-I398 HydrophobicContact CG1-CD1 4.29Å; I336-Y415 HydrophobicContact CD1-CD1 3.99Å; I336-Y415 HydrophobicContact CD1-CD2 4.31Å; I336-Y415 HydrophobicContact CD1-CG 3.79Å; I336-Y415 HydrophobicContact CG2-CD2 3.6Å; I336-Y415 HydrophobicContact CG2-CE2 3.59Å; I336-Y415 HydrophobicContact CG2-CG 4.16Å
337	S	91.8	Very high	90.1	Very high	14 Å²	14	33.6 Å²	33.6	10%	0.098	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	103.3	178.4	-173.9	0	0	0	0	109.4	L310 Q311 R395	L310-S337 PolarHBondContact O-N 3.14Å; Q311-S337 WeakPolarHBondContact CA-O 3.42Å; S337-R395 PolarHBondContact OG-NE 2.77Å
338	V	88.9	Confident	90.5	Very high	4 Å²	4	30 Å²	30	2%	0.024	15%	0.151	C	C	.	.			trans	-98.1	-178	178.2	-58.6	0	0	0	0	110.1	I336 E342 I344 S394 Y415 A417	I336-V338 HydrophobicContact CG2-CG1 4.18Å; V338-E342 HydrophobicContact CG2-CB 3.82Å; V338-I344 HydrophobicContact CB-CG1 4.39Å; V338-I344 HydrophobicContact CG1-CD1 4.33Å; V338-I344 HydrophobicContact CG1-CG1 3.87Å; V338-I344 HydrophobicContact CG2-CD1 4.07Å; V338-I344 HydrophobicContact CG2-CG1 3.59Å; V338-S394 WeakPolarHBondContact CG2-O 3.26Å; V338-S394 PolarHBondContact N-O 2.83Å; V338-Y415 HydrophobicContact CG1-CE2 4.39Å; V338-A417 HydrophobicContact CB-CB 3.94Å; V338-A417 HydrophobicContact CG1-CB 3.72Å; V338-A417 HydrophobicContact CG2-CB 4.3Å
339	T	84.4	Confident	90.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.16	C	C	.	.			trans	-69.8	137.4	-175.6	-68.9	0	0	0	0	111	R140 G341 E342 S394 Q431 S432 N434 Y435	R140-T339 PolarHBondContact NH1-OG1 2.75Å; T339-G341 PolarHBondContact O-N 2.86Å; T339-E342 WeakPolarHBondContact CB-OE2 3.38Å; T339-E342 PolarHBondContact N-OE2 3Å; T339-E342 VanDerWaalsContact N-OE2 3.08Å; T339-E342 VanDerWaalsContact O-CB 3.3Å; T339-E342 WeakPolarHBondContact O-CB 3.19Å; T339-E342 PolarHBondContact O-N 2.74Å; T339-S394 WeakPolarHBondContact O-CB 3.22Å; T339-Q431 HydrophobicContact CG2-CB 3.79Å; T339-S432 WeakPolarHBondContact CG2-O 3.43Å; T339-N434 VanDerWaalsContact OG1-C 3.27Å; T339-N434 WeakPolarHBondContact OG1-CA 3.47Å; T339-N434 PolarHBondContact OG1-N 3.24Å; T339-Y435 PolarHBondContact OG1-N 3.41Å; T339-Y435 PolarHBondContact OG1-O 3.3Å; T339-Y435 VanDerWaalsContact OG1-O 3.1Å
340	P	81.1	Confident	91.2	Very high	38 Å²	38	26.6 Å²	26.6	25%	0.247	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	128.4	176.2	-30.9	34	0	0	0	113.9	Q431	P340-Q431 HydrophobicContact CB-CG 4.31Å; P340-Q431 PolarHBondContact O-N 3.09Å
341	G	73.1	Confident	91.5	Very high	17 Å²	17	25.6 Å²	25.6	18%	0.175	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-7.3	-174.9	0	0	0	0	0	114.5	T339 W447	T339-G341 PolarHBondContact O-N 2.86Å; G341-W447 PolarHBondContact O-NE1 2.01Å
342	E	84.4	Confident	91.6	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.033	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	157.7	165.1	-58.7	-176	130.9	0	0	111.3	V338 T339 D393 S394 I418 C419 P433	V338-E342 HydrophobicContact CG2-CB 3.82Å; T339-E342 WeakPolarHBondContact CB-OE2 3.38Å; T339-E342 PolarHBondContact N-OE2 3Å; T339-E342 VanDerWaalsContact N-OE2 3.08Å; T339-E342 VanDerWaalsContact O-CB 3.3Å; T339-E342 WeakPolarHBondContact O-CB 3.19Å; T339-E342 PolarHBondContact O-N 2.74Å; E342-D393 CarbonylContact O-C 3.58Å; E342-S394 VanDerWaalsContact O-CA 3.29Å; E342-S394 WeakPolarHBondContact O-CA 3.48Å; E342-S394 PolarHBondContact O-N 2.8Å; E342-I418 CarbonylContact C-O 3.46Å; E342-I418 VanDerWaalsContact CA-O 3.3Å; E342-I418 WeakPolarHBondContact CA-O 3.06Å; E342-I418 WeakPolarHBondContact CB-O 3.37Å; E342-C419 HydrophobicContact CG-CB 4.16Å; E342-P433 WeakPolarHBondContact OE1-CA 3.22Å; E342-P433 VanDerWaalsContact OE1-CB 3.3Å; E342-P433 WeakPolarHBondContact OE1-CB 3.4Å
343	K	88.8	Confident	91.6	Very high	57 Å²	57	24.7 Å²	24.7	25%	0.248	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	158.3	169	-62.8	175.7	-176.9	173.7	0	109.1	I390 A417 I418	K343-I390 HydrophobicContact CB-CG2 4.49Å; K343-A417 CarbonylContact O-C 3.54Å; K343-A417 WeakPolarHBondContact O-CA 3.21Å; K343-I418 HydrophobicContact CB-CD1 4.25Å; K343-I418 HydrophobicContact CB-CG1 3.92Å; K343-I418 PolarHBondContact N-O 2.88Å; K343-I418 WeakPolarHBondContact O-CG1 3.35Å; K343-I418 PolarHBondContact O-N 2.78Å
344	I	92.6	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.9	-178.9	-58.4	156.9	0	0	0	107.4	I336 V338 I390 S391 L396 Y415	I336-I344 HydrophobicContact CB-CD1 4.02Å; I336-I344 HydrophobicContact CD1-CG2 4.42Å; I336-I344 HydrophobicContact CG2-CD1 3.61Å; I336-I344 HydrophobicContact CG2-CG1 4.1Å; I336-I344 HydrophobicContact CG2-CG2 4.11Å; V338-I344 HydrophobicContact CB-CG1 4.39Å; V338-I344 HydrophobicContact CG1-CD1 4.33Å; V338-I344 HydrophobicContact CG1-CG1 3.87Å; V338-I344 HydrophobicContact CG2-CD1 4.07Å; V338-I344 HydrophobicContact CG2-CG1 3.59Å; I344-I390 WeakPolarHBondContact O-CA 3.49Å; I344-S391 PolarHBondContact N-OG 3.1Å; I344-S391 PolarHBondContact O-N 3.43Å; I344-L396 HydrophobicContact CB-CD1 3.92Å; I344-L396 HydrophobicContact CB-CG 4.28Å; I344-L396 HydrophobicContact CD1-CB 4.21Å; I344-L396 HydrophobicContact CD1-CD1 4.36Å; I344-L396 HydrophobicContact CD1-CG 3.92Å; I344-L396 HydrophobicContact CG2-CD1 3.67Å; I344-L396 HydrophobicContact CG2-CG 4.43Å; I344-Y415 HydrophobicContact CG2-CD2 4.23Å
345	I	94	Very high	91.2	Very high	51 Å²	51	36.8 Å²	36.8	26%	0.262	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.1	160.7	-84.1	175.1	0	0	0	107.3	I389 I390 Y415 E416 I418	I345-I389 WeakPolarHBondContact CA-O 3.45Å; I345-I390 HydrophobicContact CD1-CD1 4.38Å; I345-I390 HydrophobicContact CG1-CD1 4.25Å; I345-I390 HydrophobicContact CG1-CG1 3.98Å; I345-I390 HydrophobicContact CG1-CG2 4.34Å; I345-Y415 CarbonylContact O-C 3.58Å; I345-Y415 WeakPolarHBondContact O-CA 3.02Å; I345-E416 PolarHBondContact N-O 2.92Å; I345-E416 PolarHBondContact O-N 2.78Å; I345-I418 HydrophobicContact CD1-CD1 3.75Å; I345-I418 HydrophobicContact CD1-CG2 4.17Å; I345-I418 HydrophobicContact CG1-CD1 3.95Å; I345-I418 HydrophobicContact CG1-CG1 4.48Å
346	L	96.3	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124	174.3	177	70.5	0	0	0	109.1	F317 I336 F348 I366 I389 L396 I398 A413	F317-L346 HydrophobicContact CE1-CD1 3.7Å; F317-L346 HydrophobicContact CZ-CD1 3.9Å; I336-L346 HydrophobicContact CD1-CD1 4.3Å; L346-F348 HydrophobicContact CD2-CE2 3.98Å; L346-F348 HydrophobicContact CD2-CZ 4.42Å; L346-F348 HydrophobicContact CG-CE2 4.31Å; L346-I366 HydrophobicContact CD2-CG1 4Å; L346-I366 HydrophobicContact CD2-CG2 4.42Å; L346-I389 HydrophobicContact CB-CB 4.37Å; L346-I389 HydrophobicContact CD2-CD1 4.48Å; L346-I389 PolarHBondContact N-O 2.7Å; L346-I389 PolarHBondContact O-N 3.2Å; L346-L396 HydrophobicContact CB-CD1 4.23Å; L346-I398 HydrophobicContact CD1-CD1 4.38Å; L346-I398 HydrophobicContact CD2-CD1 3.69Å; L346-A413 HydrophobicContact CD1-CB 3.9Å
347	N	95.9	Very high	90.6	Very high	66 Å²	66	42.4 Å²	42.4	35%	0.353	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.8	179.5	-167.5	0.5	0	0	0	110.9	A413 V414	N347-A413 CarbonylContact O-C 3.56Å; N347-A413 VanDerWaalsContact O-CA 3.27Å; N347-A413 WeakPolarHBondContact O-CA 3.31Å; N347-V414 HydrophobicContact CB-CG1 4Å; N347-V414 PolarHBondContact N-O 2.77Å; N347-V414 PolarHBondContact O-N 2.9Å
348	F	96.6	Very high	90.4	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.4	175.3	-76.6	-96	0	0	0	109.7	L346 M351 V364 I366 L385 P386 I389 F411 A413	L346-F348 HydrophobicContact CD2-CE2 3.98Å; L346-F348 HydrophobicContact CD2-CZ 4.42Å; L346-F348 HydrophobicContact CG-CE2 4.31Å; F348-M351 HydrophobicContact CD1-CE 3.4Å; F348-M351 HydrophobicContact CD2-CE 4.37Å; F348-M351 HydrophobicContact CE1-CE 3.47Å; F348-M351 VanDerWaalsContact CE1-CE 3.47Å; F348-M351 HydrophobicContact CE2-CE 4.42Å; F348-M351 HydrophobicContact CG-CE 3.87Å; F348-M351 HydrophobicContact CZ-CE 4.01Å; F348-V364 HydrophobicContact CE1-CG1 4.33Å; F348-V364 HydrophobicContact CZ-CG1 3.95Å; F348-I366 HydrophobicContact CE2-CD1 3.95Å; F348-I366 HydrophobicContact CZ-CD1 3.95Å; F348-L385 HydrophobicContact CB-CD2 3.99Å; F348-P386 HydrophobicContact CB-CG 4.19Å; F348-P386 HydrophobicContact CD2-CG 3.37Å; F348-P386 HydrophobicContact CE2-CG 3.92Å; F348-P386 HydrophobicContact CG-CG 3.92Å; F348-I389 HydrophobicContact CE2-CD1 4.25Å; F348-F411 HydrophobicContact CD1-CB 4.27Å; F348-F411 HydrophobicContact CD1-CD2 4.11Å; F348-F411 HydrophobicContact CD1-CG 4.49Å; F348-F411 HydrophobicContact CE1-CB 4.3Å; F348-F411 AromaticContact CE1-CD2 3.63Å; F348-F411 HydrophobicContact CE1-CD2 3.63Å; F348-F411 HydrophobicContact CE1-CE2 4.22Å; F348-F411 HydrophobicContact CE1-CG 4.08Å; F348-A413 HydrophobicContact CD1-CB 3.99Å; F348-A413 HydrophobicContact CE1-CB 4.13Å; F348-A413 HydrophobicContact CG-CB 4.29Å
349	T	96	Very high	90.5	Very high	80 Å²	80	47.4 Å²	47.4	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-29.5	176.8	58	0	0	0	0	112.5	S412 V414	T349-S412 PolarHBondContact N-O 3.24Å; T349-S412 WeakPolarHBondContact OG1-CB 3.09Å; T349-S412 PolarHBondContact OG1-O 2.76Å; T349-S412 PolarHBondContact OG1-OG 2.75Å; T349-S412 VanDerWaalsContact OG1-OG 3.05Å; T349-V414 HydrophobicContact CG2-CB 4.5Å; T349-V414 HydrophobicContact CG2-CG1 4.04Å
350	S	95.8	Very high	90.7	Very high	40 Å²	40	55.1 Å²	55.1	28%	0.28	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	143.9	177.1	-177.2	0	0	0	0	109.6	F411 S412	S350-F411 CarbonylContact O-C 3.44Å; S350-F411 VanDerWaalsContact O-CA 3.23Å; S350-F411 WeakPolarHBondContact O-CA 3.5Å; S350-F411 WeakPolarHBondContact O-CB 3.26Å; S350-S412 PolarHBondContact N-O 3.49Å; S350-S412 PolarHBondContact O-N 2.83Å
351	M	95	Very high	91.2	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	129.9	172.4	-170.6	178.1	-74.4	0	0	109.2	F348 L353 F380 D383 L385 P386 G410 F411	F348-M351 HydrophobicContact CD1-CE 3.4Å; F348-M351 HydrophobicContact CD2-CE 4.37Å; F348-M351 HydrophobicContact CE1-CE 3.47Å; F348-M351 VanDerWaalsContact CE1-CE 3.47Å; F348-M351 HydrophobicContact CE2-CE 4.42Å; F348-M351 HydrophobicContact CG-CE 3.87Å; F348-M351 HydrophobicContact CZ-CE 4.01Å; M351-L353 HydrophobicContact CG-CD1 4.13Å; M351-L353 HydrophobicContact CG-CG 4.03Å; M351-L353 HydrophobicContact SD-CD1 4.34Å; M351-F380 HydrophobicContact CE-CB 3.92Å; M351-F380 HydrophobicContact SD-CB 4.05Å; M351-D383 WeakPolarHBondContact O-CA 3.15Å; M351-L385 HydrophobicContact CB-CD2 3.78Å; M351-P386 HydrophobicContact CE-CG 4.28Å; M351-G410 CarbonylContact C-O 3.47Å; M351-F411 HydrophobicContact CB-CB 4.47Å; M351-F411 HydrophobicContact CG-CB 4.34Å
352	D	94.9	Very high	92.1	Very high	55 Å²	55	58.3 Å²	58.3	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	87.1	173.9	176.5	25.9	0	0	0	108	G408 K409 G410	D352-G408 CarbonylContact O-C 3.57Å; D352-G408 WeakPolarHBondContact O-CA 3.22Å; D352-K409 HydrophobicContact CB-CB 4.06Å; D352-K409 PolarHBondContact O-N 2.91Å; D352-K409 WeakPolarHBondContact OD2-CB 3.36Å; D352-K409 WeakPolarHBondContact OD2-CG 3.17Å; D352-K409 PolarHBondContact OD2-N 2.84Å; D352-G410 PolarHBondContact N-O 2.84Å; D352-G410 PolarHBondContact O-N 2.84Å
353	L	93.7	Very high	92.7	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	27%	0.271	C	S	.	.			trans	-118	154.7	-178.8	-57.1	179.5	0	0	0	110	Y326 M351 R355 V364 G382 F400 F411	Y326-L353 HydrophobicContact CD1-CD2 4.21Å; Y326-L353 HydrophobicContact CE1-CD2 3.58Å; M351-L353 HydrophobicContact CG-CD1 4.13Å; M351-L353 HydrophobicContact CG-CG 4.03Å; M351-L353 HydrophobicContact SD-CD1 4.34Å; L353-R355 PolarHBondContact O-N 2.93Å; L353-V364 HydrophobicContact CD1-CG2 3.72Å; L353-G382 PolarHBondContact N-O 3.26Å; L353-G382 CarbonylContact O-C 3.58Å; L353-G382 WeakPolarHBondContact O-CA 3.31Å; L353-G382 PolarHBondContact O-N 2.89Å; L353-G382 VanDerWaalsContact O-N 3.12Å; L353-F400 HydrophobicContact CD1-CE2 4.13Å; L353-F400 HydrophobicContact CD2-CE2 3.57Å; L353-F400 HydrophobicContact CD2-CZ 3.93Å; L353-F400 HydrophobicContact CG-CE2 4.47Å; L353-F411 HydrophobicContact CD2-CD1 4.47Å
354	Y	91.6	Very high	93	Very high	88 Å²	88	55.7 Å²	55.7	35%	0.345	26%	0.259	S	S	.	.			trans	-56.7	115.9	177.2	-178.9	-102.3	0	0	0	112.2	Y326 S356 Y361 W406	Y326-Y354 PolarHBondContact OH-N 2.9Å; Y354-S356 PolarHBondContact O-N 3.46Å; Y354-Y361 HydrophobicContact CD1-CD2 4.36Å; Y354-Y361 HydrophobicContact CD1-CG 4.42Å; Y354-Y361 AromaticContact CE1-CD2 3.89Å; Y354-Y361 HydrophobicContact CE1-CD2 3.89Å; Y354-Y361 HydrophobicContact CE1-CG 4.27Å; Y354-W406 HydrophobicContact CD2-CB 3.61Å; Y354-W406 HydrophobicContact CD2-CG 4.44Å; Y354-W406 HydrophobicContact CE2-CB 3.85Å; Y354-W406 HydrophobicContact CE2-CG 4.21Å; Y354-W406 HydrophobicContact CG-CB 4.45Å
355	R	90.6	Very high	93.2	Very high	193 Å²	193	56 Å²	56	73%	0.728	26%	0.26	S	S	*	.			trans	-72.9	125.5	-177.1	-173.8	173.5	178.6	166.2	-2.6	110.4	L353	L353-R355 PolarHBondContact O-N 2.93Å
356	S	90.3	Very high	93.3	Very high	23 Å²	23	53.5 Å²	53.5	16%	0.161	25%	0.248	C	C	.	.			trans	-144.4	157.7	176.7	58.4	0	0	0	0	112.3	Y354 L358 C359 W360 Y361	Y354-S356 PolarHBondContact O-N 3.46Å; S356-L358 PolarHBondContact O-N 3.49Å; S356-C359 PolarHBondContact O-N 2.79Å; S356-C359 VanDerWaalsContact O-N 3.16Å; S356-C359 WeakPolarHBondContact OG-CA 3.41Å; S356-W360 PolarHBondContact OG-N 2.97Å; S356-Y361 PolarHBondContact OG-N 2.94Å
357	H	87.4	Confident	93.4	Very high	141 Å²	141	55.8 Å²	55.8	65%	0.653	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-61.6	129.1	175.3	-171.2	74.8	0	0	0	109.7	C359 W360	H357-C359 PolarHBondContact O-N 2.84Å; H357-W360 PolarHBondContact O-N 2.71Å
358	L	86.6	Confident	93.3	Very high	109 Å²	109	53.7 Å²	53.7	57%	0.571	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	54.2	17.2	-175.4	-59.3	170.5	0	0	0	114.9	S356 W360	S356-L358 PolarHBondContact O-N 3.49Å; L358-W360 VanDerWaalsContact C-N 3.32Å; L358-W360 HydrophobicContact CD1-CZ2 3.81Å; L358-W360 PolarHBondContact O-N 2.69Å
359	C	92.1	Very high	93.1	Very high	14 Å²	14	54.3 Å²	54.3	10%	0.095	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	54	45.2	-178.8	-56.5	0	0	0	0	113.1	S356 H357 H363 R379 C381	S356-C359 PolarHBondContact O-N 2.79Å; S356-C359 VanDerWaalsContact O-N 3.16Å; S356-C359 WeakPolarHBondContact OG-CA 3.41Å; H357-C359 PolarHBondContact O-N 2.84Å; C359-H363 HydrophobicContact CB-CB 3.83Å; C359-H363 WeakPolarHBondContact O-CB 3.36Å; C359-H363 PolarHBondContact O-ND1 2.74Å; C359-R379 HydrophobicContact CB-CG 3.92Å; C359-C381 WeakPolarHBondContact CA-SG 3.32Å; C359-C381 HydrophobicContact CB-CB 3.57Å; C359-C381 WeakPolarHBondContact CB-SG 3.43Å; C359-C381 WeakPolarHBondContact SG-CB 3.33Å; C359-C381 PolarHBondContact SG-N 3.45Å; C359-C381 CovalentContact SG-SG 2.04Å; C359-C381 PolarHBondContact SG-SG 3.49Å
360	W	88.6	Confident	92.8	Very high	164 Å²	164	53.2 Å²	53.2	62%	0.621	24%	0.24	S	C	*	.			trans	-70.6	-30.2	-179.3	-75.6	-23.8	0	0	0	114.7	S356 H357 L358	S356-W360 PolarHBondContact OG-N 2.97Å; H357-W360 PolarHBondContact O-N 2.71Å; L358-W360 VanDerWaalsContact C-N 3.32Å; L358-W360 HydrophobicContact CD1-CZ2 3.81Å; L358-W360 PolarHBondContact O-N 2.69Å
361	Y	90	Very high	92.3	Very high	121 Å²	121	55.3 Å²	55.3	48%	0.475	24%	0.241	S	C	.	.	S	Bend	trans	-88.6	-95.3	-179.4	-66.1	-75.1	0	0	0	110.7	Y354 S356 H363 S403	Y354-Y361 HydrophobicContact CD1-CD2 4.36Å; Y354-Y361 HydrophobicContact CD1-CG 4.42Å; Y354-Y361 AromaticContact CE1-CD2 3.89Å; Y354-Y361 HydrophobicContact CE1-CD2 3.89Å; Y354-Y361 HydrophobicContact CE1-CG 4.27Å; S356-Y361 PolarHBondContact OG-N 2.94Å; Y361-H363 PolarHBondContact O-ND1 3.45Å; Y361-S403 VanDerWaalsContact CA-OG 3.31Å; Y361-S403 WeakPolarHBondContact CA-OG 3.44Å; Y361-S403 PolarHBondContact O-OG 3.06Å
362	D	93.9	Very high	92	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-92.2	123	-177.3	-61.8	5.3	0	0	0	109.2	Y326 C381 R401 S402 S403 S404	Y326-D362 WeakPolarHBondContact CE2-OD2 3.33Å; Y326-D362 VanDerWaalsContact CZ-OD2 3.29Å; Y326-D362 PolarHBondContact OH-OD2 2.71Å; D362-C381 WeakPolarHBondContact O-CB 3.36Å; D362-R401 CarbonylContact C-O 3.6Å; D362-R401 VanDerWaalsContact CA-O 3.27Å; D362-R401 WeakPolarHBondContact CA-O 3.34Å; D362-S402 VanDerWaalsContact OD1-CA 3.31Å; D362-S402 WeakPolarHBondContact OD1-CA 3.24Å; D362-S402 PolarHBondContact OD1-OG 3.49Å; D362-S402 PolarHBondContact OD2-OG 3.1Å; D362-S403 PolarHBondContact OD1-N 2.85Å; D362-S404 PolarHBondContact OD1-N 3.07Å; D362-S404 PolarHBondContact OD1-OG 3.21Å; D362-S404 PolarHBondContact OD2-OG 3.41Å; D362-S404 VanDerWaalsContact OD2-OG 3.07Å
363	H	95.3	Very high	91.7	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.9	-176.1	65.6	-89.1	0	0	0	113.1	C359 Y361 R379 F380 F400 R401	C359-H363 HydrophobicContact CB-CB 3.83Å; C359-H363 WeakPolarHBondContact O-CB 3.36Å; C359-H363 PolarHBondContact O-ND1 2.74Å; Y361-H363 PolarHBondContact O-ND1 3.45Å; H363-R379 HydrophobicContact CB-CG 3.74Å; H363-F380 CarbonylContact C-O 3.6Å; H363-F380 VanDerWaalsContact CA-O 3.25Å; H363-F380 WeakPolarHBondContact CA-O 3.31Å; H363-F400 WeakPolarHBondContact O-CA 3.42Å; H363-F400 VanDerWaalsContact O-CD2 3.3Å; H363-F400 WeakPolarHBondContact O-CD2 3.41Å; H363-R401 PolarHBondContact N-O 3.32Å; H363-R401 PolarHBondContact O-N 2.78Å
364	V	96	Very high	91.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.1	162.9	-177.9	0	0	0	0	108.2	F348 L353 I366 R379 F380 I398 E399 F400 F411	F348-V364 HydrophobicContact CE1-CG1 4.33Å; F348-V364 HydrophobicContact CZ-CG1 3.95Å; L353-V364 HydrophobicContact CD1-CG2 3.72Å; V364-I366 HydrophobicContact CG1-CD1 3.97Å; V364-I366 HydrophobicContact CG1-CG1 4.41Å; V364-R379 WeakPolarHBondContact O-CA 3.49Å; V364-F380 PolarHBondContact N-O 2.66Å; V364-F380 PolarHBondContact O-N 2.92Å; V364-I398 HydrophobicContact CG1-CG2 3.73Å; V364-E399 CarbonylContact C-O 3.55Å; V364-E399 WeakPolarHBondContact CA-O 3.46Å; V364-F400 HydrophobicContact CG2-CB 4.35Å; V364-F400 HydrophobicContact CG2-CD2 3.63Å; V364-F400 HydrophobicContact CG2-CE2 4.41Å; V364-F400 HydrophobicContact CG2-CG 4.35Å; V364-F411 HydrophobicContact CG2-CD1 3.41Å; V364-F411 VanDerWaalsContact CG2-CD1 3.41Å; V364-F411 HydrophobicContact CG2-CE1 3.39Å; V364-F411 HydrophobicContact CG2-CG 4.07Å; V364-F411 HydrophobicContact CG2-CZ 4.03Å
365	E	96.1	Very high	91.8	Very high	5 Å²	5	65.9 Å²	65.9	2%	0.023	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.7	177.1	-179.9	162.9	121.1	0	0	109.7	R367 L376 R379 I398 E399	E365-R367 HydrophobicContact CG-CG 4.27Å; E365-R367 IonicContact OE1-CZ 3.65Å; E365-R367 IonicContact OE1-NE 4Å; E365-R367 PolarHBondContact OE1-NE 3.26Å; E365-R367 IonicContact OE1-NH2 2.66Å; E365-R367 PolarHBondContact OE1-NH2 2.89Å; E365-R367 IonicContact OE2-NH2 3.05Å; E365-L376 HydrophobicContact CG-CD1 3.48Å; E365-L376 VanDerWaalsContact CG-CD1 3.48Å; E365-R379 IonicContact OE2-CZ 2.91Å; E365-R379 IonicContact OE2-NE 3.98Å; E365-R379 PolarHBondContact OE2-NE 3.41Å; E365-R379 IonicContact OE2-NH2 2.77Å; E365-R379 PolarHBondContact OE2-NH2 3.37Å; E365-I398 CarbonylContact O-C 3.54Å; E365-I398 WeakPolarHBondContact O-CA 3.41Å; E365-E399 PolarHBondContact N-O 2.77Å; E365-E399 PolarHBondContact O-N 3.35Å
366	I	97.6	Very high	92.1	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.1	176.6	-60.6	101.9	0	0	0	109.4	L346 F348 V364 K377 G378 F380 I389 L396 I398	L346-I366 HydrophobicContact CD2-CG1 4Å; L346-I366 HydrophobicContact CD2-CG2 4.42Å; F348-I366 HydrophobicContact CE2-CD1 3.95Å; F348-I366 HydrophobicContact CZ-CD1 3.95Å; V364-I366 HydrophobicContact CG1-CD1 3.97Å; V364-I366 HydrophobicContact CG1-CG1 4.41Å; I366-K377 HydrophobicContact CB-CB 4.49Å; I366-K377 HydrophobicContact CG2-CB 4.27Å; I366-K377 WeakPolarHBondContact O-CB 3.42Å; I366-K377 PolarHBondContact O-N 3.21Å; I366-G378 PolarHBondContact N-O 3.2Å; I366-G378 PolarHBondContact O-N 2.9Å; I366-F380 HydrophobicContact CD1-CD2 3.4Å; I366-F380 HydrophobicContact CD1-CE2 3.41Å; I366-F380 VanDerWaalsContact CD1-CE2 3.41Å; I366-I389 HydrophobicContact CB-CD1 4.41Å; I366-I389 HydrophobicContact CD1-CD1 3.73Å; I366-I389 HydrophobicContact CG1-CD1 4.21Å; I366-I389 HydrophobicContact CG2-CG2 4.29Å; I366-L396 HydrophobicContact CG2-CD2 4.17Å; I366-I398 HydrophobicContact CG1-CG1 4.17Å; I366-I398 HydrophobicContact CG1-CG2 4.26Å; I366-I398 HydrophobicContact CG2-CG1 4.39Å
367	R	97.1	Very high	92.3	Very high	47 Å²	47	63.9 Å²	63.9	18%	0.177	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.5	177.5	-62	-175.2	171.8	-91.3	-1.1	111.7	E365 G369 R372 A374 P375 L376 L396 W397	E365-R367 HydrophobicContact CG-CG 4.27Å; E365-R367 IonicContact OE1-CZ 3.65Å; E365-R367 IonicContact OE1-NE 4Å; E365-R367 PolarHBondContact OE1-NE 3.26Å; E365-R367 IonicContact OE1-NH2 2.66Å; E365-R367 PolarHBondContact OE1-NH2 2.89Å; E365-R367 IonicContact OE2-NH2 3.05Å; R367-G369 PolarHBondContact O-N 3.41Å; R367-R372 WeakPolarHBondContact CD-O 3.4Å; R367-R372 PolarHBondContact NE-O 3.06Å; R367-R372 PolarHBondContact NH1-O 3.25Å; R367-A374 HydrophobicContact CB-CB 4.03Å; R367-A374 PolarHBondContact NH1-O 3.4Å; R367-P375 CarbonylContact C-O 3.47Å; R367-P375 VanDerWaalsContact CA-O 3.28Å; R367-P375 WeakPolarHBondContact CA-O 3.43Å; R367-L376 HydrophobicContact CG-CD1 4.34Å; R367-L396 WeakPolarHBondContact O-CD2 3.12Å; R367-W397 HydrophobicContact CB-CB 4.4Å; R367-W397 HydrophobicContact CB-CE3 4.21Å; R367-W397 HydrophobicContact CG-CE3 4.03Å; R367-W397 HydrophobicContact CG-CZ3 4.42Å; R367-W397 PolarHBondContact N-O 2.64Å; R367-W397 PolarHBondContact O-N 2.85Å
368	D	94.4	Very high	92.6	Very high	23 Å²	23	57.7 Å²	57.7	12%	0.123	27%	0.265	C	S	.	.	S	Bend	trans	-89.3	77.8	-175	-162.8	18.5	0	0	0	111.8	P375 K377 S391 T392	D368-P375 HydrophobicContact CB-CB 4.41Å; D368-P375 PolarHBondContact N-O 3.04Å; D368-K377 HydrophobicContact CB-CD 4.3Å; D368-K377 VanDerWaalsContact CB-CE 3.42Å; D368-K377 HydrophobicContact CB-CG 3.89Å; D368-K377 WeakPolarHBondContact OD2-CE 3.44Å; D368-K377 IonicContact OD2-NZ 3.12Å; D368-K377 PolarHBondContact OD2-NZ 2.98Å; D368-K377 VanDerWaalsContact OD2-NZ 3.15Å; D368-S391 WeakPolarHBondContact OD1-CA 3.26Å; D368-T392 PolarHBondContact OD1-N 2.68Å; D368-T392 WeakPolarHBondContact OD2-CB 3.47Å; D368-T392 PolarHBondContact OD2-N 2.68Å; D368-T392 PolarHBondContact OD2-OG1 2.95Å
369	G	91.8	Very high	93	Very high	15 Å²	15	57 Å²	57	16%	0.155	26%	0.255	C	S	.	.	S	Bend	trans	157.9	-162.1	-178.7	0	0	0	0	0	112.1	R367 R395 L396 W397	R367-G369 PolarHBondContact O-N 3.41Å; G369-R395 PolarHBondContact N-O 3.39Å; G369-R395 VanDerWaalsContact N-O 3.15Å; G369-L396 CarbonylContact O-C 3.6Å; G369-L396 VanDerWaalsContact O-C 3.23Å; G369-L396 WeakPolarHBondContact O-CA 3.46Å; G369-W397 WeakPolarHBondContact O-CB 3.23Å; G369-W397 PolarHBondContact O-N 3.35Å
370	Y	89.4	Confident	93.2	Very high	58 Å²	58	58.7 Å²	58.7	23%	0.227	26%	0.261	C	S	.	.	S	Bend	trans	-95.1	-8.6	-170.2	63.2	-92	0	0	0	115	V118 T149 I151	V118-Y370 HydrophobicContact CG1-CD2 4.5Å; V118-Y370 HydrophobicContact CG1-CE2 3.84Å; V118-Y370 HydrophobicContact CG2-CD2 4.31Å; V118-Y370 HydrophobicContact CG2-CE2 3.98Å; T149-Y370 HydrophobicContact CG2-CD2 4.42Å; I151-Y370 HydrophobicContact CD1-CE1 4.29Å; I151-Y370 HydrophobicContact CD1-CE2 4.17Å; I151-Y370 HydrophobicContact CG2-CD1 4.05Å; I151-Y370 HydrophobicContact CG2-CD2 3.99Å; I151-Y370 HydrophobicContact CG2-CE1 4.18Å; I151-Y370 HydrophobicContact CG2-CE2 4.12Å; I151-Y370 HydrophobicContact CG2-CG 3.97Å
371	W	87	Confident	93.5	Very high	83 Å²	83	51.9 Å²	51.9	31%	0.314	24%	0.238	S	C	.	.	S	Bend	trans	-149.8	168.8	-170.4	73.5	-32.4	0	0	0	114.1	K373 A374	W371-K373 HydrophobicContact CD2-CB 4.1Å; W371-K373 HydrophobicContact CH2-CB 4.3Å; W371-K373 HydrophobicContact CH2-CD 3.75Å; W371-K373 HydrophobicContact CH2-CG 4.47Å; W371-K373 HydrophobicContact CZ2-CB 3.77Å; W371-K373 HydrophobicContact CZ2-CD 4.02Å; W371-K373 HydrophobicContact CZ2-CG 4.42Å; W371-K373 HydrophobicContact CZ3-CD 4.08Å; W371-K373 PolarHBondContact O-N 2.88Å; W371-A374 WeakPolarHBondContact O-CB 3.12Å; W371-A374 PolarHBondContact O-N 3.27Å
372	R	87.6	Confident	93.6	Very high	132 Å²	132	46.3 Å²	46.3	50%	0.498	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.5	-175.8	65.1	178.9	173.3	153.9	-1.4	116.4	E116 R367 W397	E116-R372 IonicContact OE1-CZ 2.68Å; E116-R372 IonicContact OE1-NH2 3.21Å; E116-R372 PolarHBondContact OE1-NH2 3.29Å; E116-R372 IonicContact OE2-CZ 2.7Å; E116-R372 IonicContact OE2-NE 3.53Å; E116-R372 PolarHBondContact OE2-NE 2.69Å; E116-R372 IonicContact OE2-NH2 3.74Å; E116-R372 PolarHBondContact OE2-NH2 3.19Å; R367-R372 WeakPolarHBondContact CD-O 3.4Å; R367-R372 PolarHBondContact NE-O 3.06Å; R367-R372 PolarHBondContact NH1-O 3.25Å; R372-W397 HydrophobicContact CB-CH2 3.77Å; R372-W397 HydrophobicContact CB-CZ2 3.85Å; R372-W397 HydrophobicContact CB-CZ3 4.26Å
373	K	89.3	Confident	93.6	Very high	151 Å²	151	51.4 Å²	51.4	66%	0.657	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.5	176.4	-68.6	-177.3	179	177.4	0	113.3	W371	W371-K373 HydrophobicContact CD2-CB 4.1Å; W371-K373 HydrophobicContact CH2-CB 4.3Å; W371-K373 HydrophobicContact CH2-CD 3.75Å; W371-K373 HydrophobicContact CH2-CG 4.47Å; W371-K373 HydrophobicContact CZ2-CB 3.77Å; W371-K373 HydrophobicContact CZ2-CD 4.02Å; W371-K373 HydrophobicContact CZ2-CG 4.42Å; W371-K373 HydrophobicContact CZ3-CD 4.08Å; W371-K373 PolarHBondContact O-N 2.88Å
374	A	92.1	Very high	93.5	Very high	5 Å²	5	59.1 Å²	59.1	4%	0.041	28%	0.278	C	S	.	.	S	Bend	trans	-62.8	156.1	176.6	0	0	0	0	0	112	R367 W371 L376	R367-A374 HydrophobicContact CB-CB 4.03Å; R367-A374 PolarHBondContact NH1-O 3.4Å; W371-A374 WeakPolarHBondContact O-CB 3.12Å; W371-A374 PolarHBondContact O-N 3.27Å; A374-L376 PolarHBondContact O-N 3.33Å
375	P	95.5	Very high	93.4	Very high	90 Å²	90	62.8 Å²	62.8	58%	0.584	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-51.7	133.1	179.2	-27.3	34.9	0	0	0	112.7	R367 D368 K377	R367-P375 CarbonylContact C-O 3.47Å; R367-P375 VanDerWaalsContact CA-O 3.28Å; R367-P375 WeakPolarHBondContact CA-O 3.43Å; D368-P375 HydrophobicContact CB-CB 4.41Å; D368-P375 PolarHBondContact N-O 3.04Å; P375-K377 PolarHBondContact O-N 2.77Å
376	L	95.4	Very high	93.3	Very high	91 Å²	91	63.4 Å²	63.4	48%	0.476	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.5	179.6	179.8	66.9	0	0	0	110	E365 R367 A374	E365-L376 HydrophobicContact CG-CD1 3.48Å; E365-L376 VanDerWaalsContact CG-CD1 3.48Å; R367-L376 HydrophobicContact CG-CD1 4.34Å; A374-L376 PolarHBondContact O-N 3.33Å
377	K	95.3	Very high	93.1	Very high	82 Å²	82	71.1 Å²	71.1	36%	0.357	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-36.5	170.6	-72.1	-79.9	178.5	164.4	0	111.4	I366 D368 P375 I389 I390 T392	I366-K377 HydrophobicContact CB-CB 4.49Å; I366-K377 HydrophobicContact CG2-CB 4.27Å; I366-K377 WeakPolarHBondContact O-CB 3.42Å; I366-K377 PolarHBondContact O-N 3.21Å; D368-K377 HydrophobicContact CB-CD 4.3Å; D368-K377 VanDerWaalsContact CB-CE 3.42Å; D368-K377 HydrophobicContact CB-CG 3.89Å; D368-K377 WeakPolarHBondContact OD2-CE 3.44Å; D368-K377 IonicContact OD2-NZ 3.12Å; D368-K377 PolarHBondContact OD2-NZ 2.98Å; D368-K377 VanDerWaalsContact OD2-NZ 3.15Å; P375-K377 PolarHBondContact O-N 2.77Å; K377-I389 HydrophobicContact CB-CG2 4.1Å; K377-I389 HydrophobicContact CD-CG2 4.44Å; K377-I389 HydrophobicContact CG-CG2 4.28Å; K377-I390 PolarHBondContact NZ-O 2.81Å; K377-T392 PolarHBondContact NZ-OG1 3.24Å
378	G	93.8	Very high	92.9	Very high	12 Å²	12	72 Å²	72	12%	0.124	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	161.8	174.4	0	0	0	0	0	112.9	I366 F380	I366-G378 PolarHBondContact N-O 3.2Å; I366-G378 PolarHBondContact O-N 2.9Å; G378-F380 VanDerWaalsContact C-CE2 3.48Å
379	R	95.6	Very high	92.9	Very high	95 Å²	95	71.7 Å²	71.7	36%	0.358	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.4	172.6	-174.5	-176.7	-71.6	-175.1	-5.5	108.2	C359 H363 V364 E365	C359-R379 HydrophobicContact CB-CG 3.92Å; H363-R379 HydrophobicContact CB-CG 3.74Å; V364-R379 WeakPolarHBondContact O-CA 3.49Å; E365-R379 IonicContact OE2-CZ 2.91Å; E365-R379 IonicContact OE2-NE 3.98Å; E365-R379 PolarHBondContact OE2-NE 3.41Å; E365-R379 IonicContact OE2-NH2 2.77Å; E365-R379 PolarHBondContact OE2-NH2 3.37Å
380	F	95.7	Very high	92.9	Very high	49 Å²	49	74.9 Å²	74.9	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.8	-168.2	-52.5	-79.1	0	0	0	111.4	M351 H363 V364 I366 G378 P386 I389	M351-F380 HydrophobicContact CE-CB 3.92Å; M351-F380 HydrophobicContact SD-CB 4.05Å; H363-F380 CarbonylContact C-O 3.6Å; H363-F380 VanDerWaalsContact CA-O 3.25Å; H363-F380 WeakPolarHBondContact CA-O 3.31Å; V364-F380 PolarHBondContact N-O 2.66Å; V364-F380 PolarHBondContact O-N 2.92Å; I366-F380 HydrophobicContact CD1-CD2 3.4Å; I366-F380 HydrophobicContact CD1-CE2 3.41Å; I366-F380 VanDerWaalsContact CD1-CE2 3.41Å; G378-F380 VanDerWaalsContact C-CE2 3.48Å; F380-P386 HydrophobicContact CD1-CB 3.64Å; F380-P386 HydrophobicContact CD1-CG 4.2Å; F380-P386 HydrophobicContact CE1-CB 3.47Å; F380-P386 VanDerWaalsContact CE1-CB 3.47Å; F380-P386 HydrophobicContact CE1-CG 4.37Å; F380-P386 HydrophobicContact CE2-CB 4.47Å; F380-P386 HydrophobicContact CG-CB 4.2Å; F380-P386 HydrophobicContact CG-CG 4.29Å; F380-P386 HydrophobicContact CZ-CB 3.91Å; F380-I389 HydrophobicContact CE2-CD1 3.66Å; F380-I389 HydrophobicContact CZ-CD1 3.95Å
381	C	94.2	Very high	93.1	Very high	21 Å²	21	72.3 Å²	72.3	14%	0.142	35%	0.35	C	S	.	.			trans	-157.6	169.7	178.1	64.5	0	0	0	0	109.8	C359 D362	C359-C381 WeakPolarHBondContact CA-SG 3.32Å; C359-C381 HydrophobicContact CB-CB 3.57Å; C359-C381 WeakPolarHBondContact CB-SG 3.43Å; C359-C381 WeakPolarHBondContact SG-CB 3.33Å; C359-C381 PolarHBondContact SG-N 3.45Å; C359-C381 CovalentContact SG-SG 2.04Å; C359-C381 PolarHBondContact SG-SG 3.49Å; D362-C381 WeakPolarHBondContact O-CB 3.36Å
382	G	93.1	Very high	93.2	Very high	3 Å²	3	72.1 Å²	72.1	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	83.7	-154.3	-172.5	0	0	0	0	0	112.3	L353	L353-G382 PolarHBondContact N-O 3.26Å; L353-G382 CarbonylContact O-C 3.58Å; L353-G382 WeakPolarHBondContact O-CA 3.31Å; L353-G382 PolarHBondContact O-N 2.89Å; L353-G382 VanDerWaalsContact O-N 3.12Å
383	D	93.1	Very high	93.1	Very high	107 Å²	107	68.5 Å²	68.5	57%	0.572	35%	0.349	S	S	*	.	S	Bend	trans	-110.1	-6.8	-174.6	58.8	-19.8	0	0	0	113.6	M351 L385	M351-D383 WeakPolarHBondContact O-CA 3.15Å; D383-L385 PolarHBondContact O-N 3.35Å
384	K	93.1	Very high	93.1	Very high	173 Å²	173	61.9 Å²	61.9	75%	0.752	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-79.7	120	179.5	-174.7	179	177.5	-177.5	0	110.5
385	L	93.6	Very high	93.1	Very high	77 Å²	77	64.1 Å²	64.1	40%	0.403	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-66.8	133.3	173.4	-61.2	178.1	0	0	0	111	F348 M351 D383	F348-L385 HydrophobicContact CB-CD2 3.99Å; M351-L385 HydrophobicContact CB-CD2 3.78Å; D383-L385 PolarHBondContact O-N 3.35Å
386	P	94.1	Very high	93.1	Very high	18 Å²	18	60 Å²	60	12%	0.117	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-72.8	156.2	170	31.3	-35.3	0	0	0	111.6	F348 M351 F380	F348-P386 HydrophobicContact CB-CG 4.19Å; F348-P386 HydrophobicContact CD2-CG 3.37Å; F348-P386 HydrophobicContact CE2-CG 3.92Å; F348-P386 HydrophobicContact CG-CG 3.92Å; M351-P386 HydrophobicContact CE-CG 4.28Å; F380-P386 HydrophobicContact CD1-CB 3.64Å; F380-P386 HydrophobicContact CD1-CG 4.2Å; F380-P386 HydrophobicContact CE1-CB 3.47Å; F380-P386 VanDerWaalsContact CE1-CB 3.47Å; F380-P386 HydrophobicContact CE1-CG 4.37Å; F380-P386 HydrophobicContact CE2-CB 4.47Å; F380-P386 HydrophobicContact CG-CB 4.2Å; F380-P386 HydrophobicContact CG-CG 4.29Å; F380-P386 HydrophobicContact CZ-CB 3.91Å
387	E	93.3	Very high	93.1	Very high	161 Å²	161	56.2 Å²	56.2	75%	0.752	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-61.2	153.8	168.6	-66.1	-60.1	149.2	0	0	111.1	I389	E387-I389 WeakPolarHBondContact O-CG1 3.39Å; E387-I389 PolarHBondContact O-N 3.23Å
388	P	93.9	Very high	93.2	Very high	66 Å²	66	52.3 Å²	52.3	43%	0.429	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-52	123.7	177.8	-27.4	35.3	0	0	0	112.3
389	I	95.1	Very high	93.3	Very high	16 Å²	16	53 Å²	53	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.2	-176	-60.4	166.5	0	0	0	108.4	I345 L346 F348 I366 K377 F380 E387	I345-I389 WeakPolarHBondContact CA-O 3.45Å; L346-I389 HydrophobicContact CB-CB 4.37Å; L346-I389 HydrophobicContact CD2-CD1 4.48Å; L346-I389 PolarHBondContact N-O 2.7Å; L346-I389 PolarHBondContact O-N 3.2Å; F348-I389 HydrophobicContact CE2-CD1 4.25Å; I366-I389 HydrophobicContact CB-CD1 4.41Å; I366-I389 HydrophobicContact CD1-CD1 3.73Å; I366-I389 HydrophobicContact CG1-CD1 4.21Å; I366-I389 HydrophobicContact CG2-CG2 4.29Å; K377-I389 HydrophobicContact CB-CG2 4.1Å; K377-I389 HydrophobicContact CD-CG2 4.44Å; K377-I389 HydrophobicContact CG-CG2 4.28Å; F380-I389 HydrophobicContact CE2-CD1 3.66Å; F380-I389 HydrophobicContact CZ-CD1 3.95Å; E387-I389 WeakPolarHBondContact O-CG1 3.39Å; E387-I389 PolarHBondContact O-N 3.23Å
390	I	91.9	Very high	93.3	Very high	83 Å²	83	48.5 Å²	48.5	43%	0.426	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.1	176.9	-42.9	-170.4	0	0	0	109.3	K343 I344 I345 K377	K343-I390 HydrophobicContact CB-CG2 4.49Å; I344-I390 WeakPolarHBondContact O-CA 3.49Å; I345-I390 HydrophobicContact CD1-CD1 4.38Å; I345-I390 HydrophobicContact CG1-CD1 4.25Å; I345-I390 HydrophobicContact CG1-CG1 3.98Å; I345-I390 HydrophobicContact CG1-CG2 4.34Å; K377-I390 PolarHBondContact NZ-O 2.81Å
391	S	93	Very high	93.2	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.028	26%	0.261	C	S	.	.			trans	-68.8	157.1	172.6	69.1	0	0	0	0	111.4	I344 D368 D393	I344-S391 PolarHBondContact N-OG 3.1Å; I344-S391 PolarHBondContact O-N 3.43Å; D368-S391 WeakPolarHBondContact OD1-CA 3.26Å; S391-D393 VanDerWaalsContact CB-O 3.26Å; S391-D393 WeakPolarHBondContact CB-O 3.25Å; S391-D393 PolarHBondContact OG-O 2.8Å
392	T	88.4	Confident	93.1	Very high	78 Å²	78	51.6 Å²	51.6	48%	0.479	26%	0.255	S	S	.	.	S	Bend	trans	-81	-27	172.9	-55.5	0	0	0	0	111.2	D368 K377	D368-T392 PolarHBondContact OD1-N 2.68Å; D368-T392 WeakPolarHBondContact OD2-CB 3.47Å; D368-T392 PolarHBondContact OD2-N 2.68Å; D368-T392 PolarHBondContact OD2-OG1 2.95Å; K377-T392 PolarHBondContact NZ-OG1 3.24Å
393	D	86.3	Confident	92.9	Very high	56 Å²	56	53.2 Å²	53.2	30%	0.299	27%	0.266	S	S	.	.	S	Bend	trans	-141.2	-168.1	-174.8	-147.6	-40.8	0	0	0	110.7	E342 S391 R395 R425	E342-D393 CarbonylContact O-C 3.58Å; S391-D393 VanDerWaalsContact CB-O 3.26Å; S391-D393 WeakPolarHBondContact CB-O 3.25Å; S391-D393 PolarHBondContact OG-O 2.8Å; D393-R395 VanDerWaalsContact C-N 3.27Å; D393-R395 PolarHBondContact O-N 3.05Å; D393-R425 IonicContact OD2-CZ 2.85Å; D393-R425 IonicContact OD2-NH1 3.15Å; D393-R425 PolarHBondContact OD2-NH1 2.83Å; D393-R425 IonicContact OD2-NH2 2.81Å; D393-R425 PolarHBondContact OD2-NH2 2.94Å
394	S	88	Confident	92.3	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.084	24%	0.243	C	C	.	.	S	Bend	trans	-76.7	7.1	-173.3	52.2	0	0	0	0	116.1	V338 T339 E342	V338-S394 WeakPolarHBondContact CG2-O 3.26Å; V338-S394 PolarHBondContact N-O 2.83Å; T339-S394 WeakPolarHBondContact O-CB 3.22Å; E342-S394 VanDerWaalsContact O-CA 3.29Å; E342-S394 WeakPolarHBondContact O-CA 3.48Å; E342-S394 PolarHBondContact O-N 2.8Å
395	R	92.4	Very high	91.9	Very high	53 Å²	53	46 Å²	46	20%	0.2	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.9	-175.6	-61.5	-171.2	-179.7	-128.1	8.2	113.8	E143 T149 F150 I336 S337 G369 D393	E143-R395 IonicContact OE1-CZ 2.94Å; E143-R395 IonicContact OE1-NH1 3.82Å; E143-R395 PolarHBondContact OE1-NH1 2.89Å; E143-R395 IonicContact OE1-NH2 2.82Å; E143-R395 PolarHBondContact OE1-NH2 3.03Å; E143-R395 IonicContact OE2-NH1 3.17Å; E143-R395 IonicContact OE2-NH2 2.8Å; T149-R395 VanDerWaalsContact CG2-NH1 3.27Å; F150-R395 PolarHBondContact O-NH2 3.46Å; I336-R395 CarbonylContact O-C 3.45Å; I336-R395 VanDerWaalsContact O-CA 3.29Å; I336-R395 WeakPolarHBondContact O-CA 3.44Å; S337-R395 PolarHBondContact OG-NE 2.77Å; G369-R395 PolarHBondContact N-O 3.39Å; G369-R395 VanDerWaalsContact N-O 3.15Å; D393-R395 VanDerWaalsContact C-N 3.27Å; D393-R395 PolarHBondContact O-N 3.05Å
396	L	95.7	Very high	91.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.5	168.5	-72	179	0	0	0	110.7	I336 I344 L346 I366 R367 G369	I336-L396 HydrophobicContact CB-CB 4.3Å; I336-L396 PolarHBondContact N-O 3.32Å; I336-L396 PolarHBondContact O-N 2.83Å; I344-L396 HydrophobicContact CB-CD1 3.92Å; I344-L396 HydrophobicContact CB-CG 4.28Å; I344-L396 HydrophobicContact CD1-CB 4.21Å; I344-L396 HydrophobicContact CD1-CD1 4.36Å; I344-L396 HydrophobicContact CD1-CG 3.92Å; I344-L396 HydrophobicContact CG2-CD1 3.67Å; I344-L396 HydrophobicContact CG2-CG 4.43Å; L346-L396 HydrophobicContact CB-CD1 4.23Å; I366-L396 HydrophobicContact CG2-CD2 4.17Å; R367-L396 WeakPolarHBondContact O-CD2 3.12Å; G369-L396 CarbonylContact O-C 3.6Å; G369-L396 VanDerWaalsContact O-C 3.23Å; G369-L396 WeakPolarHBondContact O-CA 3.46Å
397	W	95.8	Very high	90.8	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.045	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.6	172.7	-175.7	93.2	0	0	0	108.9	I333 R367 G369 R372 E399	I333-W397 HydrophobicContact CD1-CZ2 3.91Å; I333-W397 HydrophobicContact CG1-CZ2 4.14Å; I333-W397 HydrophobicContact CG2-CZ2 4.11Å; I333-W397 VanDerWaalsContact CG2-NE1 3.33Å; R367-W397 HydrophobicContact CB-CB 4.4Å; R367-W397 HydrophobicContact CB-CE3 4.21Å; R367-W397 HydrophobicContact CG-CE3 4.03Å; R367-W397 HydrophobicContact CG-CZ3 4.42Å; R367-W397 PolarHBondContact N-O 2.64Å; R367-W397 PolarHBondContact O-N 2.85Å; G369-W397 WeakPolarHBondContact O-CB 3.23Å; G369-W397 PolarHBondContact O-N 3.35Å; R372-W397 HydrophobicContact CB-CH2 3.77Å; R372-W397 HydrophobicContact CB-CZ2 3.85Å; R372-W397 HydrophobicContact CB-CZ3 4.26Å; W397-E399 HydrophobicContact CE3-CB 4.18Å; W397-E399 HydrophobicContact CH2-CB 3.34Å; W397-E399 VanDerWaalsContact CH2-CD 3.5Å; W397-E399 HydrophobicContact CH2-CG 3.94Å; W397-E399 HydrophobicContact CZ2-CB 4.08Å; W397-E399 HydrophobicContact CZ3-CB 3.37Å; W397-E399 HydrophobicContact CZ3-CG 4.37Å
398	I	96.5	Very high	90.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.8	-172	-55.3	175	0	0	0	108.5	F317 I333 W334 I336 L346 V364 E365 I366	F317-I398 HydrophobicContact CE1-CD1 4.34Å; F317-I398 HydrophobicContact CE2-CD1 4.28Å; F317-I398 HydrophobicContact CE2-CG2 4.47Å; F317-I398 HydrophobicContact CZ-CD1 3.56Å; I333-I398 CarbonylContact C-O 3.54Å; I333-I398 WeakPolarHBondContact CA-O 3.45Å; W334-I398 HydrophobicContact CB-CB 4.28Å; W334-I398 HydrophobicContact CE3-CG2 4.46Å; W334-I398 PolarHBondContact N-O 3.49Å; W334-I398 PolarHBondContact O-N 2.73Å; I336-I398 HydrophobicContact CD1-CD1 3.68Å; I336-I398 HydrophobicContact CG1-CD1 4.29Å; L346-I398 HydrophobicContact CD1-CD1 4.38Å; L346-I398 HydrophobicContact CD2-CD1 3.69Å; V364-I398 HydrophobicContact CG1-CG2 3.73Å; E365-I398 CarbonylContact O-C 3.54Å; E365-I398 WeakPolarHBondContact O-CA 3.41Å; I366-I398 HydrophobicContact CG1-CG1 4.17Å; I366-I398 HydrophobicContact CG1-CG2 4.26Å; I366-I398 HydrophobicContact CG2-CG1 4.39Å
399	E	96	Very high	90.6	Very high	27 Å²	27	50 Å²	50	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.1	176.8	175.5	177.8	-113.8	0	0	110.1	H331 V364 E365 W397	H331-E399 IonicContact CD2-OE1 3.78Å; H331-E399 IonicContact CE1-OE1 3.58Å; H331-E399 IonicContact NE2-OE1 2.83Å; H331-E399 PolarHBondContact NE2-OE1 3.36Å; V364-E399 CarbonylContact C-O 3.55Å; V364-E399 WeakPolarHBondContact CA-O 3.46Å; E365-E399 PolarHBondContact N-O 2.77Å; E365-E399 PolarHBondContact O-N 3.35Å; W397-E399 HydrophobicContact CE3-CB 4.18Å; W397-E399 HydrophobicContact CH2-CB 3.34Å; W397-E399 VanDerWaalsContact CH2-CD 3.5Å; W397-E399 HydrophobicContact CH2-CG 3.94Å; W397-E399 HydrophobicContact CZ2-CB 4.08Å; W397-E399 HydrophobicContact CZ3-CB 3.37Å; W397-E399 HydrophobicContact CZ3-CG 4.37Å
400	F	95.8	Very high	90.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124	164.7	177.1	-125.9	0	0	0	109	Y326 H331 C332 W334 L353 H363 V364 F411	Y326-F400 HydrophobicContact CD1-CZ 4.03Å; Y326-F400 HydrophobicContact CD2-CE1 4.01Å; Y326-F400 AromaticContact CD2-CZ 3.65Å; Y326-F400 HydrophobicContact CD2-CZ 3.65Å; Y326-F400 HydrophobicContact CE1-CZ 4.21Å; Y326-F400 AromaticContact CE2-CZ 3.86Å; Y326-F400 HydrophobicContact CE2-CZ 3.86Å; Y326-F400 AromaticContact CG-CE1 4Å; Y326-F400 HydrophobicContact CG-CE1 4Å; Y326-F400 AromaticContact CG-CZ 3.74Å; Y326-F400 HydrophobicContact CG-CZ 3.74Å; H331-F400 WeakPolarHBondContact CA-O 3.38Å; C332-F400 HydrophobicContact CB-CB 4.42Å; C332-F400 PolarHBondContact N-O 3.1Å; C332-F400 PolarHBondContact O-N 3.45Å; W334-F400 HydrophobicContact CH2-CB 4.19Å; W334-F400 HydrophobicContact CZ3-CB 3.59Å; L353-F400 HydrophobicContact CD1-CE2 4.13Å; L353-F400 HydrophobicContact CD2-CE2 3.57Å; L353-F400 HydrophobicContact CD2-CZ 3.93Å; L353-F400 HydrophobicContact CG-CE2 4.47Å; H363-F400 WeakPolarHBondContact O-CA 3.42Å; H363-F400 VanDerWaalsContact O-CD2 3.3Å; H363-F400 WeakPolarHBondContact O-CD2 3.41Å; V364-F400 HydrophobicContact CG2-CB 4.35Å; V364-F400 HydrophobicContact CG2-CD2 3.63Å; V364-F400 HydrophobicContact CG2-CE2 4.41Å; V364-F400 HydrophobicContact CG2-CG 4.35Å; F400-F411 HydrophobicContact CB-CE1 3.85Å; F400-F411 HydrophobicContact CB-CZ 4.35Å; F400-F411 HydrophobicContact CD1-CE1 4.2Å; F400-F411 HydrophobicContact CD2-CD1 4.28Å; F400-F411 AromaticContact CD2-CE1 3.87Å; F400-F411 HydrophobicContact CD2-CE1 3.87Å; F400-F411 AromaticContact CG-CE1 3.71Å; F400-F411 HydrophobicContact CG-CE1 3.71Å
401	R	93.8	Very high	90.7	Very high	131 Å²	131	45.3 Å²	45.3	49%	0.494	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.9	175.7	-168.9	170.5	178.9	167.2	-1.8	109.1	M330 D362 H363	M330-R401 WeakPolarHBondContact O-CA 3.24Å; D362-R401 CarbonylContact C-O 3.6Å; D362-R401 VanDerWaalsContact CA-O 3.27Å; D362-R401 WeakPolarHBondContact CA-O 3.34Å; H363-R401 PolarHBondContact N-O 3.32Å; H363-R401 PolarHBondContact O-N 2.78Å
402	S	92.6	Very high	90.9	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	23%	0.226	C	C	.	.			trans	-106.3	138.9	166.2	171.3	0	0	0	0	108.8	Y326 Y329 M330 D362	Y326-S402 WeakPolarHBondContact CE2-OG 3.2Å; Y329-S402 CarbonylContact C-O 3.53Å; Y329-S402 WeakPolarHBondContact CA-O 3.18Å; M330-S402 PolarHBondContact O-N 2.74Å; D362-S402 VanDerWaalsContact OD1-CA 3.31Å; D362-S402 WeakPolarHBondContact OD1-CA 3.24Å; D362-S402 PolarHBondContact OD1-OG 3.49Å; D362-S402 PolarHBondContact OD2-OG 3.1Å
403	S	88	Confident	91.3	Very high	38 Å²	38	42.4 Å²	42.4	27%	0.266	20%	0.204	S	C	.	.			trans	-142.9	-4.6	177	56.9	0	0	0	0	113.1	Y329 Y361 D362	Y329-S403 VanDerWaalsContact CE1-O 3.28Å; Y329-S403 WeakPolarHBondContact CE1-O 2.97Å; Y361-S403 VanDerWaalsContact CA-OG 3.31Å; Y361-S403 WeakPolarHBondContact CA-OG 3.44Å; Y361-S403 PolarHBondContact O-OG 3.06Å; D362-S403 PolarHBondContact OD1-N 2.85Å
404	S	82.1	Confident	91.8	Very high	11 Å²	11	42.5 Å²	42.5	8%	0.077	21%	0.206	C	C	.	.	S	Bend	trans	-88.3	158.2	173.6	84.6	0	0	0	0	111.9	A328 D362 W406	A328-S404 WeakPolarHBondContact CB-O 3.13Å; D362-S404 PolarHBondContact OD1-N 3.07Å; D362-S404 PolarHBondContact OD1-OG 3.21Å; D362-S404 PolarHBondContact OD2-OG 3.41Å; D362-S404 VanDerWaalsContact OD2-OG 3.07Å; S404-W406 PolarHBondContact OG-N 3.47Å; S404-W406 PolarHBondContact OG-O 2.96Å
405	N	83	Confident	92.2	Very high	118 Å²	118	42.1 Å²	42.1	63%	0.631	20%	0.203	S	C	*	.	S	Bend	trans	-80.3	-7	170.4	-70.4	-24	0	0	0	112.8	Y329	Y329-N405 WeakPolarHBondContact CE2-OD1 3.48Å; Y329-N405 PolarHBondContact OH-OD1 2.87Å
406	W	79.2	Confident	92.1	Very high	191 Å²	191	44.3 Å²	44.3	72%	0.723	22%	0.215	S	C	*	.			trans	-105	111.9	-176.4	-69.7	90.4	0	0	0	109.1	Y354 S404	Y354-W406 HydrophobicContact CD2-CB 3.61Å; Y354-W406 HydrophobicContact CD2-CG 4.44Å; Y354-W406 HydrophobicContact CE2-CB 3.85Å; Y354-W406 HydrophobicContact CE2-CG 4.21Å; Y354-W406 HydrophobicContact CG-CB 4.45Å; S404-W406 PolarHBondContact OG-N 3.47Å; S404-W406 PolarHBondContact OG-O 2.96Å
407	V	86.4	Confident	91.8	Very high	73 Å²	73	44.3 Å²	44.3	44%	0.442	22%	0.216	S	C	.	.			trans	-105.3	137.8	-174.6	-60.7	0	0	0	0	110.8	Y326 A328	Y326-V407 HydrophobicContact CD2-CB 4.24Å; Y326-V407 HydrophobicContact CD2-CG1 4.06Å; Y326-V407 HydrophobicContact CE2-CB 4.01Å; Y326-V407 HydrophobicContact CE2-CG1 3.86Å; Y326-V407 WeakPolarHBondContact O-CB 3.37Å; Y326-V407 WeakPolarHBondContact O-CG1 3.49Å; Y326-V407 WeakPolarHBondContact O-CG2 3.46Å; A328-V407 HydrophobicContact CB-CG1 4.31Å
408	G	89.1	Confident	91.4	Very high	15 Å²	15	46.6 Å²	46.6	16%	0.155	23%	0.228	C	C	.	.			trans	-94.2	-174.2	169	0	0	0	0	0	111.7	G325 Y326 D352 G410	G325-G408 WeakPolarHBondContact CA-O 3.45Å; Y326-G408 VanDerWaalsContact CD1-O 3.24Å; Y326-G408 WeakPolarHBondContact CD1-O 3.29Å; Y326-G408 VanDerWaalsContact CE1-N 3.31Å; Y326-G408 WeakPolarHBondContact CE1-O 3.4Å; Y326-G408 PolarHBondContact N-O 3.41Å; Y326-G408 PolarHBondContact OH-N 3.19Å; D352-G408 CarbonylContact O-C 3.57Å; D352-G408 WeakPolarHBondContact O-CA 3.22Å; G408-G410 PolarHBondContact O-N 3.05Å
409	K	93.1	Very high	90.9	Very high	126 Å²	126	48 Å²	48	55%	0.548	24%	0.238	S	C	.	.			trans	-65.1	-22.7	176.5	-66.5	175.4	-176.2	176	0	113.2	F322 D352	F322-K409 WeakPolarHBondContact CD2-O 3.38Å; D352-K409 HydrophobicContact CB-CB 4.06Å; D352-K409 PolarHBondContact O-N 2.91Å; D352-K409 WeakPolarHBondContact OD2-CB 3.36Å; D352-K409 WeakPolarHBondContact OD2-CG 3.17Å; D352-K409 PolarHBondContact OD2-N 2.84Å
410	G	94	Very high	90.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.7	-155.8	-178	0	0	0	0	0	113.1	S319 Y326 M351 D352 G408	S319-G410 WeakPolarHBondContact OG-CA 3.38Å; Y326-G410 VanDerWaalsContact CD1-CA 3.49Å; M351-G410 CarbonylContact C-O 3.47Å; D352-G410 PolarHBondContact N-O 2.84Å; D352-G410 PolarHBondContact O-N 2.84Å; G408-G410 PolarHBondContact O-N 3.05Å
411	F	95.8	Very high	89.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.4	179.4	73.5	-91.3	0	0	0	112.2	F317 S318 S319 W334 F348 S350 M351 L353 V364 F400	F317-F411 HydrophobicContact CD2-CE2 4.04Å; F317-F411 AromaticContact CE2-CE2 3.68Å; F317-F411 HydrophobicContact CE2-CE2 3.68Å; F317-F411 HydrophobicContact CE2-CZ 4.23Å; S318-F411 CarbonylContact C-O 3.55Å; S318-F411 WeakPolarHBondContact CA-O 3.24Å; S318-F411 VanDerWaalsContact CB-O 3.26Å; S318-F411 WeakPolarHBondContact CB-O 3.27Å; S319-F411 PolarHBondContact N-O 3.18Å; S319-F411 PolarHBondContact OG-N 3.21Å; S319-F411 PolarHBondContact OG-O 3.06Å; W334-F411 HydrophobicContact CE3-CZ 4.38Å; W334-F411 HydrophobicContact CH2-CE1 4.32Å; W334-F411 AromaticContact CH2-CZ 3.8Å; W334-F411 HydrophobicContact CH2-CZ 3.8Å; W334-F411 HydrophobicContact CZ2-CZ 4.49Å; W334-F411 HydrophobicContact CZ3-CE1 4.35Å; W334-F411 AromaticContact CZ3-CZ 3.74Å; W334-F411 HydrophobicContact CZ3-CZ 3.74Å; F348-F411 HydrophobicContact CD1-CB 4.27Å; F348-F411 HydrophobicContact CD1-CD2 4.11Å; F348-F411 HydrophobicContact CD1-CG 4.49Å; F348-F411 HydrophobicContact CE1-CB 4.3Å; F348-F411 AromaticContact CE1-CD2 3.63Å; F348-F411 HydrophobicContact CE1-CD2 3.63Å; F348-F411 HydrophobicContact CE1-CE2 4.22Å; F348-F411 HydrophobicContact CE1-CG 4.08Å; S350-F411 CarbonylContact O-C 3.44Å; S350-F411 VanDerWaalsContact O-CA 3.23Å; S350-F411 WeakPolarHBondContact O-CA 3.5Å; S350-F411 WeakPolarHBondContact O-CB 3.26Å; M351-F411 HydrophobicContact CB-CB 4.47Å; M351-F411 HydrophobicContact CG-CB 4.34Å; L353-F411 HydrophobicContact CD2-CD1 4.47Å; V364-F411 HydrophobicContact CG2-CD1 3.41Å; V364-F411 VanDerWaalsContact CG2-CD1 3.41Å; V364-F411 HydrophobicContact CG2-CE1 3.39Å; V364-F411 HydrophobicContact CG2-CG 4.07Å; V364-F411 HydrophobicContact CG2-CZ 4.03Å; F400-F411 HydrophobicContact CB-CE1 3.85Å; F400-F411 HydrophobicContact CB-CZ 4.35Å; F400-F411 HydrophobicContact CD1-CE1 4.2Å; F400-F411 HydrophobicContact CD2-CD1 4.28Å; F400-F411 AromaticContact CD2-CE1 3.87Å; F400-F411 HydrophobicContact CD2-CE1 3.87Å; F400-F411 AromaticContact CG-CE1 3.71Å; F400-F411 HydrophobicContact CG-CE1 3.71Å
412	S	96.8	Very high	89.5	Confident	21 Å²	21	47.7 Å²	47.7	15%	0.147	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.5	170.1	174	0	0	0	0	108.9	T349 S350	T349-S412 PolarHBondContact N-O 3.24Å; T349-S412 WeakPolarHBondContact OG1-CB 3.09Å; T349-S412 PolarHBondContact OG1-O 2.76Å; T349-S412 PolarHBondContact OG1-OG 2.75Å; T349-S412 VanDerWaalsContact OG1-OG 3.05Å; S350-S412 PolarHBondContact N-O 3.49Å; S350-S412 PolarHBondContact O-N 2.83Å
413	A	96.8	Very high	89.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150	-179.1	0	0	0	0	0	111.1	N316 F317 L346 N347 F348	N316-A413 CarbonylContact C-O 3.55Å; N316-A413 VanDerWaalsContact CA-O 3.29Å; N316-A413 WeakPolarHBondContact CA-O 3.04Å; F317-A413 HydrophobicContact CD1-CB 4.47Å; F317-A413 HydrophobicContact CE1-CB 3.89Å; F317-A413 HydrophobicContact CE2-CB 4.47Å; F317-A413 HydrophobicContact CZ-CB 3.87Å; F317-A413 PolarHBondContact N-O 3.33Å; F317-A413 PolarHBondContact O-N 3.35Å; L346-A413 HydrophobicContact CD1-CB 3.9Å; N347-A413 CarbonylContact O-C 3.56Å; N347-A413 VanDerWaalsContact O-CA 3.27Å; N347-A413 WeakPolarHBondContact O-CA 3.31Å; F348-A413 HydrophobicContact CD1-CB 3.99Å; F348-A413 HydrophobicContact CE1-CB 4.13Å; F348-A413 HydrophobicContact CG-CB 4.29Å
414	V	97.1	Very high	89.3	Confident	59 Å²	59	54.2 Å²	54.2	36%	0.358	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.9	172	64.9	0	0	0	0	108.1	G315 N347 T349	G315-V414 CarbonylContact O-C 3.57Å; G315-V414 WeakPolarHBondContact O-CA 3.39Å; G315-V414 WeakPolarHBondContact O-CG2 3.15Å; N347-V414 HydrophobicContact CB-CG1 4Å; N347-V414 PolarHBondContact N-O 2.77Å; N347-V414 PolarHBondContact O-N 2.9Å; T349-V414 HydrophobicContact CG2-CB 4.5Å; T349-V414 HydrophobicContact CG2-CG1 4.04Å
415	Y	95.5	Very high	89.6	Confident	3 Å²	3	59.8 Å²	59.8	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.6	174.3	79.6	-87.4	0	0	0	110.7	L310 D312 S314 G315 F317 I336 V338 I344 I345	L310-Y415 HydrophobicContact CB-CE1 3.87Å; L310-Y415 HydrophobicContact CD1-CD1 4.26Å; L310-Y415 HydrophobicContact CD1-CE1 3.8Å; L310-Y415 HydrophobicContact CG-CE1 4.36Å; D312-Y415 PolarHBondContact N-OH 2.88Å; D312-Y415 WeakPolarHBondContact O-CE2 3.45Å; D312-Y415 PolarHBondContact O-OH 3.18Å; S314-Y415 VanDerWaalsContact CA-O 3.23Å; S314-Y415 WeakPolarHBondContact CA-O 3.23Å; S314-Y415 WeakPolarHBondContact CB-O 3.43Å; G315-Y415 PolarHBondContact N-O 2.01Å; G315-Y415 VanDerWaalsContact O-CD1 3.25Å; G315-Y415 WeakPolarHBondContact O-CD1 3.44Å; G315-Y415 PolarHBondContact O-N 3.34Å; F317-Y415 HydrophobicContact CD1-CD1 4.3Å; F317-Y415 HydrophobicContact CE1-CD1 4.41Å; I336-Y415 HydrophobicContact CD1-CD1 3.99Å; I336-Y415 HydrophobicContact CD1-CD2 4.31Å; I336-Y415 HydrophobicContact CD1-CG 3.79Å; I336-Y415 HydrophobicContact CG2-CD2 3.6Å; I336-Y415 HydrophobicContact CG2-CE2 3.59Å; I336-Y415 HydrophobicContact CG2-CG 4.16Å; V338-Y415 HydrophobicContact CG1-CE2 4.39Å; I344-Y415 HydrophobicContact CG2-CD2 4.23Å; I345-Y415 CarbonylContact O-C 3.58Å; I345-Y415 WeakPolarHBondContact O-CA 3.02Å
416	E	91.9	Very high	89.8	Confident	99 Å²	99	56.4 Å²	56.4	46%	0.463	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.3	175.9	-174.2	175.8	-173	0	0	110.1	I345	I345-E416 PolarHBondContact N-O 2.92Å; I345-E416 PolarHBondContact O-N 2.78Å
417	A	88.8	Confident	90.2	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.6	170.5	0	0	0	0	0	108.9	S313 V338 K343	S313-A417 WeakPolarHBondContact O-CB 2.81Å; S313-A417 PolarHBondContact O-N 3Å; V338-A417 HydrophobicContact CB-CB 3.94Å; V338-A417 HydrophobicContact CG1-CB 3.72Å; V338-A417 HydrophobicContact CG2-CB 4.3Å; K343-A417 CarbonylContact O-C 3.54Å; K343-A417 WeakPolarHBondContact O-CA 3.21Å
418	I	87.4	Confident	90.2	Very high	59 Å²	59	50.2 Å²	50.2	30%	0.303	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.7	172.9	56.8	165.3	0	0	0	108.7	E342 K343 I345	E342-I418 CarbonylContact C-O 3.46Å; E342-I418 VanDerWaalsContact CA-O 3.3Å; E342-I418 WeakPolarHBondContact CA-O 3.06Å; E342-I418 WeakPolarHBondContact CB-O 3.37Å; K343-I418 HydrophobicContact CB-CD1 4.25Å; K343-I418 HydrophobicContact CB-CG1 3.92Å; K343-I418 PolarHBondContact N-O 2.88Å; K343-I418 WeakPolarHBondContact O-CG1 3.35Å; K343-I418 PolarHBondContact O-N 2.78Å; I345-I418 HydrophobicContact CD1-CD1 3.75Å; I345-I418 HydrophobicContact CD1-CG2 4.17Å; I345-I418 HydrophobicContact CG1-CD1 3.95Å; I345-I418 HydrophobicContact CG1-CG1 4.48Å
419	C	86.2	Confident	90.1	Very high	29 Å²	29	50.8 Å²	50.8	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	151.4	177.8	60.1	0	0	0	0	110.9	E342 P433 C445 W447	E342-C419 HydrophobicContact CG-CB 4.16Å; C419-P433 HydrophobicContact CB-CG 4.02Å; C419-C445 HydrophobicContact CB-CB 3.61Å; C419-C445 WeakPolarHBondContact CB-SG 3.1Å; C419-C445 WeakPolarHBondContact SG-CA 3.43Å; C419-C445 WeakPolarHBondContact SG-CB 3.28Å; C419-C445 CovalentContact SG-SG 2.01Å; C419-C445 PolarHBondContact SG-SG 3.19Å; C419-W447 HydrophobicContact CB-CZ2 4.23Å
420	G	83.8	Confident	89.9	Confident	10 Å²	10	44.9 Å²	44.9	10%	0.103	24%	0.238	C	C	.	.			trans	93.2	-167.7	178.8	0	0	0	0	0	115.2	I446	G420-I446 CarbonylContact C-O 3.4Å; G420-I446 WeakPolarHBondContact CA-O 3.36Å
421	G	85	Confident	89.7	Confident	32 Å²	32	45 Å²	45	33%	0.33	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	105	-172.4	-176.3	0	0	0	0	0	113.9	I446 W447 K448	G421-I446 PolarHBondContact N-O 2.9Å; G421-W447 WeakPolarHBondContact O-CA 3.45Å; G421-K448 PolarHBondContact O-N 3.26Å
422	E	87.5	Confident	89.5	Confident	111 Å²	111	45 Å²	45	52%	0.519	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.6	178	-65.2	-171.8	-175.7	0	0	112	K424 K448	E422-K424 WeakPolarHBondContact OE2-CE 3.37Å; E422-K424 IonicContact OE2-NZ 3.55Å; E422-K424 PolarHBondContact OE2-NZ 3.34Å; E422-K448 WeakPolarHBondContact CA-O 3.48Å; E422-K448 HydrophobicContact CG-CB 4.27Å; E422-K448 HydrophobicContact CG-CD 4.37Å
423	V	87	Confident	89.1	Confident	28 Å²	28	44.2 Å²	44.2	17%	0.17	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	104.7	177.2	-175.9	0	0	0	0	108.3	I430 K448 I449 S450 F528	V423-I430 HydrophobicContact CG2-CD1 4.29Å; V423-K448 PolarHBondContact N-O 3.25Å; V423-I449 HydrophobicContact CB-CG1 4.08Å; V423-I449 HydrophobicContact CG2-CG1 4.46Å; V423-I449 CarbonylContact O-C 3.53Å; V423-I449 WeakPolarHBondContact O-CA 3.38Å; V423-S450 PolarHBondContact O-N 3.22Å; V423-F528 HydrophobicContact CG1-CE1 3.96Å; V423-F528 HydrophobicContact CG1-CE2 4.28Å; V423-F528 HydrophobicContact CG1-CZ 3.46Å; V423-F528 VanDerWaalsContact CG1-CZ 3.46Å
424	K	89.5	Confident	88.5	Confident	150 Å²	150	45.3 Å²	45.3	65%	0.652	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	80.2	179.8	-66.8	178	-175.7	160.5	0	109.9	E422 S450	E422-K424 WeakPolarHBondContact OE2-CE 3.37Å; E422-K424 IonicContact OE2-NZ 3.55Å; E422-K424 PolarHBondContact OE2-NZ 3.34Å; K424-S450 WeakPolarHBondContact CA-O 3.43Å
425	R	87.2	Confident	87.9	Confident	128 Å²	128	42.7 Å²	42.7	48%	0.483	22%	0.222	S	C	.	.			trans	-146	151.5	-179.7	-65.4	-172.4	177.1	167.8	3.6	109	D393 N427 S450 F528	D393-R425 IonicContact OD2-CZ 2.85Å; D393-R425 IonicContact OD2-NH1 3.15Å; D393-R425 PolarHBondContact OD2-NH1 2.83Å; D393-R425 IonicContact OD2-NH2 2.81Å; D393-R425 PolarHBondContact OD2-NH2 2.94Å; R425-N427 VanDerWaalsContact C-N 3.27Å; R425-N427 WeakPolarHBondContact CB-O 3.27Å; R425-S450 PolarHBondContact N-O 3.23Å; R425-F528 HydrophobicContact CB-CE2 4.38Å; R425-F528 HydrophobicContact CB-CZ 4.33Å; R425-F528 WeakPolarHBondContact O-CE2 3.32Å
426	D	88.1	Confident	87.3	Confident	48 Å²	48	43.1 Å²	43.1	26%	0.257	23%	0.225	S	C	.	.	S	Bend	trans	-78.8	-11.5	176.6	-86.6	0.9	0	0	0	113.1	T452 F529 K530	D426-T452 VanDerWaalsContact CG-OG1 3.26Å; D426-T452 WeakPolarHBondContact OD1-CB 3.25Å; D426-T452 PolarHBondContact OD1-N 2.74Å; D426-T452 PolarHBondContact OD1-OG1 3.12Å; D426-T452 PolarHBondContact OD2-OG1 2.83Å; D426-F529 CarbonylContact O-C 3.23Å; D426-F529 WeakPolarHBondContact O-CA 3.47Å; D426-K530 HydrophobicContact CB-CB 4.12Å; D426-K530 WeakPolarHBondContact O-CB 3.09Å; D426-K530 PolarHBondContact O-N 3.01Å; D426-K530 IonicContact OD2-NZ 2.68Å; D426-K530 PolarHBondContact OD2-NZ 3.32Å
427	N	87.9	Confident	86.9	Confident	110 Å²	110	41.1 Å²	41.1	59%	0.588	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-159.4	160	172.2	60.4	82.9	0	0	0	109.9	R425 F528 F529	R425-N427 VanDerWaalsContact C-N 3.27Å; R425-N427 WeakPolarHBondContact CB-O 3.27Å; N427-F528 VanDerWaalsContact C-CE2 3.46Å; N427-F528 CarbonylContact C-O 3.42Å; N427-F528 VanDerWaalsContact CA-O 3.26Å; N427-F528 WeakPolarHBondContact CA-O 3.48Å; N427-F529 HydrophobicContact CB-CB 4.11Å
428	G	85.4	Confident	86.7	Confident	24 Å²	24	45.3 Å²	45.3	25%	0.247	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-173.5	173.6	0	0	0	0	0	111.7	N527 F528	G428-N527 WeakPolarHBondContact O-CA 3.33Å; G428-F528 VanDerWaalsContact CA-CE1 3.4Å; G428-F528 PolarHBondContact N-O 2.79Å; G428-F528 VanDerWaalsContact O-CD1 3.32Å; G428-F528 WeakPolarHBondContact O-CD1 3.49Å; G428-F528 PolarHBondContact O-N 2.75Å; G428-F528 VanDerWaalsContact O-O 3.09Å
429	Q	87.1	Confident	86.7	Confident	26 Å²	26	42.7 Å²	42.7	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.2	-179.9	-178.2	166.6	77.8	0	0	109.7	Q431 A526 N527	Q429-Q431 HydrophobicContact CG-CG 4Å; Q429-A526 CarbonylContact C-O 3.58Å; Q429-A526 WeakPolarHBondContact CA-O 3.37Å; Q429-A526 WeakPolarHBondContact CG-O 3.47Å; Q429-N527 WeakPolarHBondContact CG-OD1 3.08Å; Q429-N527 PolarHBondContact NE2-OD1 2.99Å
430	I	90.1	Very high	86.7	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.8	170.9	-54.4	-62.3	0	0	0	108	V423 W447 I449 M511 F524 A526 F528	V423-I430 HydrophobicContact CG2-CD1 4.29Å; I430-W447 HydrophobicContact CD1-CG 4.3Å; I430-W447 HydrophobicContact CG2-CD2 3.67Å; I430-W447 VanDerWaalsContact CG2-CE2 3.44Å; I430-W447 HydrophobicContact CG2-CE3 4.14Å; I430-W447 HydrophobicContact CG2-CG 4.08Å; I430-W447 HydrophobicContact CG2-CH2 4.13Å; I430-W447 HydrophobicContact CG2-CZ2 3.7Å; I430-W447 HydrophobicContact CG2-CZ3 4.35Å; I430-I449 HydrophobicContact CG1-CD1 4.08Å; I430-M511 HydrophobicContact CB-CE 3.65Å; I430-M511 HydrophobicContact CG1-CE 3.88Å; I430-M511 HydrophobicContact CG2-CE 3.34Å; I430-F524 HydrophobicContact CG2-CE2 4.33Å; I430-A526 PolarHBondContact N-O 2.83Å; I430-A526 PolarHBondContact O-N 3.42Å; I430-F528 HydrophobicContact CD1-CD1 4.48Å; I430-F528 HydrophobicContact CD1-CE1 4.15Å; I430-F528 HydrophobicContact CG1-CD1 4.02Å; I430-F528 HydrophobicContact CG1-CE1 4.19Å
431	Q	89.8	Confident	86.9	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.3	175.8	-55	179.3	-8.5	0	0	109.6	T339 P340 Q429 Y435 F524 A525	T339-Q431 HydrophobicContact CG2-CB 3.79Å; P340-Q431 HydrophobicContact CB-CG 4.31Å; P340-Q431 PolarHBondContact O-N 3.09Å; Q429-Q431 HydrophobicContact CG-CG 4Å; Q431-Y435 HydrophobicContact CB-CD1 4.36Å; Q431-Y435 HydrophobicContact CB-CG 4.22Å; Q431-Y435 HydrophobicContact CG-CD1 4.27Å; Q431-Y435 VanDerWaalsContact OE1-CD1 3.31Å; Q431-F524 CarbonylContact C-O 3.17Å; Q431-F524 VanDerWaalsContact CA-O 3.24Å; Q431-F524 WeakPolarHBondContact CA-O 3.33Å; Q431-A525 HydrophobicContact CG-CB 3.93Å
432	S	90.8	Very high	87	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.			trans	-59.7	149.3	167.6	51.5	0	0	0	0	110.1	T339 N434 Y435 A522 G523 F524	T339-S432 WeakPolarHBondContact CG2-O 3.43Å; S432-N434 PolarHBondContact O-N 3.48Å; S432-Y435 VanDerWaalsContact O-CB 3.29Å; S432-Y435 WeakPolarHBondContact O-CB 3.34Å; S432-Y435 PolarHBondContact O-N 3.38Å; S432-Y435 VanDerWaalsContact O-N 3.17Å; S432-A522 PolarHBondContact OG-O 3.34Å; S432-G523 VanDerWaalsContact OG-CA 3.27Å; S432-G523 WeakPolarHBondContact OG-CA 3.43Å; S432-F524 PolarHBondContact N-O 3.5Å; S432-F524 PolarHBondContact OG-N 2.98Å; S432-F524 PolarHBondContact OG-O 3.44Å
433	P	87.5	Confident	87	Confident	3 Å²	3	50 Å²	50	2%	0.019	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	138.2	175	-28.7	36.1	0	0	0	111.9	E342 C419 Y435 Y439 C445 F513	E342-P433 WeakPolarHBondContact OE1-CA 3.22Å; E342-P433 VanDerWaalsContact OE1-CB 3.3Å; E342-P433 WeakPolarHBondContact OE1-CB 3.4Å; C419-P433 HydrophobicContact CB-CG 4.02Å; P433-Y435 PolarHBondContact O-N 3.06Å; P433-Y439 VanDerWaalsContact O-CA 3.31Å; P433-Y439 WeakPolarHBondContact O-CA 3.02Å; P433-Y439 WeakPolarHBondContact O-CB 3.33Å; P433-C445 WeakPolarHBondContact CG-SG 3.43Å; P433-F513 HydrophobicContact CG-CD1 4.42Å; P433-F513 HydrophobicContact CG-CE1 4.5Å
434	N	84.9	Confident	87.3	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.123	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-1	178	-153.6	48.9	0	0	0	117.2	T339 S432 D437 D438	T339-N434 VanDerWaalsContact OG1-C 3.27Å; T339-N434 WeakPolarHBondContact OG1-CA 3.47Å; T339-N434 PolarHBondContact OG1-N 3.24Å; S432-N434 PolarHBondContact O-N 3.48Å; N434-D437 CarbonylContact C-O 3.48Å; N434-D437 PolarHBondContact O-N 2.75Å; N434-D438 PolarHBondContact ND2-O 2.96Å
435	Y	85.3	Confident	87.3	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.02	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	139.2	174.5	-172.7	-85.3	0	0	0	111.4	R140 T339 Q431 S432 P433 S463 A522 A525	R140-Y435 PolarHBondContact NH1-O 2.76Å; R140-Y435 VanDerWaalsContact NH1-O 3.17Å; T339-Y435 PolarHBondContact OG1-N 3.41Å; T339-Y435 PolarHBondContact OG1-O 3.3Å; T339-Y435 VanDerWaalsContact OG1-O 3.1Å; Q431-Y435 HydrophobicContact CB-CD1 4.36Å; Q431-Y435 HydrophobicContact CB-CG 4.22Å; Q431-Y435 HydrophobicContact CG-CD1 4.27Å; Q431-Y435 VanDerWaalsContact OE1-CD1 3.31Å; S432-Y435 VanDerWaalsContact O-CB 3.29Å; S432-Y435 WeakPolarHBondContact O-CB 3.34Å; S432-Y435 PolarHBondContact O-N 3.38Å; S432-Y435 VanDerWaalsContact O-N 3.17Å; P433-Y435 PolarHBondContact O-N 3.06Å; Y435-S463 VanDerWaalsContact CE2-OG 3.27Å; Y435-S463 WeakPolarHBondContact CE2-OG 3.42Å; Y435-S463 VanDerWaalsContact CZ-OG 3.27Å; Y435-S463 WeakPolarHBondContact OH-CB 3.36Å; Y435-S463 PolarHBondContact OH-OG 2.91Å; Y435-A522 VanDerWaalsContact CD2-O 3.22Å; Y435-A522 WeakPolarHBondContact CD2-O 3.18Å; Y435-A525 HydrophobicContact CD1-CB 4.37Å; Y435-A525 HydrophobicContact CE1-CB 3.93Å; Y435-A525 HydrophobicContact CE2-CB 4.27Å
436	P	82.4	Confident	87.6	Confident	12 Å²	12	42.5 Å²	42.5	8%	0.078	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.9	-3.1	7.2	34.1	-36.4	0	0	0	116	A133 R136 Q137	A133-P436 HydrophobicContact CB-CB 3.6Å; R136-P436 HydrophobicContact CB-CG 4.21Å; Q137-P436 HydrophobicContact CB-CG 4.24Å
437	D	83.3	Confident	87.9	Confident	56 Å²	56	40.3 Å²	40.3	30%	0.299	21%	0.214	S	C	.	.	S	Bend	trans	-79.8	167.1	176.2	-57.8	-54.6	0	0	0	110.1	Q137 N434 Y439	Q137-D437 PolarHBondContact NE2-OD1 2.93Å; N434-D437 CarbonylContact C-O 3.48Å; N434-D437 PolarHBondContact O-N 2.75Å; D437-Y439 PolarHBondContact O-N 3.02Å
438	D	85.3	Confident	88.2	Confident	92 Å²	92	38.9 Å²	38.9	49%	0.492	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-57.7	136.2	-175.2	-66.4	-23.9	0	0	0	112.2	N434 N520 K521 A522	N434-D438 PolarHBondContact ND2-O 2.96Å; D438-N520 HydrophobicContact CB-CB 4.1Å; D438-K521 CarbonylContact C-O 3.3Å; D438-K521 WeakPolarHBondContact CA-O 3.45Å; D438-K521 WeakPolarHBondContact OD1-CA 3.25Å; D438-A522 PolarHBondContact OD1-N 3.42Å
439	Y	87.8	Confident	88.6	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.012	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-64.3	156.5	178	56.3	-102.4	0	0	0	111.7	P433 D437 E467 D475 F513 V519 N520 K521	P433-Y439 VanDerWaalsContact O-CA 3.31Å; P433-Y439 WeakPolarHBondContact O-CA 3.02Å; P433-Y439 WeakPolarHBondContact O-CB 3.33Å; D437-Y439 PolarHBondContact O-N 3.02Å; Y439-E467 PolarHBondContact OH-N 3.14Å; Y439-E467 VanDerWaalsContact OH-N 3.17Å; Y439-D475 WeakPolarHBondContact CE2-OD2 3.4Å; Y439-D475 PolarHBondContact OH-OD2 3.45Å; Y439-F513 AromaticContact CD1-CZ 3.9Å; Y439-F513 HydrophobicContact CD1-CZ 3.9Å; Y439-F513 HydrophobicContact CD2-CE1 4.33Å; Y439-F513 AromaticContact CD2-CZ 3.85Å; Y439-F513 HydrophobicContact CD2-CZ 3.85Å; Y439-F513 HydrophobicContact CE1-CZ 4.16Å; Y439-F513 HydrophobicContact CE2-CZ 4.09Å; Y439-F513 HydrophobicContact CG-CE1 4.19Å; Y439-F513 AromaticContact CG-CZ 3.76Å; Y439-F513 HydrophobicContact CG-CZ 3.76Å; Y439-V519 PolarHBondContact OH-O 3.25Å; Y439-N520 HydrophobicContact CD2-CB 4.04Å; Y439-N520 WeakPolarHBondContact CD2-ND2 3.42Å; Y439-N520 HydrophobicContact CE2-CB 3.95Å; Y439-N520 VanDerWaalsContact CE2-ND2 3.31Å; Y439-N520 WeakPolarHBondContact CE2-ND2 3.42Å; Y439-N520 WeakPolarHBondContact O-CB 3.43Å; Y439-N520 PolarHBondContact O-ND2 3.38Å; Y439-K521 WeakPolarHBondContact CD1-O 3.15Å; Y439-K521 HydrophobicContact CE1-CB 3.92Å; Y439-K521 WeakPolarHBondContact CE1-O 3.34Å; Y439-K521 PolarHBondContact N-O 2.88Å
440	R	84.7	Confident	88.9	Confident	113 Å²	113	37.3 Å²	37.3	43%	0.426	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-78.4	148.3	178.7	-66.7	-78.7	-179.5	154.7	-1.5	110.9	K443 S515	R440-K443 HydrophobicContact CB-CG 3.95Å; R440-K443 WeakPolarHBondContact O-CG 3.33Å; R440-S515 PolarHBondContact O-OG 2.86Å
441	P	87.9	Confident	89.1	Confident	48 Å²	48	37.6 Å²	37.6	31%	0.312	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	159.2	173.4	29.2	-34.8	0	0	0	111.7	K443 D516	P441-K443 VanDerWaalsContact C-N 3.32Å; P441-K443 PolarHBondContact O-N 2.94Å; P441-D516 CarbonylContact C-O 3.57Å; P441-D516 WeakPolarHBondContact CA-O 3.5Å; P441-D516 WeakPolarHBondContact CB-O 3.28Å
442	N	87.6	Confident	89.2	Confident	120 Å²	120	40.6 Å²	40.6	64%	0.642	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	35.8	176.6	-54.4	-66.2	0	0	0	114.4	S515 D516 G517	N442-S515 WeakPolarHBondContact CA-O 3.19Å; N442-S515 PolarHBondContact N-O 2.83Å; N442-S515 PolarHBondContact N-OG 3.35Å; N442-D516 PolarHBondContact N-O 3.49Å; N442-G517 PolarHBondContact OD1-N 3.47Å
443	K	87.8	Confident	89.1	Confident	55 Å²	55	48.7 Å²	48.7	24%	0.239	25%	0.249	C	C	.	.			trans	-97.6	140.4	178	-68.9	-64.1	-174.5	176.4	0	110.8	R440 P441 V514 S515	R440-K443 HydrophobicContact CB-CG 3.95Å; R440-K443 WeakPolarHBondContact O-CG 3.33Å; P441-K443 VanDerWaalsContact C-N 3.32Å; P441-K443 PolarHBondContact O-N 2.94Å; K443-V514 CarbonylContact O-C 3.59Å; K443-V514 VanDerWaalsContact O-CA 3.31Å; K443-V514 WeakPolarHBondContact O-CA 3.47Å; K443-S515 WeakPolarHBondContact CB-OG 3.24Å; K443-S515 PolarHBondContact N-O 2.94Å; K443-S515 PolarHBondContact N-OG 2.77Å; K443-S515 PolarHBondContact O-N 3.07Å
444	V	92.1	Very high	89	Confident	88 Å²	88	51.9 Å²	51.9	53%	0.533	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.2	170.7	-178.2	0	0	0	0	107.9	I446 F513 V514	V444-I446 HydrophobicContact CG1-CG1 4.44Å; V444-F513 WeakPolarHBondContact CA-O 3.48Å; V444-V514 HydrophobicContact CG1-CG2 4.41Å; V444-V514 HydrophobicContact CG2-CG1 4.42Å; V444-V514 HydrophobicContact CG2-CG2 4.49Å
445	C	91.4	Very high	89.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.4	-176.8	-53.3	0	0	0	0	109.3	C419 P433 W447 K512 F513	C419-C445 HydrophobicContact CB-CB 3.61Å; C419-C445 WeakPolarHBondContact CB-SG 3.1Å; C419-C445 WeakPolarHBondContact SG-CA 3.43Å; C419-C445 WeakPolarHBondContact SG-CB 3.28Å; C419-C445 CovalentContact SG-SG 2.01Å; C419-C445 PolarHBondContact SG-SG 3.19Å; P433-C445 WeakPolarHBondContact CG-SG 3.43Å; C445-W447 HydrophobicContact CB-CE3 4.22Å; C445-W447 HydrophobicContact CB-CH2 3.25Å; C445-W447 HydrophobicContact CB-CZ2 3.67Å; C445-W447 HydrophobicContact CB-CZ3 3.56Å; C445-K512 CarbonylContact O-C 3.58Å; C445-K512 WeakPolarHBondContact O-CA 3.27Å; C445-F513 HydrophobicContact CB-CB 4.26Å; C445-F513 PolarHBondContact N-O 3.05Å; C445-F513 PolarHBondContact O-N 3.09Å
446	I	93.6	Very high	89.5	Confident	61 Å²	61	56.9 Å²	56.9	31%	0.313	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.2	-179.1	-59.6	173.3	0	0	0	109.3	G420 G421 V444 W510 M511 K512	G420-I446 CarbonylContact C-O 3.4Å; G420-I446 WeakPolarHBondContact CA-O 3.36Å; G421-I446 PolarHBondContact N-O 2.9Å; V444-I446 HydrophobicContact CG1-CG1 4.44Å; I446-W510 HydrophobicContact CD1-CZ2 4.29Å; I446-W510 HydrophobicContact CG1-CZ2 4.38Å; I446-W510 HydrophobicContact CG2-CD2 4.48Å; I446-W510 HydrophobicContact CG2-CZ2 3.78Å; I446-M511 CarbonylContact C-O 3.45Å; I446-M511 WeakPolarHBondContact CA-O 3.38Å; I446-K512 HydrophobicContact CD1-CD 4.46Å; I446-K512 HydrophobicContact CG1-CB 4.26Å; I446-K512 HydrophobicContact CG1-CD 4.3Å; I446-K512 HydrophobicContact CG1-CG 3.99Å
447	W	93.1	Very high	90	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.3	175.6	-58.8	-91.3	0	0	0	111	G341 C419 G421 I430 C445 I449 M511 F513 F524	G341-W447 PolarHBondContact O-NE1 2.01Å; C419-W447 HydrophobicContact CB-CZ2 4.23Å; G421-W447 WeakPolarHBondContact O-CA 3.45Å; I430-W447 HydrophobicContact CD1-CG 4.3Å; I430-W447 HydrophobicContact CG2-CD2 3.67Å; I430-W447 VanDerWaalsContact CG2-CE2 3.44Å; I430-W447 HydrophobicContact CG2-CE3 4.14Å; I430-W447 HydrophobicContact CG2-CG 4.08Å; I430-W447 HydrophobicContact CG2-CH2 4.13Å; I430-W447 HydrophobicContact CG2-CZ2 3.7Å; I430-W447 HydrophobicContact CG2-CZ3 4.35Å; C445-W447 HydrophobicContact CB-CE3 4.22Å; C445-W447 HydrophobicContact CB-CH2 3.25Å; C445-W447 HydrophobicContact CB-CZ2 3.67Å; C445-W447 HydrophobicContact CB-CZ3 3.56Å; W447-I449 HydrophobicContact CB-CG1 4.44Å; W447-M511 HydrophobicContact CB-CE 4.46Å; W447-M511 HydrophobicContact CD2-CE 4.13Å; W447-M511 HydrophobicContact CE3-CB 4.4Å; W447-M511 HydrophobicContact CE3-CE 3.76Å; W447-M511 HydrophobicContact CE3-CG 4.22Å; W447-M511 HydrophobicContact CG-CE 4.45Å; W447-M511 HydrophobicContact CZ3-CE 4.28Å; W447-M511 PolarHBondContact N-O 3.05Å; W447-M511 PolarHBondContact O-N 3.42Å; W447-F513 HydrophobicContact CH2-CB 4Å; W447-F513 HydrophobicContact CZ3-CB 3.71Å; W447-F524 AromaticContact CH2-CZ 3.98Å; W447-F524 HydrophobicContact CH2-CZ 3.98Å; W447-F524 HydrophobicContact CZ3-CZ 4.03Å
448	K	93.9	Very high	90.5	Very high	80 Å²	80	53.7 Å²	53.7	35%	0.348	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	96	174.2	-67.9	-179.2	-176.6	179.1	0	108.7	G421 E422 V423 L483	G421-K448 PolarHBondContact O-N 3.26Å; E422-K448 WeakPolarHBondContact CA-O 3.48Å; E422-K448 HydrophobicContact CG-CB 4.27Å; E422-K448 HydrophobicContact CG-CD 4.37Å; V423-K448 PolarHBondContact N-O 3.25Å; K448-L483 HydrophobicContact CB-CD2 4.13Å
449	I	94	Very high	90.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.6	-174.4	-62.8	157.5	0	0	0	108.8	V423 I430 W447 V457 H508 L509 M511 F528	V423-I449 HydrophobicContact CB-CG1 4.08Å; V423-I449 HydrophobicContact CG2-CG1 4.46Å; V423-I449 CarbonylContact O-C 3.53Å; V423-I449 WeakPolarHBondContact O-CA 3.38Å; I430-I449 HydrophobicContact CG1-CD1 4.08Å; W447-I449 HydrophobicContact CB-CG1 4.44Å; I449-V457 HydrophobicContact CG2-CG1 4.15Å; I449-H508 WeakPolarHBondContact O-CA 3.32Å; I449-L509 HydrophobicContact CB-CB 4.22Å; I449-L509 HydrophobicContact CD1-CD2 3.87Å; I449-L509 PolarHBondContact N-O 3.14Å; I449-L509 PolarHBondContact O-N 2.75Å; I449-M511 HydrophobicContact CD1-CE 4.41Å; I449-F528 HydrophobicContact CD1-CD1 4.24Å; I449-F528 HydrophobicContact CD1-CG 4.35Å; I449-F528 HydrophobicContact CG2-CD2 3.55Å; I449-F528 HydrophobicContact CG2-CE2 3.83Å; I449-F528 HydrophobicContact CG2-CG 3.95Å; I449-F528 HydrophobicContact CG2-CZ 4.43Å
450	S	94.2	Very high	91	Very high	17 Å²	17	50.3 Å²	50.3	12%	0.119	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.7	176.9	-57.2	0	0	0	0	109.9	V423 K424 R425 N507 H508	V423-S450 PolarHBondContact O-N 3.22Å; K424-S450 WeakPolarHBondContact CA-O 3.43Å; R425-S450 PolarHBondContact N-O 3.23Å; S450-N507 WeakPolarHBondContact CA-O 3.43Å; S450-H508 PolarHBondContact OG-CE1 3.21Å; S450-H508 PolarHBondContact OG-ND1 3.11Å
451	V	93.1	Very high	91.3	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.055	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-99.9	173.6	172.3	-59.8	0	0	0	0	110.2	Q453 F455 V457 N507 K530	V451-Q453 PolarHBondContact O-N 3.49Å; V451-F455 HydrophobicContact CG2-CB 4.41Å; V451-V457 HydrophobicContact CG1-CG2 4.01Å; V451-V457 HydrophobicContact CG2-CG2 3.86Å; V451-N507 HydrophobicContact CG2-CB 3.92Å; V451-N507 PolarHBondContact N-O 3.01Å; V451-N507 PolarHBondContact O-ND2 3.08Å; V451-K530 HydrophobicContact CB-CB 4.33Å; V451-K530 HydrophobicContact CG1-CB 4.4Å
452	T	92.7	Very high	91.1	Very high	66 Å²	66	45.1 Å²	45.1	41%	0.405	25%	0.246	S	C	.	.	S	Bend	trans	-49.5	139.1	175.3	-61.7	0	0	0	0	112.1	D426 F455	D426-T452 VanDerWaalsContact CG-OG1 3.26Å; D426-T452 WeakPolarHBondContact OD1-CB 3.25Å; D426-T452 PolarHBondContact OD1-N 2.74Å; D426-T452 PolarHBondContact OD1-OG1 3.12Å; D426-T452 PolarHBondContact OD2-OG1 2.83Å; T452-F455 HydrophobicContact CG2-CD2 4.05Å; T452-F455 HydrophobicContact CG2-CE2 4.1Å; T452-F455 PolarHBondContact O-N 3.33Å
453	Q	89.5	Confident	91.1	Very high	170 Å²	170	39.9 Å²	39.9	79%	0.794	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	141.5	-179.7	-170.3	175.6	11.2	0	0	111.8	V451 F455	V451-Q453 PolarHBondContact O-N 3.49Å; Q453-F455 WeakPolarHBondContact O-CD2 3.44Å
454	G	83.8	Confident	91.3	Very high	71 Å²	71	37.6 Å²	37.6	73%	0.732	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	1.3	-178.4	0	0	0	0	0	114.6
455	F	89.1	Confident	91.2	Very high	65 Å²	65	36.8 Å²	36.8	29%	0.285	20%	0.2	S	C	.	.			trans	-119.5	167.1	175.3	-62.1	-90.7	0	0	0	111.1	V451 T452 Q453 N507 K530 T532	V451-F455 HydrophobicContact CG2-CB 4.41Å; T452-F455 HydrophobicContact CG2-CD2 4.05Å; T452-F455 HydrophobicContact CG2-CE2 4.1Å; T452-F455 PolarHBondContact O-N 3.33Å; Q453-F455 WeakPolarHBondContact O-CD2 3.44Å; F455-N507 WeakPolarHBondContact O-CA 3.35Å; F455-N507 WeakPolarHBondContact O-CB 2.93Å; F455-N507 PolarHBondContact O-N 3.43Å; F455-K530 HydrophobicContact CB-CD 3.87Å; F455-K530 HydrophobicContact CB-CG 3.43Å; F455-K530 VanDerWaalsContact CB-CG 3.43Å; F455-K530 HydrophobicContact CD1-CD 3.81Å; F455-K530 HydrophobicContact CD1-CG 3.81Å; F455-K530 HydrophobicContact CD2-CD 3.69Å; F455-K530 HydrophobicContact CD2-CG 4.25Å; F455-K530 HydrophobicContact CE1-CD 4.24Å; F455-K530 HydrophobicContact CE2-CD 4.13Å; F455-K530 HydrophobicContact CG-CD 3.51Å; F455-K530 HydrophobicContact CG-CG 3.58Å; F455-K530 HydrophobicContact CZ-CD 4.38Å; F455-T532 HydrophobicContact CD1-CG2 4.3Å; F455-T532 VanDerWaalsContact CD1-OG1 3.27Å; F455-T532 WeakPolarHBondContact CD1-OG1 3.24Å; F455-T532 HydrophobicContact CE1-CG2 3.98Å; F455-T532 VanDerWaalsContact CE1-OG1 3.31Å; F455-T532 WeakPolarHBondContact CE1-OG1 3.4Å
456	H	91.3	Very high	91.4	Very high	68 Å²	68	36.8 Å²	36.8	32%	0.315	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	163.9	179.2	-61.4	-162.9	0	0	0	109.7	K503 T504 E531	H456-K503 HydrophobicContact CB-CG 4.41Å; H456-K503 WeakPolarHBondContact ND1-CE 3.46Å; H456-T504 WeakPolarHBondContact CB-O 3.25Å; H456-T504 PolarHBondContact ND1-O 3.11Å; H456-E531 HydrophobicContact CB-CB 4.15Å; H456-E531 HydrophobicContact CB-CG 4.27Å; H456-E531 PolarHBondContact N-O 2.89Å; H456-E531 VanDerWaalsContact N-O 3.16Å; H456-E531 WeakPolarHBondContact O-CB 3.07Å; H456-E531 PolarHBondContact O-N 3.08Å
457	V	93.4	Very high	91.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.8	171.4	-170.8	0	0	0	0	108	I449 V451 T504 L509 F528	I449-V457 HydrophobicContact CG2-CG1 4.15Å; V451-V457 HydrophobicContact CG1-CG2 4.01Å; V451-V457 HydrophobicContact CG2-CG2 3.86Å; V457-T504 HydrophobicContact CB-CG2 3.99Å; V457-T504 WeakPolarHBondContact CB-OG1 3.49Å; V457-T504 PolarHBondContact N-OG1 3.12Å; V457-T504 PolarHBondContact O-N 3.1Å; V457-T504 PolarHBondContact O-OG1 3.18Å; V457-L509 HydrophobicContact CB-CB 4.02Å; V457-L509 HydrophobicContact CG1-CB 3.9Å; V457-L509 HydrophobicContact CG1-CD2 3.95Å; V457-L509 HydrophobicContact CG1-CG 4.49Å; V457-L509 HydrophobicContact CG2-CB 4.08Å; V457-F528 HydrophobicContact CG1-CB 4.26Å
458	G	93.4	Very high	91.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.9	164.6	0	0	0	0	0	109.7	I502 F528 F529	G458-I502 CarbonylContact C-O 3.54Å; G458-I502 WeakPolarHBondContact CA-O 3.46Å; G458-F528 CarbonylContact O-C 3.41Å; G458-F528 WeakPolarHBondContact O-CA 3.5Å; G458-F529 PolarHBondContact N-O 3.17Å; G458-F529 PolarHBondContact O-N 3.23Å
459	L	93.1	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.3	177	-175.9	77.5	0	0	0	109.7	F461 V479 I502 L509 M511 A526 N527 F528	L459-F461 HydrophobicContact CD2-CE2 3.97Å; L459-F461 HydrophobicContact CD2-CZ 3.86Å; L459-F461 HydrophobicContact CG-CE2 4.4Å; L459-V479 HydrophobicContact CD2-CG1 4.22Å; L459-V479 HydrophobicContact CD2-CG2 4.37Å; L459-I502 HydrophobicContact CB-CB 4.25Å; L459-I502 HydrophobicContact CD2-CD1 4.34Å; L459-I502 PolarHBondContact N-O 3.21Å; L459-I502 PolarHBondContact O-N 3.16Å; L459-L509 HydrophobicContact CB-CD2 4.31Å; L459-L509 HydrophobicContact CD1-CD2 4.21Å; L459-L509 HydrophobicContact CD2-CD2 4.18Å; L459-L509 HydrophobicContact CG-CD2 4.48Å; L459-M511 HydrophobicContact CD2-SD 4.3Å; L459-A526 HydrophobicContact CD1-CB 3.91Å; L459-A526 HydrophobicContact CG-CB 4.45Å; L459-N527 CarbonylContact C-O 3.4Å; L459-N527 WeakPolarHBondContact CA-O 3.34Å; L459-F528 HydrophobicContact CD1-CB 4.06Å
460	T	91.2	Very high	90.9	Very high	25 Å²	25	49.2 Å²	49.2	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.4	178.1	62.9	0	0	0	0	110.9	D501 A526 N527 F529 L551	T460-D501 WeakPolarHBondContact CB-OD1 3.37Å; T460-D501 HydrophobicContact CG2-CB 4.1Å; T460-D501 WeakPolarHBondContact CG2-OD1 3.5Å; T460-A526 CarbonylContact O-C 3.52Å; T460-A526 VanDerWaalsContact O-CA 3.29Å; T460-A526 WeakPolarHBondContact O-CA 3.37Å; T460-N527 PolarHBondContact N-O 2.98Å; T460-N527 PolarHBondContact O-N 2.8Å; T460-F529 HydrophobicContact CG2-CE1 3.78Å; T460-F529 HydrophobicContact CG2-CZ 3.99Å; T460-L551 HydrophobicContact CG2-CD2 3.73Å
461	F	90.3	Very high	90.7	Very high	3 Å²	3	52 Å²	52	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.1	-179.9	-68.8	-88.6	0	0	0	111.3	L459 F464 L477 K498 P499 I502 F524 A526	L459-F461 HydrophobicContact CD2-CE2 3.97Å; L459-F461 HydrophobicContact CD2-CZ 3.86Å; L459-F461 HydrophobicContact CG-CE2 4.4Å; F461-F464 AromaticContact CD1-CD2 3.76Å; F461-F464 HydrophobicContact CD1-CD2 3.76Å; F461-F464 HydrophobicContact CD1-CE2 4.42Å; F461-F464 AromaticContact CE1-CD2 3.9Å; F461-F464 HydrophobicContact CE1-CD2 3.9Å; F461-F464 HydrophobicContact CE1-CE2 4.1Å; F461-L477 HydrophobicContact CE1-CD2 3.4Å; F461-L477 VanDerWaalsContact CE1-CD2 3.4Å; F461-L477 HydrophobicContact CZ-CD2 3.58Å; F461-K498 HydrophobicContact CB-CD 4.15Å; F461-K498 HydrophobicContact CB-CG 3.72Å; F461-K498 WeakPolarHBondContact O-CD 3.15Å; F461-K498 WeakPolarHBondContact O-CE 3.39Å; F461-K498 PolarHBondContact O-NZ 3.14Å; F461-P499 HydrophobicContact CD2-CB 3.73Å; F461-P499 HydrophobicContact CD2-CG 3.97Å; F461-P499 HydrophobicContact CE2-CB 3.72Å; F461-P499 HydrophobicContact CE2-CG 3.94Å; F461-P499 HydrophobicContact CG-CB 4.49Å; F461-P499 HydrophobicContact CG-CG 4.3Å; F461-P499 HydrophobicContact CZ-CB 4.47Å; F461-P499 HydrophobicContact CZ-CG 4.25Å; F461-I502 HydrophobicContact CE2-CD1 4.29Å; F461-F524 HydrophobicContact CE1-CD2 4.32Å; F461-A526 HydrophobicContact CD1-CB 3.72Å; F461-A526 HydrophobicContact CE1-CB 3.73Å; F461-A526 HydrophobicContact CG-CB 4.4Å; F461-A526 HydrophobicContact CZ-CB 4.41Å
462	Q	85.6	Confident	90.6	Very high	48 Å²	48	52.4 Å²	52.4	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-35	171.4	-63.5	-168.6	-27.7	0	0	111.8	G129 A525 N527	G129-Q462 VanDerWaalsContact CA-O 3.31Å; G129-Q462 WeakPolarHBondContact CA-O 3.06Å; Q462-A525 HydrophobicContact CB-CB 4.38Å; Q462-A525 PolarHBondContact N-O 3.46Å; Q462-N527 PolarHBondContact NE2-ND2 3.08Å
463	S	86.6	Confident	90.5	Very high	10 Å²	10	51.8 Å²	51.8	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.1	177.3	57.3	0	0	0	0	109.3	Y435 F524 A525	Y435-S463 VanDerWaalsContact CE2-OG 3.27Å; Y435-S463 WeakPolarHBondContact CE2-OG 3.42Å; Y435-S463 VanDerWaalsContact CZ-OG 3.27Å; Y435-S463 WeakPolarHBondContact OH-CB 3.36Å; Y435-S463 PolarHBondContact OH-OG 2.91Å; S463-F524 WeakPolarHBondContact O-CA 3.04Å; S463-F524 WeakPolarHBondContact O-CB 3.02Å; S463-A525 PolarHBondContact N-O 3.4Å; S463-A525 PolarHBondContact O-N 2.7Å; S463-A525 VanDerWaalsContact O-N 3.12Å; S463-A525 WeakPolarHBondContact OG-CB 3.38Å; S463-A525 PolarHBondContact OG-N 2.83Å
464	F	91.6	Very high	90.6	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	106.3	179.6	-163.6	-90.6	0	0	0	110.8	F461 I466 L477 F493 P499 F524	F461-F464 AromaticContact CD1-CD2 3.76Å; F461-F464 HydrophobicContact CD1-CD2 3.76Å; F461-F464 HydrophobicContact CD1-CE2 4.42Å; F461-F464 AromaticContact CE1-CD2 3.9Å; F461-F464 HydrophobicContact CE1-CD2 3.9Å; F461-F464 HydrophobicContact CE1-CE2 4.1Å; F464-I466 HydrophobicContact CE1-CB 4.36Å; F464-I466 HydrophobicContact CE1-CD1 4.11Å; F464-I466 HydrophobicContact CE1-CG1 4.22Å; F464-I466 HydrophobicContact CE2-CD1 3.69Å; F464-I466 HydrophobicContact CE2-CG1 4.38Å; F464-I466 HydrophobicContact CZ-CB 4.48Å; F464-I466 HydrophobicContact CZ-CD1 3.41Å; F464-I466 VanDerWaalsContact CZ-CD1 3.41Å; F464-I466 HydrophobicContact CZ-CG1 4.01Å; F464-L477 HydrophobicContact CE2-CB 4.1Å; F464-L477 HydrophobicContact CE2-CD2 3.88Å; F464-L477 HydrophobicContact CZ-CB 4.28Å; F464-F493 HydrophobicContact CE1-CB 4.04Å; F464-F493 HydrophobicContact CE2-CB 4.09Å; F464-F493 HydrophobicContact CZ-CB 3.4Å; F464-P499 HydrophobicContact CD1-CG 4.3Å; F464-P499 HydrophobicContact CD2-CG 3.86Å; F464-P499 HydrophobicContact CE1-CG 4.33Å; F464-P499 HydrophobicContact CE2-CG 3.9Å; F464-P499 VanDerWaalsContact CG-CD 3.44Å; F464-P499 HydrophobicContact CG-CG 4.07Å; F464-P499 HydrophobicContact CZ-CG 4.14Å; F464-F524 HydrophobicContact CD2-CB 3.68Å; F464-F524 HydrophobicContact CD2-CG 4.48Å; F464-F524 HydrophobicContact CE2-CB 4.18Å; F464-F524 HydrophobicContact CG-CB 4.49Å
465	E	91.3	Very high	91.2	Very high	71 Å²	71	45.3 Å²	45.3	33%	0.332	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	91.7	177.9	-63.8	-172.6	-140.5	0	0	109.1	Y496 K521 G523	E465-Y496 HydrophobicContact CB-CD1 4.22Å; E465-Y496 HydrophobicContact CG-CD1 4.13Å; E465-K521 HydrophobicContact CB-CB 4.39Å; E465-K521 WeakPolarHBondContact O-CB 3.35Å; E465-G523 PolarHBondContact N-O 2.01Å; E465-G523 WeakPolarHBondContact O-CA 3.42Å; E465-G523 PolarHBondContact O-N 2.8Å
466	I	93.9	Very high	91.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.			trans	-115.8	155.2	176	-61.5	-179.1	0	0	0	107.9	F464 R468 D475 L477 C494 G495 F513 F524	F464-I466 HydrophobicContact CE1-CB 4.36Å; F464-I466 HydrophobicContact CE1-CD1 4.11Å; F464-I466 HydrophobicContact CE1-CG1 4.22Å; F464-I466 HydrophobicContact CE2-CD1 3.69Å; F464-I466 HydrophobicContact CE2-CG1 4.38Å; F464-I466 HydrophobicContact CZ-CB 4.48Å; F464-I466 HydrophobicContact CZ-CD1 3.41Å; F464-I466 VanDerWaalsContact CZ-CD1 3.41Å; F464-I466 HydrophobicContact CZ-CG1 4.01Å; I466-R468 PolarHBondContact O-N 3.17Å; I466-D475 HydrophobicContact CG2-CB 3.43Å; I466-D475 VanDerWaalsContact CG2-CB 3.43Å; I466-D475 WeakPolarHBondContact CG2-O 3.06Å; I466-L477 HydrophobicContact CD1-CB 3.93Å; I466-C494 HydrophobicContact CG2-CB 4.33Å; I466-G495 PolarHBondContact N-O 3.33Å; I466-G495 CarbonylContact O-C 3.55Å; I466-G495 WeakPolarHBondContact O-CA 3.36Å; I466-G495 PolarHBondContact O-N 3.35Å; I466-G495 VanDerWaalsContact O-N 3.09Å; I466-F513 HydrophobicContact CD1-CD2 4.13Å; I466-F513 HydrophobicContact CD1-CE2 3.88Å; I466-F513 HydrophobicContact CG1-CE2 4.32Å; I466-F513 HydrophobicContact CG2-CE2 4.42Å; I466-F524 HydrophobicContact CD1-CD1 3.91Å
467	E	94.5	Very high	91.8	Very high	21 Å²	21	40.3 Å²	40.3	10%	0.098	20%	0.203	C	C	.	.			trans	-47	130.6	174.7	-172.2	-177.3	-164.3	0	0	111.7	Y439 Y474 D475 C494 G495 V519	Y439-E467 PolarHBondContact OH-N 3.14Å; Y439-E467 VanDerWaalsContact OH-N 3.17Å; E467-Y474 WeakPolarHBondContact OE2-CB 3.27Å; E467-D475 HydrophobicContact CB-CB 3.87Å; E467-C494 WeakPolarHBondContact O-CB 3.46Å; E467-G495 PolarHBondContact O-N 3.12Å; E467-V519 HydrophobicContact CB-CG1 4.34Å; E467-V519 HydrophobicContact CG-CB 4.04Å; E467-V519 HydrophobicContact CG-CG1 3.74Å; E467-V519 WeakPolarHBondContact OE1-CB 3.49Å; E467-V519 WeakPolarHBondContact OE1-CG2 3.43Å
468	R	91.5	Very high	92	Very high	167 Å²	167	40.9 Å²	40.9	63%	0.63	21%	0.206	S	C	*	.			trans	-85	128.5	-176.7	-174.8	178.7	174.9	174.9	1.3	110.4	I466 Y496	I466-R468 PolarHBondContact O-N 3.17Å; R468-Y496 HydrophobicContact CB-CE2 4.18Å
469	H	92.6	Very high	92.2	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.255	21%	0.206	S	C	.	.			trans	-148.8	142.5	169.5	-175.5	-91.4	0	0	0	110	S471 C472 A473 Y474 C494	H469-S471 PolarHBondContact CE1-OG 3.12Å; H469-S471 PolarHBondContact ND1-N 3.42Å; H469-S471 VanDerWaalsContact ND1-N 3.17Å; H469-S471 PolarHBondContact ND1-OG 2.98Å; H469-S471 VanDerWaalsContact ND1-OG 3.11Å; H469-S471 PolarHBondContact O-N 3.24Å; H469-S471 VanDerWaalsContact O-N 3.09Å; H469-C472 PolarHBondContact O-N 3.11Å; H469-A473 PolarHBondContact ND1-N 3.17Å; H469-Y474 HydrophobicContact CB-CD2 3.96Å; H469-Y474 HydrophobicContact CB-CE2 4.35Å; H469-Y474 AromaticContact CD2-CD2 3.74Å; H469-Y474 AromaticContact CD2-CE2 3.28Å; H469-Y474 WeakPolarHBondContact CD2-CE2 3.23Å; H469-Y474 AromaticContact CD2-CZ 3.69Å; H469-C494 PolarHBondContact O-SG 2.76Å
470	D	87.4	Confident	92.4	Very high	160 Å²	160	43 Å²	43	86%	0.856	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.5	-173.5	-66.9	-24.6	0	0	0	113.7
471	S	88.8	Confident	92.6	Very high	76 Å²	76	42.9 Å²	42.9	53%	0.531	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	10.6	175.9	75.3	0	0	0	0	114.4	H469 A473	H469-S471 PolarHBondContact CE1-OG 3.12Å; H469-S471 PolarHBondContact ND1-N 3.42Å; H469-S471 VanDerWaalsContact ND1-N 3.17Å; H469-S471 PolarHBondContact ND1-OG 2.98Å; H469-S471 VanDerWaalsContact ND1-OG 3.11Å; H469-S471 PolarHBondContact O-N 3.24Å; H469-S471 VanDerWaalsContact O-N 3.09Å; S471-A473 VanDerWaalsContact C-N 3.27Å; S471-A473 PolarHBondContact O-N 3.09Å
472	C	91.8	Very high	92.9	Very high	16 Å²	16	43.2 Å²	43.2	11%	0.108	22%	0.216	C	C	.	.			trans	50.3	43.5	-175.1	-56.6	0	0	0	0	114.1	H469 Y476 R492 C494	H469-C472 PolarHBondContact O-N 3.11Å; C472-Y476 WeakPolarHBondContact O-CD1 3.45Å; C472-R492 HydrophobicContact CB-CG 4.23Å; C472-R492 VanDerWaalsContact O-CZ 3.27Å; C472-R492 PolarHBondContact O-NE 2.94Å; C472-R492 PolarHBondContact O-NH2 3.01Å; C472-C494 WeakPolarHBondContact CA-SG 3.47Å; C472-C494 HydrophobicContact CB-CB 3.55Å; C472-C494 WeakPolarHBondContact CB-SG 3.33Å; C472-C494 WeakPolarHBondContact SG-CB 3.1Å; C472-C494 PolarHBondContact SG-N 2.89Å; C472-C494 VanDerWaalsContact SG-N 3.35Å; C472-C494 CovalentContact SG-SG 2.03Å; C472-C494 PolarHBondContact SG-SG 2.95Å
473	A	90.6	Very high	93.2	Very high	53 Å²	53	44.1 Å²	44.1	44%	0.438	22%	0.222	S	C	.	.			trans	-81.4	-29.2	-173.6	0	0	0	0	0	113.7	H469 S471	H469-A473 PolarHBondContact ND1-N 3.17Å; S471-A473 VanDerWaalsContact C-N 3.27Å; S471-A473 PolarHBondContact O-N 3.09Å
474	Y	91.8	Very high	93.5	Very high	106 Å²	106	45.9 Å²	45.9	42%	0.416	24%	0.235	S	C	.	.	S	Bend	trans	-81.5	-105.3	175.7	-50.5	-41.2	0	0	0	109	E467 H469 Y476	E467-Y474 WeakPolarHBondContact OE2-CB 3.27Å; H469-Y474 HydrophobicContact CB-CD2 3.96Å; H469-Y474 HydrophobicContact CB-CE2 4.35Å; H469-Y474 AromaticContact CD2-CD2 3.74Å; H469-Y474 AromaticContact CD2-CE2 3.28Å; H469-Y474 WeakPolarHBondContact CD2-CE2 3.23Å; H469-Y474 AromaticContact CD2-CZ 3.69Å; Y474-Y476 WeakPolarHBondContact O-CD1 3.46Å
475	D	96.1	Very high	93.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-86	137.7	178.5	-55.2	-15	0	0	0	111.7	Y439 I466 E467 C494 V514 S515 D516	Y439-D475 WeakPolarHBondContact CE2-OD2 3.4Å; Y439-D475 PolarHBondContact OH-OD2 3.45Å; I466-D475 HydrophobicContact CG2-CB 3.43Å; I466-D475 VanDerWaalsContact CG2-CB 3.43Å; I466-D475 WeakPolarHBondContact CG2-O 3.06Å; E467-D475 HydrophobicContact CB-CB 3.87Å; D475-C494 VanDerWaalsContact O-CB 3.28Å; D475-C494 WeakPolarHBondContact O-CB 3.32Å; D475-V514 VanDerWaalsContact CA-O 3.32Å; D475-V514 WeakPolarHBondContact CA-O 3.36Å; D475-S515 WeakPolarHBondContact OD1-CA 3.32Å; D475-D516 PolarHBondContact OD1-N 3.09Å
476	Y	96.4	Very high	93.6	Very high	28 Å²	28	53.2 Å²	53.2	11%	0.11	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.7	-179.4	66.3	-86.3	0	0	0	113.9	C472 Y474 E478 R492 F493 F513 V514	C472-Y476 WeakPolarHBondContact O-CD1 3.45Å; Y474-Y476 WeakPolarHBondContact O-CD1 3.46Å; Y476-E478 HydrophobicContact CD2-CB 3.98Å; Y476-E478 HydrophobicContact CE2-CB 3.9Å; Y476-E478 WeakPolarHBondContact CE2-OE2 3.23Å; Y476-R492 HydrophobicContact CD2-CG 3.78Å; Y476-R492 VanDerWaalsContact CD2-NE 3.29Å; Y476-R492 HydrophobicContact CG-CG 4.17Å; Y476-R492 VanDerWaalsContact CG-NE 3.31Å; Y476-F493 CarbonylContact C-O 3.45Å; Y476-F493 WeakPolarHBondContact CA-O 3.33Å; Y476-F513 WeakPolarHBondContact O-CA 3.48Å; Y476-F513 WeakPolarHBondContact O-CD2 3.3Å; Y476-V514 HydrophobicContact CD1-CB 4.09Å; Y476-V514 HydrophobicContact CE1-CB 3.62Å; Y476-V514 HydrophobicContact CE1-CG1 4Å; Y476-V514 HydrophobicContact CE1-CG2 3.96Å; Y476-V514 HydrophobicContact CE2-CB 4.44Å; Y476-V514 HydrophobicContact CE2-CG2 4.13Å; Y476-V514 PolarHBondContact N-O 3.41Å; Y476-V514 PolarHBondContact O-N 3.25Å
477	L	96.9	Very high	93.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.9	165.5	-175.9	66.3	0	0	0	109.7	F461 F464 I466 V479 R492 F493 M511 F513 F524	F461-L477 HydrophobicContact CE1-CD2 3.4Å; F461-L477 VanDerWaalsContact CE1-CD2 3.4Å; F461-L477 HydrophobicContact CZ-CD2 3.58Å; F464-L477 HydrophobicContact CE2-CB 4.1Å; F464-L477 HydrophobicContact CE2-CD2 3.88Å; F464-L477 HydrophobicContact CZ-CB 4.28Å; I466-L477 HydrophobicContact CD1-CB 3.93Å; L477-V479 HydrophobicContact CD2-CG2 4.4Å; L477-V479 HydrophobicContact CG-CG2 4.23Å; L477-R492 CarbonylContact O-C 3.53Å; L477-R492 WeakPolarHBondContact O-CA 3.32Å; L477-F493 PolarHBondContact N-O 3.41Å; L477-F493 PolarHBondContact O-N 3.5Å; L477-M511 HydrophobicContact CD1-CG 3.55Å; L477-M511 HydrophobicContact CD1-SD 3.94Å; L477-M511 HydrophobicContact CD2-SD 4.16Å; L477-M511 HydrophobicContact CG-CG 4.28Å; L477-M511 HydrophobicContact CG-SD 4.43Å; L477-F513 HydrophobicContact CD1-CB 3.98Å; L477-F524 HydrophobicContact CD1-CE1 3.74Å; L477-F524 HydrophobicContact CD1-CE2 4.23Å; L477-F524 HydrophobicContact CD1-CZ 3.56Å; L477-F524 HydrophobicContact CD2-CD1 4.27Å; L477-F524 HydrophobicContact CD2-CD2 4.16Å; L477-F524 HydrophobicContact CD2-CE1 4.22Å; L477-F524 HydrophobicContact CD2-CE2 4.11Å; L477-F524 HydrophobicContact CD2-CG 4.24Å; L477-F524 HydrophobicContact CD2-CZ 4.14Å; L477-F524 HydrophobicContact CG-CE1 4.41Å; L477-F524 HydrophobicContact CG-CZ 4.45Å
478	E	96.5	Very high	93.8	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.056	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.8	177.5	-170.3	178.8	130.7	0	0	110.1	Y476 R480 L489 W510 M511 K512	Y476-E478 HydrophobicContact CD2-CB 3.98Å; Y476-E478 HydrophobicContact CE2-CB 3.9Å; Y476-E478 WeakPolarHBondContact CE2-OE2 3.23Å; E478-R480 IonicContact OE1-CZ 2.75Å; E478-R480 IonicContact OE1-NE 3.82Å; E478-R480 PolarHBondContact OE1-NE 3.35Å; E478-R480 IonicContact OE1-NH2 3.8Å; E478-R480 PolarHBondContact OE1-NH2 3.09Å; E478-L489 HydrophobicContact CG-CD1 3.56Å; E478-W510 HydrophobicContact CG-CZ3 4.47Å; E478-M511 CarbonylContact O-C 3.38Å; E478-M511 WeakPolarHBondContact O-CA 3.18Å; E478-K512 HydrophobicContact CB-CB 4.43Å; E478-K512 PolarHBondContact N-O 3.44Å; E478-K512 PolarHBondContact O-N 3.25Å
479	V	97.7	Very high	94	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.7	-176.5	-172.6	0	0	0	0	109.3	L459 L477 L490 G491 F493 I502 L509 M511	L459-V479 HydrophobicContact CD2-CG1 4.22Å; L459-V479 HydrophobicContact CD2-CG2 4.37Å; L477-V479 HydrophobicContact CD2-CG2 4.4Å; L477-V479 HydrophobicContact CG-CG2 4.23Å; V479-L490 HydrophobicContact CG1-CB 4.45Å; V479-L490 HydrophobicContact CG1-CD1 4.27Å; V479-L490 WeakPolarHBondContact O-CB 3.24Å; V479-L490 PolarHBondContact O-N 3.32Å; V479-G491 PolarHBondContact N-O 3.24Å; V479-G491 PolarHBondContact O-N 3.28Å; V479-F493 HydrophobicContact CB-CE2 4.23Å; V479-F493 HydrophobicContact CG2-CD2 4.18Å; V479-F493 HydrophobicContact CG2-CE2 3.86Å; V479-I502 HydrophobicContact CB-CD1 4.25Å; V479-I502 HydrophobicContact CG1-CD1 4.12Å; V479-I502 HydrophobicContact CG2-CD1 4.31Å; V479-L509 HydrophobicContact CG1-CD1 3.57Å; V479-L509 HydrophobicContact CG1-CG 4.32Å; V479-M511 HydrophobicContact CG2-CG 4.22Å; V479-M511 HydrophobicContact CG2-SD 4.42Å
480	R	97.4	Very high	94.2	Very high	45 Å²	45	54.1 Å²	54.1	17%	0.17	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.8	-175.4	-61.3	-175	172.6	-92.4	-2.7	112.6	E478 G482 E485 S487 P488 L489 W510	E478-R480 IonicContact OE1-CZ 2.75Å; E478-R480 IonicContact OE1-NE 3.82Å; E478-R480 PolarHBondContact OE1-NE 3.35Å; E478-R480 IonicContact OE1-NH2 3.8Å; E478-R480 PolarHBondContact OE1-NH2 3.09Å; R480-G482 PolarHBondContact O-N 2.03Å; R480-E485 WeakPolarHBondContact CD-O 3.45Å; R480-E485 PolarHBondContact NE-O 3.34Å; R480-E485 VanDerWaalsContact NE-O 3.11Å; R480-E485 PolarHBondContact NH1-O 2.83Å; R480-S487 WeakPolarHBondContact CD-O 3.23Å; R480-S487 PolarHBondContact NH1-O 2.93Å; R480-P488 CarbonylContact C-O 3.54Å; R480-P488 VanDerWaalsContact CA-O 3.23Å; R480-P488 WeakPolarHBondContact CA-O 3.49Å; R480-P488 WeakPolarHBondContact CB-O 3.02Å; R480-L489 HydrophobicContact CG-CD1 4.11Å; R480-W510 HydrophobicContact CB-CB 4.32Å; R480-W510 HydrophobicContact CB-CE3 4.03Å; R480-W510 HydrophobicContact CG-CE3 3.81Å; R480-W510 HydrophobicContact CG-CZ3 4.09Å; R480-W510 PolarHBondContact N-O 3.17Å; R480-W510 PolarHBondContact O-N 3.15Å
481	D	96.1	Very high	94.5	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.118	27%	0.268	C	S	.	.	S	Bend	trans	-85.7	80.5	-178.4	-159.9	-19.1	0	0	0	111.9	S487 P488 L490 T504 S505	D481-S487 WeakPolarHBondContact O-CB 3.12Å; D481-P488 HydrophobicContact CB-CB 4.36Å; D481-P488 PolarHBondContact N-O 3.04Å; D481-L490 HydrophobicContact CB-CD1 3.89Å; D481-L490 HydrophobicContact CB-CD2 4.01Å; D481-L490 HydrophobicContact CB-CG 3.93Å; D481-T504 WeakPolarHBondContact OD1-CB 3.33Å; D481-S505 VanDerWaalsContact CG-N 3.35Å; D481-S505 PolarHBondContact OD1-N 2.99Å; D481-S505 VanDerWaalsContact OD1-N 3.15Å; D481-S505 PolarHBondContact OD1-OG 2.87Å; D481-S505 WeakPolarHBondContact OD2-CB 3.4Å; D481-S505 PolarHBondContact OD2-N 3.25Å; D481-S505 PolarHBondContact OD2-OG 3.02Å; D481-S505 VanDerWaalsContact OD2-OG 3.12Å
482	G	95.1	Very high	94.8	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	26%	0.261	C	S	.	.	S	Bend	trans	155.3	-151.9	179.8	0	0	0	0	0	113.5	R480 S487 H508 L509 W510	R480-G482 PolarHBondContact O-N 2.03Å; G482-S487 WeakPolarHBondContact CA-OG 3.38Å; G482-H508 PolarHBondContact N-O 2.61Å; G482-H508 CarbonylContact O-C 3.46Å; G482-L509 CarbonylContact O-C 3.5Å; G482-L509 WeakPolarHBondContact O-CA 3.39Å; G482-L509 PolarHBondContact O-N 3.49Å; G482-W510 WeakPolarHBondContact O-CB 3.35Å; G482-W510 PolarHBondContact O-N 2.96Å
483	L	92.8	Very high	95	Very high	67 Å²	67	49.7 Å²	49.7	35%	0.351	27%	0.266	S	S	.	.	S	Bend	trans	-116.1	0.7	-178.6	-71.3	179.8	0	0	0	114.4	K448 H508 W510	K448-L483 HydrophobicContact CB-CD2 4.13Å; L483-H508 HydrophobicContact CD1-CB 4.5Å; L483-H508 HydrophobicContact CD2-CB 3.81Å; L483-H508 HydrophobicContact CG-CB 3.69Å; L483-W510 VanDerWaalsContact O-CD1 3.28Å
484	S	92.3	Very high	95.2	Very high	48 Å²	48	48.2 Å²	48.2	34%	0.336	25%	0.252	S	S	.	.	S	Bend	trans	-128.5	161	-174.8	64.6	0	0	0	0	112.7	T486 S487	S484-T486 PolarHBondContact O-N 3.19Å; S484-T486 PolarHBondContact OG-OG1 3.06Å; S484-S487 PolarHBondContact N-OG 2.76Å; S484-S487 VanDerWaalsContact O-CB 3.25Å; S484-S487 WeakPolarHBondContact O-CB 3.41Å; S484-S487 PolarHBondContact O-N 3.02Å; S484-S487 VanDerWaalsContact O-N 3.1Å; S484-S487 PolarHBondContact O-OG 3.41Å; S484-S487 PolarHBondContact OG-N 3.39Å; S484-S487 PolarHBondContact OG-OG 2.97Å
485	E	92.3	Very high	95.3	Very high	103 Å²	103	43.2 Å²	43.2	48%	0.481	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.2	173	-171.3	166.3	-141.2	0	0	112.5	R480 W510 K512	R480-E485 WeakPolarHBondContact CD-O 3.45Å; R480-E485 PolarHBondContact NE-O 3.34Å; R480-E485 VanDerWaalsContact NE-O 3.11Å; R480-E485 PolarHBondContact NH1-O 2.83Å; E485-W510 HydrophobicContact CB-CH2 3.98Å; E485-W510 HydrophobicContact CB-CZ2 3.82Å; E485-W510 HydrophobicContact CG-CH2 3.87Å; E485-W510 HydrophobicContact CG-CZ2 4.16Å; E485-K512 IonicContact OE1-NZ 3.13Å; E485-K512 PolarHBondContact OE1-NZ 2.9Å
486	T	93.4	Very high	94.9	Very high	129 Å²	129	48.4 Å²	48.4	79%	0.791	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.5	175.8	55.5	0	0	0	0	113.8	S484	S484-T486 PolarHBondContact O-N 3.19Å; S484-T486 PolarHBondContact OG-OG1 3.06Å
487	S	96	Very high	94.5	Very high	14 Å²	14	53.5 Å²	53.5	10%	0.098	28%	0.283	C	S	.	.	S	Bend	trans	-64.3	154.3	177.6	-66	0	0	0	0	111.7	R480 D481 G482 S484 L489	R480-S487 WeakPolarHBondContact CD-O 3.23Å; R480-S487 PolarHBondContact NH1-O 2.93Å; D481-S487 WeakPolarHBondContact O-CB 3.12Å; G482-S487 WeakPolarHBondContact CA-OG 3.38Å; S484-S487 PolarHBondContact N-OG 2.76Å; S484-S487 VanDerWaalsContact O-CB 3.25Å; S484-S487 WeakPolarHBondContact O-CB 3.41Å; S484-S487 PolarHBondContact O-N 3.02Å; S484-S487 VanDerWaalsContact O-N 3.1Å; S484-S487 PolarHBondContact O-OG 3.41Å; S484-S487 PolarHBondContact OG-N 3.39Å; S484-S487 PolarHBondContact OG-OG 2.97Å; S487-L489 PolarHBondContact O-N 3.37Å
488	P	96.6	Very high	94	Very high	91 Å²	91	58.9 Å²	58.9	59%	0.591	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-50.1	133	178	-27.8	35.2	0	0	0	112.4	R480 D481 L490	R480-P488 CarbonylContact C-O 3.54Å; R480-P488 VanDerWaalsContact CA-O 3.23Å; R480-P488 WeakPolarHBondContact CA-O 3.49Å; R480-P488 WeakPolarHBondContact CB-O 3.02Å; D481-P488 HydrophobicContact CB-CB 4.36Å; D481-P488 PolarHBondContact N-O 3.04Å; P488-L490 PolarHBondContact O-N 3.44Å
489	L	95.9	Very high	93.8	Very high	94 Å²	94	58.8 Å²	58.8	49%	0.492	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.4	179.6	-177.8	67.5	0	0	0	109.7	E478 R480 S487 G491	E478-L489 HydrophobicContact CG-CD1 3.56Å; R480-L489 HydrophobicContact CG-CD1 4.11Å; S487-L489 PolarHBondContact O-N 3.37Å; L489-G491 WeakPolarHBondContact CD1-O 3.28Å
490	L	95.6	Very high	93.4	Very high	64 Å²	64	65.6 Å²	65.6	34%	0.335	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-37	172.9	-65.9	171.3	0	0	0	110.6	V479 D481 P488 I502 T504 L509	V479-L490 HydrophobicContact CG1-CB 4.45Å; V479-L490 HydrophobicContact CG1-CD1 4.27Å; V479-L490 WeakPolarHBondContact O-CB 3.24Å; V479-L490 PolarHBondContact O-N 3.32Å; D481-L490 HydrophobicContact CB-CD1 3.89Å; D481-L490 HydrophobicContact CB-CD2 4.01Å; D481-L490 HydrophobicContact CB-CG 3.93Å; P488-L490 PolarHBondContact O-N 3.44Å; L490-I502 HydrophobicContact CB-CG2 4.24Å; L490-I502 HydrophobicContact CD1-CG2 3.66Å; L490-I502 HydrophobicContact CG-CG2 4.43Å; L490-T504 HydrophobicContact CD1-CG2 4.13Å; L490-L509 HydrophobicContact CD1-CD1 4.08Å
491	G	93.7	Very high	93	Very high	12 Å²	12	67.6 Å²	67.6	12%	0.124	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.5	162.7	172.2	0	0	0	0	0	113.6	V479 L489	V479-G491 PolarHBondContact N-O 3.24Å; V479-G491 PolarHBondContact O-N 3.28Å; L489-G491 WeakPolarHBondContact CD1-O 3.28Å
492	R	95.6	Very high	92.8	Very high	100 Å²	100	67.4 Å²	67.4	38%	0.377	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.5	171.3	-176.3	175.5	178.8	172.3	-1.6	107.7	C472 Y476 L477	C472-R492 HydrophobicContact CB-CG 4.23Å; C472-R492 VanDerWaalsContact O-CZ 3.27Å; C472-R492 PolarHBondContact O-NE 2.94Å; C472-R492 PolarHBondContact O-NH2 3.01Å; Y476-R492 HydrophobicContact CD2-CG 3.78Å; Y476-R492 VanDerWaalsContact CD2-NE 3.29Å; Y476-R492 HydrophobicContact CG-CG 4.17Å; Y476-R492 VanDerWaalsContact CG-NE 3.31Å; L477-R492 CarbonylContact O-C 3.53Å; L477-R492 WeakPolarHBondContact O-CA 3.32Å
493	F	96.4	Very high	92.7	Very high	46 Å²	46	70.7 Å²	70.7	20%	0.202	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.5	-164.8	-51.2	-75.6	0	0	0	110.7	F464 Y476 L477 V479 P499 I502	F464-F493 HydrophobicContact CE1-CB 4.04Å; F464-F493 HydrophobicContact CE2-CB 4.09Å; F464-F493 HydrophobicContact CZ-CB 3.4Å; Y476-F493 CarbonylContact C-O 3.45Å; Y476-F493 WeakPolarHBondContact CA-O 3.33Å; L477-F493 PolarHBondContact N-O 3.41Å; L477-F493 PolarHBondContact O-N 3.5Å; V479-F493 HydrophobicContact CB-CE2 4.23Å; V479-F493 HydrophobicContact CG2-CD2 4.18Å; V479-F493 HydrophobicContact CG2-CE2 3.86Å; F493-P499 HydrophobicContact CB-CG 3.92Å; F493-P499 HydrophobicContact CD1-CB 3.73Å; F493-P499 HydrophobicContact CD1-CG 3.74Å; F493-P499 HydrophobicContact CD2-CB 4.47Å; F493-P499 HydrophobicContact CD2-CG 4.29Å; F493-P499 HydrophobicContact CE1-CB 3.79Å; F493-P499 HydrophobicContact CE1-CG 4.32Å; F493-P499 HydrophobicContact CG-CB 4.09Å; F493-P499 HydrophobicContact CG-CG 3.72Å; F493-P499 HydrophobicContact CZ-CB 4.19Å; F493-I502 HydrophobicContact CE2-CD1 3.69Å; F493-I502 HydrophobicContact CZ-CD1 3.7Å
494	C	95.1	Very high	92.7	Very high	22 Å²	22	67.7 Å²	67.7	15%	0.149	35%	0.352	C	S	.	.			trans	-157.4	171.6	174.1	67.2	0	0	0	0	109.4	I466 E467 H469 C472 D475	I466-C494 HydrophobicContact CG2-CB 4.33Å; E467-C494 WeakPolarHBondContact O-CB 3.46Å; H469-C494 PolarHBondContact O-SG 2.76Å; C472-C494 WeakPolarHBondContact CA-SG 3.47Å; C472-C494 HydrophobicContact CB-CB 3.55Å; C472-C494 WeakPolarHBondContact CB-SG 3.33Å; C472-C494 WeakPolarHBondContact SG-CB 3.1Å; C472-C494 PolarHBondContact SG-N 2.89Å; C472-C494 VanDerWaalsContact SG-N 3.35Å; C472-C494 CovalentContact SG-SG 2.03Å; C472-C494 PolarHBondContact SG-SG 2.95Å; D475-C494 VanDerWaalsContact O-CB 3.28Å; D475-C494 WeakPolarHBondContact O-CB 3.32Å
495	G	92.7	Very high	92.6	Very high	2 Å²	2	69.7 Å²	69.7	2%	0.021	37%	0.366	C	S	.	.	S	Bend	trans	83.4	-155	-175.4	0	0	0	0	0	114	I466 E467	I466-G495 PolarHBondContact N-O 3.33Å; I466-G495 CarbonylContact O-C 3.55Å; I466-G495 WeakPolarHBondContact O-CA 3.36Å; I466-G495 PolarHBondContact O-N 3.35Å; I466-G495 VanDerWaalsContact O-N 3.09Å; E467-G495 PolarHBondContact O-N 3.12Å
496	Y	89.2	Confident	92.6	Very high	109 Å²	109	66.4 Å²	66.4	43%	0.427	35%	0.354	S	S	.	.	S	Bend	trans	-110.3	-10	-169.5	-53.8	-72.7	0	0	0	113.7	E465 R468 K498 K521	E465-Y496 HydrophobicContact CB-CD1 4.22Å; E465-Y496 HydrophobicContact CG-CD1 4.13Å; R468-Y496 HydrophobicContact CB-CE2 4.18Å; Y496-K498 PolarHBondContact O-N 2.96Å; Y496-K521 HydrophobicContact CE1-CD 4.39Å; Y496-K521 VanDerWaalsContact OH-CE 3.32Å; Y496-K521 WeakPolarHBondContact OH-CE 3.39Å
497	D	86.8	Confident	92.6	Very high	135 Å²	135	61.8 Å²	61.8	72%	0.722	32%	0.324	S	S	*	.	S	Bend	trans	-78.4	120.7	179.5	-63.2	-42	0	0	0	108.6	P499	D497-P499 WeakPolarHBondContact O-CD 3.45Å
498	K	86.6	Confident	92.7	Very high	113 Å²	113	63.5 Å²	63.5	49%	0.491	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-62.4	126	178.6	-176	-169.8	135.9	167.3	0	109.2	F461 Y496	F461-K498 HydrophobicContact CB-CD 4.15Å; F461-K498 HydrophobicContact CB-CG 3.72Å; F461-K498 WeakPolarHBondContact O-CD 3.15Å; F461-K498 WeakPolarHBondContact O-CE 3.39Å; F461-K498 PolarHBondContact O-NZ 3.14Å; Y496-K498 PolarHBondContact O-N 2.96Å
499	P	91.6	Very high	92.6	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.058	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.2	148.8	174.5	-23	33.2	0	0	0	112.1	F461 F464 F493 D497	F461-P499 HydrophobicContact CD2-CB 3.73Å; F461-P499 HydrophobicContact CD2-CG 3.97Å; F461-P499 HydrophobicContact CE2-CB 3.72Å; F461-P499 HydrophobicContact CE2-CG 3.94Å; F461-P499 HydrophobicContact CG-CB 4.49Å; F461-P499 HydrophobicContact CG-CG 4.3Å; F461-P499 HydrophobicContact CZ-CB 4.47Å; F461-P499 HydrophobicContact CZ-CG 4.25Å; F464-P499 HydrophobicContact CD1-CG 4.3Å; F464-P499 HydrophobicContact CD2-CG 3.86Å; F464-P499 HydrophobicContact CE1-CG 4.33Å; F464-P499 HydrophobicContact CE2-CG 3.9Å; F464-P499 VanDerWaalsContact CG-CD 3.44Å; F464-P499 HydrophobicContact CG-CG 4.07Å; F464-P499 HydrophobicContact CZ-CG 4.14Å; F493-P499 HydrophobicContact CB-CG 3.92Å; F493-P499 HydrophobicContact CD1-CB 3.73Å; F493-P499 HydrophobicContact CD1-CG 3.74Å; F493-P499 HydrophobicContact CD2-CB 4.47Å; F493-P499 HydrophobicContact CD2-CG 4.29Å; F493-P499 HydrophobicContact CE1-CB 3.79Å; F493-P499 HydrophobicContact CE1-CG 4.32Å; F493-P499 HydrophobicContact CG-CB 4.09Å; F493-P499 HydrophobicContact CG-CG 3.72Å; F493-P499 HydrophobicContact CZ-CB 4.19Å; D497-P499 WeakPolarHBondContact O-CD 3.45Å
500	D	89.9	Confident	92.7	Very high	143 Å²	143	55 Å²	55	77%	0.765	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-60.1	156.7	170.4	-69	-35.4	0	0	0	111.2	I502	D500-I502 WeakPolarHBondContact O-CG1 3.43Å; D500-I502 PolarHBondContact O-N 3.18Å
501	D	89.1	Confident	92.7	Very high	88 Å²	88	52 Å²	52	47%	0.471	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-66.3	130.9	178.9	-69.7	-18	0	0	0	110.5	T460 L551	T460-D501 WeakPolarHBondContact CB-OD1 3.37Å; T460-D501 HydrophobicContact CG2-CB 4.1Å; T460-D501 WeakPolarHBondContact CG2-OD1 3.5Å; D501-L551 HydrophobicContact CB-CD2 3.74Å
502	I	92.8	Very high	92.8	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.087	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.3	-170.4	-58.8	177	0	0	0	110.4	G458 L459 F461 V479 L490 F493 D500 L551	G458-I502 CarbonylContact C-O 3.54Å; G458-I502 WeakPolarHBondContact CA-O 3.46Å; L459-I502 HydrophobicContact CB-CB 4.25Å; L459-I502 HydrophobicContact CD2-CD1 4.34Å; L459-I502 PolarHBondContact N-O 3.21Å; L459-I502 PolarHBondContact O-N 3.16Å; F461-I502 HydrophobicContact CE2-CD1 4.29Å; V479-I502 HydrophobicContact CB-CD1 4.25Å; V479-I502 HydrophobicContact CG1-CD1 4.12Å; V479-I502 HydrophobicContact CG2-CD1 4.31Å; L490-I502 HydrophobicContact CB-CG2 4.24Å; L490-I502 HydrophobicContact CD1-CG2 3.66Å; L490-I502 HydrophobicContact CG-CG2 4.43Å; F493-I502 HydrophobicContact CE2-CD1 3.69Å; F493-I502 HydrophobicContact CZ-CD1 3.7Å; D500-I502 WeakPolarHBondContact O-CG1 3.43Å; D500-I502 PolarHBondContact O-N 3.18Å; I502-L551 WeakPolarHBondContact O-CD2 3.1Å
503	K	91.4	Very high	92.8	Very high	79 Å²	79	48 Å²	48	34%	0.343	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.6	171.6	-175.3	169.1	177.8	160.3	0	110.2	H456 E531 L551	H456-K503 HydrophobicContact CB-CG 4.41Å; H456-K503 WeakPolarHBondContact ND1-CE 3.46Å; K503-E531 HydrophobicContact CD-CG 3.86Å; K503-E531 HydrophobicContact CG-CG 4.16Å; K503-E531 IonicContact NZ-OE1 3.45Å; K503-E531 PolarHBondContact NZ-OE1 3.09Å; K503-E531 VanDerWaalsContact NZ-OE1 3.08Å; K503-L551 HydrophobicContact CB-CD1 3.64Å; K503-L551 HydrophobicContact CD-CD1 4.07Å; K503-L551 HydrophobicContact CG-CD1 4.05Å
504	T	93.4	Very high	92.8	Very high	4 Å²	4	47 Å²	47	3%	0.025	24%	0.244	C	C	.	.			trans	-82.8	161.7	172.8	57.8	0	0	0	0	112.3	H456 V457 D481 L490 S506 L509	H456-T504 WeakPolarHBondContact CB-O 3.25Å; H456-T504 PolarHBondContact ND1-O 3.11Å; V457-T504 HydrophobicContact CB-CG2 3.99Å; V457-T504 WeakPolarHBondContact CB-OG1 3.49Å; V457-T504 PolarHBondContact N-OG1 3.12Å; V457-T504 PolarHBondContact O-N 3.1Å; V457-T504 PolarHBondContact O-OG1 3.18Å; D481-T504 WeakPolarHBondContact OD1-CB 3.33Å; L490-T504 HydrophobicContact CD1-CG2 4.13Å; T504-S506 WeakPolarHBondContact CB-O 2.94Å; T504-S506 PolarHBondContact OG1-O 3.26Å; T504-L509 HydrophobicContact CG2-CB 3.94Å; T504-L509 HydrophobicContact CG2-CD1 3.32Å; T504-L509 HydrophobicContact CG2-CG 4.24Å
505	S	90.9	Very high	92.7	Very high	90 Å²	90	46.2 Å²	46.2	63%	0.629	24%	0.239	S	C	*	.	S	Bend	trans	-86.3	-12.5	170.1	77.3	0	0	0	0	113.1	D481	D481-S505 VanDerWaalsContact CG-N 3.35Å; D481-S505 PolarHBondContact OD1-N 2.99Å; D481-S505 VanDerWaalsContact OD1-N 3.15Å; D481-S505 PolarHBondContact OD1-OG 2.87Å; D481-S505 WeakPolarHBondContact OD2-CB 3.4Å; D481-S505 PolarHBondContact OD2-N 3.25Å; D481-S505 PolarHBondContact OD2-OG 3.02Å; D481-S505 VanDerWaalsContact OD2-OG 3.12Å
506	S	92.4	Very high	92.7	Very high	33 Å²	33	48.1 Å²	48.1	23%	0.231	25%	0.248	C	C	.	.	S	Bend	trans	-128.1	176.2	-179.1	73.3	0	0	0	0	112.1	T504 H508	T504-S506 WeakPolarHBondContact CB-O 2.94Å; T504-S506 PolarHBondContact OG1-O 3.26Å; S506-H508 PolarHBondContact O-N 2.96Å; S506-H508 VanDerWaalsContact O-N 3.11Å; S506-H508 PolarHBondContact OG-N 3.11Å; S506-H508 PolarHBondContact OG-O 3.03Å
507	N	93.9	Very high	92.7	Very high	33 Å²	33	45.3 Å²	45.3	18%	0.176	25%	0.253	C	S	.	.	S	Bend	trans	-76.8	14.8	173.7	67.6	-60.4	0	0	0	113.5	S450 V451 F455	S450-N507 WeakPolarHBondContact CA-O 3.43Å; V451-N507 HydrophobicContact CG2-CB 3.92Å; V451-N507 PolarHBondContact N-O 3.01Å; V451-N507 PolarHBondContact O-ND2 3.08Å; F455-N507 WeakPolarHBondContact O-CA 3.35Å; F455-N507 WeakPolarHBondContact O-CB 2.93Å; F455-N507 PolarHBondContact O-N 3.43Å
508	H	96.1	Very high	92.8	Very high	50 Å²	50	41.7 Å²	41.7	23%	0.231	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.7	-173.6	-63	-57.7	0	0	0	112.1	I449 S450 G482 L483 S506	I449-H508 WeakPolarHBondContact O-CA 3.32Å; S450-H508 PolarHBondContact OG-CE1 3.21Å; S450-H508 PolarHBondContact OG-ND1 3.11Å; G482-H508 PolarHBondContact N-O 2.61Å; G482-H508 CarbonylContact O-C 3.46Å; L483-H508 HydrophobicContact CD1-CB 4.5Å; L483-H508 HydrophobicContact CD2-CB 3.81Å; L483-H508 HydrophobicContact CG-CB 3.69Å; S506-H508 PolarHBondContact O-N 2.96Å; S506-H508 VanDerWaalsContact O-N 3.11Å; S506-H508 PolarHBondContact OG-N 3.11Å; S506-H508 PolarHBondContact OG-O 3.03Å
509	L	96.4	Very high	92.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.4	176	-179.4	82.7	0	0	0	109	I449 V457 L459 V479 G482 L490 T504	I449-L509 HydrophobicContact CB-CB 4.22Å; I449-L509 HydrophobicContact CD1-CD2 3.87Å; I449-L509 PolarHBondContact N-O 3.14Å; I449-L509 PolarHBondContact O-N 2.75Å; V457-L509 HydrophobicContact CB-CB 4.02Å; V457-L509 HydrophobicContact CG1-CB 3.9Å; V457-L509 HydrophobicContact CG1-CD2 3.95Å; V457-L509 HydrophobicContact CG1-CG 4.49Å; V457-L509 HydrophobicContact CG2-CB 4.08Å; L459-L509 HydrophobicContact CB-CD2 4.31Å; L459-L509 HydrophobicContact CD1-CD2 4.21Å; L459-L509 HydrophobicContact CD2-CD2 4.18Å; L459-L509 HydrophobicContact CG-CD2 4.48Å; V479-L509 HydrophobicContact CG1-CD1 3.57Å; V479-L509 HydrophobicContact CG1-CG 4.32Å; G482-L509 CarbonylContact O-C 3.5Å; G482-L509 WeakPolarHBondContact O-CA 3.39Å; G482-L509 PolarHBondContact O-N 3.49Å; L490-L509 HydrophobicContact CD1-CD1 4.08Å; T504-L509 HydrophobicContact CG2-CB 3.94Å; T504-L509 HydrophobicContact CG2-CD1 3.32Å; T504-L509 HydrophobicContact CG2-CG 4.24Å
510	W	97	Very high	92.7	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	175.1	-176.7	98.2	0	0	0	108.9	I446 E478 R480 G482 L483 E485 K512	I446-W510 HydrophobicContact CD1-CZ2 4.29Å; I446-W510 HydrophobicContact CG1-CZ2 4.38Å; I446-W510 HydrophobicContact CG2-CD2 4.48Å; I446-W510 HydrophobicContact CG2-CZ2 3.78Å; E478-W510 HydrophobicContact CG-CZ3 4.47Å; R480-W510 HydrophobicContact CB-CB 4.32Å; R480-W510 HydrophobicContact CB-CE3 4.03Å; R480-W510 HydrophobicContact CG-CE3 3.81Å; R480-W510 HydrophobicContact CG-CZ3 4.09Å; R480-W510 PolarHBondContact N-O 3.17Å; R480-W510 PolarHBondContact O-N 3.15Å; G482-W510 WeakPolarHBondContact O-CB 3.35Å; G482-W510 PolarHBondContact O-N 2.96Å; L483-W510 VanDerWaalsContact O-CD1 3.28Å; E485-W510 HydrophobicContact CB-CH2 3.98Å; E485-W510 HydrophobicContact CB-CZ2 3.82Å; E485-W510 HydrophobicContact CG-CH2 3.87Å; E485-W510 HydrophobicContact CG-CZ2 4.16Å; W510-K512 HydrophobicContact CE3-CB 4.23Å; W510-K512 HydrophobicContact CH2-CB 3.34Å; W510-K512 HydrophobicContact CH2-CD 3.37Å; W510-K512 HydrophobicContact CH2-CG 3.99Å; W510-K512 HydrophobicContact CZ2-CB 3.96Å; W510-K512 HydrophobicContact CZ2-CD 4.01Å; W510-K512 HydrophobicContact CZ3-CB 3.46Å; W510-K512 VanDerWaalsContact CZ3-CB 3.46Å; W510-K512 HydrophobicContact CZ3-CD 4.19Å; W510-K512 HydrophobicContact CZ3-CG 4.49Å
511	M	95.6	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.9	-175.4	-174.6	167.4	67.6	0	0	110.3	I430 I446 W447 I449 L459 L477 E478 V479 F524	I430-M511 HydrophobicContact CB-CE 3.65Å; I430-M511 HydrophobicContact CG1-CE 3.88Å; I430-M511 HydrophobicContact CG2-CE 3.34Å; I446-M511 CarbonylContact C-O 3.45Å; I446-M511 WeakPolarHBondContact CA-O 3.38Å; W447-M511 HydrophobicContact CB-CE 4.46Å; W447-M511 HydrophobicContact CD2-CE 4.13Å; W447-M511 HydrophobicContact CE3-CB 4.4Å; W447-M511 HydrophobicContact CE3-CE 3.76Å; W447-M511 HydrophobicContact CE3-CG 4.22Å; W447-M511 HydrophobicContact CG-CE 4.45Å; W447-M511 HydrophobicContact CZ3-CE 4.28Å; W447-M511 PolarHBondContact N-O 3.05Å; W447-M511 PolarHBondContact O-N 3.42Å; I449-M511 HydrophobicContact CD1-CE 4.41Å; L459-M511 HydrophobicContact CD2-SD 4.3Å; L477-M511 HydrophobicContact CD1-CG 3.55Å; L477-M511 HydrophobicContact CD1-SD 3.94Å; L477-M511 HydrophobicContact CD2-SD 4.16Å; L477-M511 HydrophobicContact CG-CG 4.28Å; L477-M511 HydrophobicContact CG-SD 4.43Å; E478-M511 CarbonylContact O-C 3.38Å; E478-M511 WeakPolarHBondContact O-CA 3.18Å; V479-M511 HydrophobicContact CG2-CG 4.22Å; V479-M511 HydrophobicContact CG2-SD 4.42Å; M511-F524 HydrophobicContact CE-CE2 4.39Å
512	K	95.9	Very high	92.6	Very high	28 Å²	28	34.1 Å²	34.1	12%	0.122	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.3	-178.8	175.4	177.1	178.1	-171.7	0	111.2	C445 I446 E478 E485 W510 V514	C445-K512 CarbonylContact O-C 3.58Å; C445-K512 WeakPolarHBondContact O-CA 3.27Å; I446-K512 HydrophobicContact CD1-CD 4.46Å; I446-K512 HydrophobicContact CG1-CB 4.26Å; I446-K512 HydrophobicContact CG1-CD 4.3Å; I446-K512 HydrophobicContact CG1-CG 3.99Å; E478-K512 HydrophobicContact CB-CB 4.43Å; E478-K512 PolarHBondContact N-O 3.44Å; E478-K512 PolarHBondContact O-N 3.25Å; E485-K512 IonicContact OE1-NZ 3.13Å; E485-K512 PolarHBondContact OE1-NZ 2.9Å; W510-K512 HydrophobicContact CE3-CB 4.23Å; W510-K512 HydrophobicContact CH2-CB 3.34Å; W510-K512 HydrophobicContact CH2-CD 3.37Å; W510-K512 HydrophobicContact CH2-CG 3.99Å; W510-K512 HydrophobicContact CZ2-CB 3.96Å; W510-K512 HydrophobicContact CZ2-CD 4.01Å; W510-K512 HydrophobicContact CZ3-CB 3.46Å; W510-K512 VanDerWaalsContact CZ3-CB 3.46Å; W510-K512 HydrophobicContact CZ3-CD 4.19Å; W510-K512 HydrophobicContact CZ3-CG 4.49Å; K512-V514 HydrophobicContact CD-CG2 4.34Å; K512-V514 HydrophobicContact CG-CG2 3.99Å
513	F	96	Very high	92.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.8	170.1	174.7	-116.5	0	0	0	109.9	P433 Y439 V444 C445 W447 I466 Y476 L477 F524	P433-F513 HydrophobicContact CG-CD1 4.42Å; P433-F513 HydrophobicContact CG-CE1 4.5Å; Y439-F513 AromaticContact CD1-CZ 3.9Å; Y439-F513 HydrophobicContact CD1-CZ 3.9Å; Y439-F513 HydrophobicContact CD2-CE1 4.33Å; Y439-F513 AromaticContact CD2-CZ 3.85Å; Y439-F513 HydrophobicContact CD2-CZ 3.85Å; Y439-F513 HydrophobicContact CE1-CZ 4.16Å; Y439-F513 HydrophobicContact CE2-CZ 4.09Å; Y439-F513 HydrophobicContact CG-CE1 4.19Å; Y439-F513 AromaticContact CG-CZ 3.76Å; Y439-F513 HydrophobicContact CG-CZ 3.76Å; V444-F513 WeakPolarHBondContact CA-O 3.48Å; C445-F513 HydrophobicContact CB-CB 4.26Å; C445-F513 PolarHBondContact N-O 3.05Å; C445-F513 PolarHBondContact O-N 3.09Å; W447-F513 HydrophobicContact CH2-CB 4Å; W447-F513 HydrophobicContact CZ3-CB 3.71Å; I466-F513 HydrophobicContact CD1-CD2 4.13Å; I466-F513 HydrophobicContact CD1-CE2 3.88Å; I466-F513 HydrophobicContact CG1-CE2 4.32Å; I466-F513 HydrophobicContact CG2-CE2 4.42Å; Y476-F513 WeakPolarHBondContact O-CA 3.48Å; Y476-F513 WeakPolarHBondContact O-CD2 3.3Å; L477-F513 HydrophobicContact CD1-CB 3.98Å; F513-F524 HydrophobicContact CB-CE1 3.94Å; F513-F524 HydrophobicContact CB-CZ 4.2Å; F513-F524 HydrophobicContact CD1-CE1 4.46Å; F513-F524 HydrophobicContact CD2-CD1 4.37Å; F513-F524 AromaticContact CD2-CE1 3.7Å; F513-F524 HydrophobicContact CD2-CE1 3.7Å; F513-F524 HydrophobicContact CE2-CE1 4.34Å; F513-F524 AromaticContact CG-CE1 3.77Å; F513-F524 HydrophobicContact CG-CE1 3.77Å; F513-F524 HydrophobicContact CG-CZ 4.47Å
514	V	95.3	Very high	92.6	Very high	25 Å²	25	29.6 Å²	29.6	15%	0.152	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.6	176	-178.9	0	0	0	0	108.9	K443 V444 D475 Y476 K512	K443-V514 CarbonylContact O-C 3.59Å; K443-V514 VanDerWaalsContact O-CA 3.31Å; K443-V514 WeakPolarHBondContact O-CA 3.47Å; V444-V514 HydrophobicContact CG1-CG2 4.41Å; V444-V514 HydrophobicContact CG2-CG1 4.42Å; V444-V514 HydrophobicContact CG2-CG2 4.49Å; D475-V514 VanDerWaalsContact CA-O 3.32Å; D475-V514 WeakPolarHBondContact CA-O 3.36Å; Y476-V514 HydrophobicContact CD1-CB 4.09Å; Y476-V514 HydrophobicContact CE1-CB 3.62Å; Y476-V514 HydrophobicContact CE1-CG1 4Å; Y476-V514 HydrophobicContact CE1-CG2 3.96Å; Y476-V514 HydrophobicContact CE2-CB 4.44Å; Y476-V514 HydrophobicContact CE2-CG2 4.13Å; Y476-V514 PolarHBondContact N-O 3.41Å; Y476-V514 PolarHBondContact O-N 3.25Å; K512-V514 HydrophobicContact CD-CG2 4.34Å; K512-V514 HydrophobicContact CG-CG2 3.99Å
515	S	94.4	Very high	92.4	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	18%	0.183	C	C	.	.			trans	-122	146.5	166.8	62.9	0	0	0	0	111.9	R440 N442 K443 D475	R440-S515 PolarHBondContact O-OG 2.86Å; N442-S515 WeakPolarHBondContact CA-O 3.19Å; N442-S515 PolarHBondContact N-O 2.83Å; N442-S515 PolarHBondContact N-OG 3.35Å; K443-S515 WeakPolarHBondContact CB-OG 3.24Å; K443-S515 PolarHBondContact N-O 2.94Å; K443-S515 PolarHBondContact N-OG 2.77Å; K443-S515 PolarHBondContact O-N 3.07Å; D475-S515 WeakPolarHBondContact OD1-CA 3.32Å
516	D	91.6	Very high	92.4	Very high	42 Å²	42	25.1 Å²	25.1	23%	0.225	15%	0.153	C	C	.	.			trans	-91.7	-169.9	178.3	91	3.2	0	0	0	112	P441 N442 D475 S518	P441-D516 CarbonylContact C-O 3.57Å; P441-D516 WeakPolarHBondContact CA-O 3.5Å; P441-D516 WeakPolarHBondContact CB-O 3.28Å; N442-D516 PolarHBondContact N-O 3.49Å; D475-D516 PolarHBondContact OD1-N 3.09Å; D516-S518 VanDerWaalsContact C-N 3.25Å; D516-S518 PolarHBondContact O-N 3.18Å; D516-S518 WeakPolarHBondContact OD1-CA 3.48Å; D516-S518 PolarHBondContact OD1-N 3.3Å; D516-S518 VanDerWaalsContact OD1-O 3.09Å; D516-S518 PolarHBondContact OD1-OG 2.68Å
517	G	90.6	Very high	92.3	Very high	50 Å²	50	25.5 Å²	25.5	52%	0.515	15%	0.153	S	C	.	.	S	Bend	trans	-75.3	-5.1	-175.5	0	0	0	0	0	115.7	N442	N442-G517 PolarHBondContact OD1-N 3.47Å
518	S	88.6	Confident	92.2	Very high	59 Å²	59	24.2 Å²	24.2	41%	0.413	15%	0.145	S	C	.	.	S	Bend	trans	-141.9	176.9	-169.6	54.4	0	0	0	0	112.8	D516 N520	D516-S518 VanDerWaalsContact C-N 3.25Å; D516-S518 PolarHBondContact O-N 3.18Å; D516-S518 WeakPolarHBondContact OD1-CA 3.48Å; D516-S518 PolarHBondContact OD1-N 3.3Å; D516-S518 VanDerWaalsContact OD1-O 3.09Å; D516-S518 PolarHBondContact OD1-OG 2.68Å; S518-N520 PolarHBondContact O-ND2 3.47Å
519	V	86.7	Confident	92	Very high	69 Å²	69	23.8 Å²	23.8	42%	0.418	14%	0.143	S	C	.	.			trans	39.3	80.6	172.6	-168.5	0	0	0	0	115.3	Y439 E467	Y439-V519 PolarHBondContact OH-O 3.25Å; E467-V519 HydrophobicContact CB-CG1 4.34Å; E467-V519 HydrophobicContact CG-CB 4.04Å; E467-V519 HydrophobicContact CG-CG1 3.74Å; E467-V519 WeakPolarHBondContact OE1-CB 3.49Å; E467-V519 WeakPolarHBondContact OE1-CG2 3.43Å
520	N	88.8	Confident	91.6	Very high	44 Å²	44	26.9 Å²	26.9	24%	0.235	16%	0.156	C	C	.	.			trans	-92.3	153.5	174.7	-48.7	115.2	0	0	0	111.9	D438 Y439 S518	D438-N520 HydrophobicContact CB-CB 4.1Å; Y439-N520 HydrophobicContact CD2-CB 4.04Å; Y439-N520 WeakPolarHBondContact CD2-ND2 3.42Å; Y439-N520 HydrophobicContact CE2-CB 3.95Å; Y439-N520 VanDerWaalsContact CE2-ND2 3.31Å; Y439-N520 WeakPolarHBondContact CE2-ND2 3.42Å; Y439-N520 WeakPolarHBondContact O-CB 3.43Å; Y439-N520 PolarHBondContact O-ND2 3.38Å; S518-N520 PolarHBondContact O-ND2 3.47Å
521	K	90.1	Very high	91.2	Very high	64 Å²	64	26.7 Å²	26.7	28%	0.278	16%	0.156	S	C	.	.			trans	-135.6	173.8	177.9	-62.1	-64.5	169.3	-174.5	0	109.5	D438 Y439 E465 Y496 G523	D438-K521 CarbonylContact C-O 3.3Å; D438-K521 WeakPolarHBondContact CA-O 3.45Å; D438-K521 WeakPolarHBondContact OD1-CA 3.25Å; Y439-K521 WeakPolarHBondContact CD1-O 3.15Å; Y439-K521 HydrophobicContact CE1-CB 3.92Å; Y439-K521 WeakPolarHBondContact CE1-O 3.34Å; Y439-K521 PolarHBondContact N-O 2.88Å; E465-K521 HydrophobicContact CB-CB 4.39Å; E465-K521 WeakPolarHBondContact O-CB 3.35Å; Y496-K521 HydrophobicContact CE1-CD 4.39Å; Y496-K521 VanDerWaalsContact OH-CE 3.32Å; Y496-K521 WeakPolarHBondContact OH-CE 3.39Å; K521-G523 PolarHBondContact O-N 2.85Å
522	A	87.3	Confident	90.5	Very high	18 Å²	18	28 Å²	28	15%	0.149	16%	0.164	C	C	.	.			trans	-55.8	-28.2	-179.5	0	0	0	0	0	112.9	S432 Y435 D438	S432-A522 PolarHBondContact OG-O 3.34Å; Y435-A522 VanDerWaalsContact CD2-O 3.22Å; Y435-A522 WeakPolarHBondContact CD2-O 3.18Å; D438-A522 PolarHBondContact OD1-N 3.42Å
523	G	90.8	Very high	89.8	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-142.2	177	0	0	0	0	0	112.4	S432 E465 K521	S432-G523 VanDerWaalsContact OG-CA 3.27Å; S432-G523 WeakPolarHBondContact OG-CA 3.43Å; E465-G523 PolarHBondContact N-O 2.01Å; E465-G523 WeakPolarHBondContact O-CA 3.42Å; E465-G523 PolarHBondContact O-N 2.8Å; K521-G523 PolarHBondContact O-N 2.85Å
524	F	92.1	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.6	-173.4	67.3	-90.4	0	0	0	112.5	I430 Q431 S432 W447 F461 S463 F464 I466 L477 M511 F513 A526	I430-F524 HydrophobicContact CG2-CE2 4.33Å; Q431-F524 CarbonylContact C-O 3.17Å; Q431-F524 VanDerWaalsContact CA-O 3.24Å; Q431-F524 WeakPolarHBondContact CA-O 3.33Å; S432-F524 PolarHBondContact N-O 3.5Å; S432-F524 PolarHBondContact OG-N 2.98Å; S432-F524 PolarHBondContact OG-O 3.44Å; W447-F524 AromaticContact CH2-CZ 3.98Å; W447-F524 HydrophobicContact CH2-CZ 3.98Å; W447-F524 HydrophobicContact CZ3-CZ 4.03Å; F461-F524 HydrophobicContact CE1-CD2 4.32Å; S463-F524 WeakPolarHBondContact O-CA 3.04Å; S463-F524 WeakPolarHBondContact O-CB 3.02Å; F464-F524 HydrophobicContact CD2-CB 3.68Å; F464-F524 HydrophobicContact CD2-CG 4.48Å; F464-F524 HydrophobicContact CE2-CB 4.18Å; F464-F524 HydrophobicContact CG-CB 4.49Å; I466-F524 HydrophobicContact CD1-CD1 3.91Å; L477-F524 HydrophobicContact CD1-CE1 3.74Å; L477-F524 HydrophobicContact CD1-CE2 4.23Å; L477-F524 HydrophobicContact CD1-CZ 3.56Å; L477-F524 HydrophobicContact CD2-CD1 4.27Å; L477-F524 HydrophobicContact CD2-CD2 4.16Å; L477-F524 HydrophobicContact CD2-CE1 4.22Å; L477-F524 HydrophobicContact CD2-CE2 4.11Å; L477-F524 HydrophobicContact CD2-CG 4.24Å; L477-F524 HydrophobicContact CD2-CZ 4.14Å; L477-F524 HydrophobicContact CG-CE1 4.41Å; L477-F524 HydrophobicContact CG-CZ 4.45Å; M511-F524 HydrophobicContact CE-CE2 4.39Å; F513-F524 HydrophobicContact CB-CE1 3.94Å; F513-F524 HydrophobicContact CB-CZ 4.2Å; F513-F524 HydrophobicContact CD1-CE1 4.46Å; F513-F524 HydrophobicContact CD2-CD1 4.37Å; F513-F524 AromaticContact CD2-CE1 3.7Å; F513-F524 HydrophobicContact CD2-CE1 3.7Å; F513-F524 HydrophobicContact CE2-CE1 4.34Å; F513-F524 AromaticContact CG-CE1 3.77Å; F513-F524 HydrophobicContact CG-CE1 3.77Å; F513-F524 HydrophobicContact CG-CZ 4.47Å; F524-A526 HydrophobicContact CD2-CB 4.31Å
525	A	90.2	Very high	88.6	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.4	165.2	0	0	0	0	0	108.9	Q431 Y435 Q462 S463	Q431-A525 HydrophobicContact CG-CB 3.93Å; Y435-A525 HydrophobicContact CD1-CB 4.37Å; Y435-A525 HydrophobicContact CE1-CB 3.93Å; Y435-A525 HydrophobicContact CE2-CB 4.27Å; Q462-A525 HydrophobicContact CB-CB 4.38Å; Q462-A525 PolarHBondContact N-O 3.46Å; S463-A525 PolarHBondContact N-O 3.4Å; S463-A525 PolarHBondContact O-N 2.7Å; S463-A525 VanDerWaalsContact O-N 3.12Å; S463-A525 WeakPolarHBondContact OG-CB 3.38Å; S463-A525 PolarHBondContact OG-N 2.83Å
526	A	91.4	Very high	88	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.3	-176.8	0	0	0	0	0	111.2	Q429 I430 L459 T460 F461 F524	Q429-A526 CarbonylContact C-O 3.58Å; Q429-A526 WeakPolarHBondContact CA-O 3.37Å; Q429-A526 WeakPolarHBondContact CG-O 3.47Å; I430-A526 PolarHBondContact N-O 2.83Å; I430-A526 PolarHBondContact O-N 3.42Å; L459-A526 HydrophobicContact CD1-CB 3.91Å; L459-A526 HydrophobicContact CG-CB 4.45Å; T460-A526 CarbonylContact O-C 3.52Å; T460-A526 VanDerWaalsContact O-CA 3.29Å; T460-A526 WeakPolarHBondContact O-CA 3.37Å; F461-A526 HydrophobicContact CD1-CB 3.72Å; F461-A526 HydrophobicContact CE1-CB 3.73Å; F461-A526 HydrophobicContact CG-CB 4.4Å; F461-A526 HydrophobicContact CZ-CB 4.41Å; F524-A526 HydrophobicContact CD2-CB 4.31Å
527	N	89.7	Confident	87.4	Confident	41 Å²	41	38 Å²	38	22%	0.219	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134	173	-69.2	-9.2	0	0	0	109.2	G428 Q429 L459 T460 Q462	G428-N527 WeakPolarHBondContact O-CA 3.33Å; Q429-N527 WeakPolarHBondContact CG-OD1 3.08Å; Q429-N527 PolarHBondContact NE2-OD1 2.99Å; L459-N527 CarbonylContact C-O 3.4Å; L459-N527 WeakPolarHBondContact CA-O 3.34Å; T460-N527 PolarHBondContact N-O 2.98Å; T460-N527 PolarHBondContact O-N 2.8Å; Q462-N527 PolarHBondContact NE2-ND2 3.08Å
528	F	92.3	Very high	86.8	Confident	5 Å²	5	42.5 Å²	42.5	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.3	166.7	73.5	-88.4	0	0	0	109.9	V423 R425 N427 G428 I430 I449 V457 G458 L459	V423-F528 HydrophobicContact CG1-CE1 3.96Å; V423-F528 HydrophobicContact CG1-CE2 4.28Å; V423-F528 HydrophobicContact CG1-CZ 3.46Å; V423-F528 VanDerWaalsContact CG1-CZ 3.46Å; R425-F528 HydrophobicContact CB-CE2 4.38Å; R425-F528 HydrophobicContact CB-CZ 4.33Å; R425-F528 WeakPolarHBondContact O-CE2 3.32Å; N427-F528 VanDerWaalsContact C-CE2 3.46Å; N427-F528 CarbonylContact C-O 3.42Å; N427-F528 VanDerWaalsContact CA-O 3.26Å; N427-F528 WeakPolarHBondContact CA-O 3.48Å; G428-F528 VanDerWaalsContact CA-CE1 3.4Å; G428-F528 PolarHBondContact N-O 2.79Å; G428-F528 VanDerWaalsContact O-CD1 3.32Å; G428-F528 WeakPolarHBondContact O-CD1 3.49Å; G428-F528 PolarHBondContact O-N 2.75Å; G428-F528 VanDerWaalsContact O-O 3.09Å; I430-F528 HydrophobicContact CD1-CD1 4.48Å; I430-F528 HydrophobicContact CD1-CE1 4.15Å; I430-F528 HydrophobicContact CG1-CD1 4.02Å; I430-F528 HydrophobicContact CG1-CE1 4.19Å; I449-F528 HydrophobicContact CD1-CD1 4.24Å; I449-F528 HydrophobicContact CD1-CG 4.35Å; I449-F528 HydrophobicContact CG2-CD2 3.55Å; I449-F528 HydrophobicContact CG2-CE2 3.83Å; I449-F528 HydrophobicContact CG2-CG 3.95Å; I449-F528 HydrophobicContact CG2-CZ 4.43Å; V457-F528 HydrophobicContact CG1-CB 4.26Å; G458-F528 CarbonylContact O-C 3.41Å; G458-F528 WeakPolarHBondContact O-CA 3.5Å; L459-F528 HydrophobicContact CD1-CB 4.06Å
529	F	90.4	Very high	86.4	Confident	41 Å²	41	43 Å²	43	18%	0.18	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.4	175.6	51.4	-94.5	0	0	0	110.8	D426 N427 G458 T460 E531 L551	D426-F529 CarbonylContact O-C 3.23Å; D426-F529 WeakPolarHBondContact O-CA 3.47Å; N427-F529 HydrophobicContact CB-CB 4.11Å; G458-F529 PolarHBondContact N-O 3.17Å; G458-F529 PolarHBondContact O-N 3.23Å; T460-F529 HydrophobicContact CG2-CE1 3.78Å; T460-F529 HydrophobicContact CG2-CZ 3.99Å; F529-E531 PolarHBondContact O-N 2.89Å; F529-L551 HydrophobicContact CE2-CG 4.04Å; F529-L551 HydrophobicContact CZ-CB 4.42Å; F529-L551 HydrophobicContact CZ-CD2 3.95Å; F529-L551 HydrophobicContact CZ-CG 3.79Å
530	K	89.9	Confident	86.1	Confident	66 Å²	66	42.7 Å²	42.7	29%	0.287	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	109.3	172.1	-178.1	178.5	69.9	-167	0	108.5	D426 V451 F455	D426-K530 HydrophobicContact CB-CB 4.12Å; D426-K530 WeakPolarHBondContact O-CB 3.09Å; D426-K530 PolarHBondContact O-N 3.01Å; D426-K530 IonicContact OD2-NZ 2.68Å; D426-K530 PolarHBondContact OD2-NZ 3.32Å; V451-K530 HydrophobicContact CB-CB 4.33Å; V451-K530 HydrophobicContact CG1-CB 4.4Å; F455-K530 HydrophobicContact CB-CD 3.87Å; F455-K530 HydrophobicContact CB-CG 3.43Å; F455-K530 VanDerWaalsContact CB-CG 3.43Å; F455-K530 HydrophobicContact CD1-CD 3.81Å; F455-K530 HydrophobicContact CD1-CG 3.81Å; F455-K530 HydrophobicContact CD2-CD 3.69Å; F455-K530 HydrophobicContact CD2-CG 4.25Å; F455-K530 HydrophobicContact CE1-CD 4.24Å; F455-K530 HydrophobicContact CE2-CD 4.13Å; F455-K530 HydrophobicContact CG-CD 3.51Å; F455-K530 HydrophobicContact CG-CG 3.58Å; F455-K530 HydrophobicContact CZ-CD 4.38Å
531	E	87	Confident	85.6	Confident	3 Å²	3	40.7 Å²	40.7	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.2	176.7	169.2	59.3	-166	0	0	109.4	H456 K503 F529 N549 L551 G552	H456-E531 HydrophobicContact CB-CB 4.15Å; H456-E531 HydrophobicContact CB-CG 4.27Å; H456-E531 PolarHBondContact N-O 2.89Å; H456-E531 VanDerWaalsContact N-O 3.16Å; H456-E531 WeakPolarHBondContact O-CB 3.07Å; H456-E531 PolarHBondContact O-N 3.08Å; K503-E531 HydrophobicContact CD-CG 3.86Å; K503-E531 HydrophobicContact CG-CG 4.16Å; K503-E531 IonicContact NZ-OE1 3.45Å; K503-E531 PolarHBondContact NZ-OE1 3.09Å; K503-E531 VanDerWaalsContact NZ-OE1 3.08Å; F529-E531 PolarHBondContact O-N 2.89Å; E531-N549 PolarHBondContact OE1-ND2 2.68Å; E531-L551 HydrophobicContact CG-CD1 4.09Å; E531-G552 PolarHBondContact OE2-N 3.43Å
532	T	82.1	Confident	85.3	Confident	27 Å²	27	45.3 Å²	45.3	17%	0.166	24%	0.24	C	C	.	.			trans	-117.1	136.5	175.4	-54.7	0	0	0	0	107.7	F455 E534 N549	F455-T532 HydrophobicContact CD1-CG2 4.3Å; F455-T532 VanDerWaalsContact CD1-OG1 3.27Å; F455-T532 WeakPolarHBondContact CD1-OG1 3.24Å; F455-T532 HydrophobicContact CE1-CG2 3.98Å; F455-T532 VanDerWaalsContact CE1-OG1 3.31Å; F455-T532 WeakPolarHBondContact CE1-OG1 3.4Å; T532-E534 HydrophobicContact CG2-CG 4.5Å; T532-E534 PolarHBondContact O-N 2.95Å; T532-E534 VanDerWaalsContact O-OE2 3.14Å; T532-N549 PolarHBondContact O-OD1 2.5Å
533	D	79.8	Confident	85.1	Confident	60 Å²	60	44.9 Å²	44.9	32%	0.321	24%	0.236	S	C	.	.			trans	-81.9	94.6	166.1	-172.2	-23.1	0	0	0	108.8	C535 S536 N549	D533-C535 PolarHBondContact O-N 3.01Å; D533-C535 WeakPolarHBondContact OD1-CA 3.02Å; D533-C535 WeakPolarHBondContact OD1-CB 3.17Å; D533-C535 PolarHBondContact OD1-N 3.06Å; D533-S536 PolarHBondContact O-N 3.05Å; D533-S536 PolarHBondContact OD1-N 2.83Å; D533-S536 PolarHBondContact OD1-OG 3.06Å; D533-S536 PolarHBondContact OD2-OG 3.16Å; D533-N549 WeakPolarHBondContact CA-OD1 3.24Å
534	E	84.3	Confident	84.7	Confident	32 Å²	32	50.3 Å²	50.3	15%	0.15	26%	0.261	C	S	.	.	S	Bend	trans	-68.5	-21.6	179.4	-68	91	-174.2	0	0	113.1	T532 K537 G541 N549 Y554	T532-E534 HydrophobicContact CG2-CG 4.5Å; T532-E534 PolarHBondContact O-N 2.95Å; T532-E534 VanDerWaalsContact O-OE2 3.14Å; E534-K537 WeakPolarHBondContact O-CB 2.98Å; E534-K537 PolarHBondContact O-N 3.12Å; E534-G541 PolarHBondContact O-N 3.22Å; E534-N549 PolarHBondContact N-OD1 3Å; E534-N549 VanDerWaalsContact N-OD1 3.11Å; E534-N549 PolarHBondContact OE2-OD1 2.85Å; E534-Y554 HydrophobicContact CB-CD1 3.26Å; E534-Y554 HydrophobicContact CB-CD2 4.48Å; E534-Y554 HydrophobicContact CB-CE1 3.77Å; E534-Y554 HydrophobicContact CB-CG 3.67Å; E534-Y554 HydrophobicContact CG-CD1 3.49Å; E534-Y554 VanDerWaalsContact CG-CD1 3.49Å; E534-Y554 HydrophobicContact CG-CE1 3.89Å; E534-Y554 HydrophobicContact CG-CG 4.35Å
535	C	82.8	Confident	84.1	Confident	24 Å²	24	52.4 Å²	52.4	16%	0.162	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.4	177.8	-58.6	0	0	0	0	112.7	D533 K537 C547 V548 N549	D533-C535 PolarHBondContact O-N 3.01Å; D533-C535 WeakPolarHBondContact OD1-CA 3.02Å; D533-C535 WeakPolarHBondContact OD1-CB 3.17Å; D533-C535 PolarHBondContact OD1-N 3.06Å; C535-K537 PolarHBondContact O-N 3.02Å; C535-C547 WeakPolarHBondContact CA-SG 3.28Å; C535-C547 HydrophobicContact CB-CB 3.58Å; C535-C547 WeakPolarHBondContact CB-SG 3.36Å; C535-C547 WeakPolarHBondContact SG-CB 3.13Å; C535-C547 CovalentContact SG-SG 2.03Å; C535-C547 PolarHBondContact SG-SG 3.1Å; C535-V548 VanDerWaalsContact SG-C 3.51Å; C535-V548 PolarHBondContact SG-N 2.94Å; C535-N549 HydrophobicContact CB-CB 4.39Å; C535-N549 PolarHBondContact SG-N 3.49Å
536	S	81.1	Confident	83.6	Confident	94 Å²	94	59.2 Å²	59.2	66%	0.657	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-4	173.4	-71.8	0	0	0	0	113.8	D533	D533-S536 PolarHBondContact O-N 3.05Å; D533-S536 PolarHBondContact OD1-N 2.83Å; D533-S536 PolarHBondContact OD1-OG 3.06Å; D533-S536 PolarHBondContact OD2-OG 3.16Å
537	K	79.1	Confident	83.3	Confident	101 Å²	101	60.1 Å²	60.1	44%	0.439	30%	0.303	S	S	.	.	S	Bend	trans	-73.2	153.9	173.9	-67.6	179.6	-179.1	166.7	0	111	E534 C535 D539 N540	E534-K537 WeakPolarHBondContact O-CB 2.98Å; E534-K537 PolarHBondContact O-N 3.12Å; C535-K537 PolarHBondContact O-N 3.02Å; K537-D539 WeakPolarHBondContact CB-OD1 3.09Å; K537-D539 PolarHBondContact O-N 2.85Å; K537-N540 PolarHBondContact O-N 3.24Å
538	P	77.8	Confident	83	Confident	144 Å²	144	59.8 Å²	59.8	94%	0.935	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.4	-178.8	-22.5	32.2	0	0	0	114.5	N540	P538-N540 VanDerWaalsContact C-N 3.35Å
539	D	80.6	Confident	82.4	Confident	70 Å²	70	61.7 Å²	61.7	37%	0.374	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	5.7	178.1	64.3	-19.7	0	0	0	113.6	K537 G541 R542	K537-D539 WeakPolarHBondContact CB-OD1 3.09Å; K537-D539 PolarHBondContact O-N 2.85Å; D539-G541 PolarHBondContact O-N 3.36Å; D539-R542 HydrophobicContact CB-CG 4.25Å; D539-R542 VanDerWaalsContact O-CA 3.27Å; D539-R542 WeakPolarHBondContact O-CA 3.47Å; D539-R542 PolarHBondContact O-N 3.43Å; D539-R542 WeakPolarHBondContact OD2-CG 3.31Å; D539-R542 IonicContact OD2-NE 3.08Å; D539-R542 PolarHBondContact OD2-NE 2.79Å
540	N	79.9	Confident	81.9	Confident	61 Å²	61	62.1 Å²	62.1	33%	0.326	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	51.5	41.9	-179.9	-170.6	39.5	0	0	0	112.2	K537 P538 R542 C543 Q545 C547	K537-N540 PolarHBondContact O-N 3.24Å; P538-N540 VanDerWaalsContact C-N 3.35Å; N540-R542 PolarHBondContact O-N 3.02Å; N540-R542 VanDerWaalsContact O-N 3.1Å; N540-C543 WeakPolarHBondContact O-CB 3.41Å; N540-C543 PolarHBondContact O-N 3.1Å; N540-Q545 PolarHBondContact ND2-O 2.8Å; N540-C547 WeakPolarHBondContact O-CB 3.4Å; N540-C547 WeakPolarHBondContact OD1-CB 3.42Å
541	G	78.7	Confident	81.2	Confident	2 Å²	2	61 Å²	61	2%	0.021	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	64	12.5	-173.5	0	0	0	0	0	114.6	E534 D539 C543 Y554	E534-G541 PolarHBondContact O-N 3.22Å; D539-G541 PolarHBondContact O-N 3.36Å; G541-C543 PolarHBondContact O-N 2.77Å; G541-Y554 WeakPolarHBondContact O-CE2 3.21Å; G541-Y554 PolarHBondContact O-OH 3.5Å
542	R	83.2	Confident	80.4	Confident	161 Å²	161	62.8 Å²	62.8	61%	0.608	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	59.7	26.5	-167.7	-48.3	-178.3	-178.1	-174.6	0.3	113.4	D539 N540	D539-R542 HydrophobicContact CB-CG 4.25Å; D539-R542 VanDerWaalsContact O-CA 3.27Å; D539-R542 WeakPolarHBondContact O-CA 3.47Å; D539-R542 PolarHBondContact O-N 3.43Å; D539-R542 WeakPolarHBondContact OD2-CG 3.31Å; D539-R542 IonicContact OD2-NE 3.08Å; D539-R542 PolarHBondContact OD2-NE 2.79Å; N540-R542 PolarHBondContact O-N 3.02Å; N540-R542 VanDerWaalsContact O-N 3.1Å
543	C	83.6	Confident	80.1	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.061	35%	0.347	C	S	.	.			trans	-80.4	132.8	170.7	-59.4	0	0	0	0	109.4	N540 G541 Q545 C547 C556	N540-C543 WeakPolarHBondContact O-CB 3.41Å; N540-C543 PolarHBondContact O-N 3.1Å; G541-C543 PolarHBondContact O-N 2.77Å; C543-Q545 VanDerWaalsContact C-N 3.32Å; C543-Q545 PolarHBondContact O-N 2.7Å; C543-C547 HydrophobicContact CB-CB 4.07Å; C543-C556 WeakPolarHBondContact CA-SG 3.33Å; C543-C556 HydrophobicContact CB-CB 3.59Å; C543-C556 WeakPolarHBondContact CB-SG 3.22Å; C543-C556 WeakPolarHBondContact SG-CA 3.32Å; C543-C556 WeakPolarHBondContact SG-CB 3.41Å; C543-C556 CovalentContact SG-SG 2.03Å; C543-C556 PolarHBondContact SG-SG 3.12Å
544	E	82.2	Confident	80.3	Confident	115 Å²	115	64.3 Å²	64.3	54%	0.537	34%	0.343	S	S	.	.	S	Bend	trans	-61.6	-42.1	179.7	-175.9	-176.7	158.6	0	0	111.8	R569 S570 C571	E544-R569 WeakPolarHBondContact CB-O 3.46Å; E544-R569 PolarHBondContact N-O 3.23Å; E544-S570 WeakPolarHBondContact OE2-CA 3.11Å; E544-S570 WeakPolarHBondContact OE2-CB 3.47Å; E544-C571 PolarHBondContact OE2-N 3.37Å
545	Q	81.3	Confident	80.2	Confident	45 Å²	45	68.8 Å²	68.8	21%	0.21	36%	0.361	C	S	.	.	S	Bend	trans	-117	-84.1	-176.6	-64.7	177.1	-11.5	0	0	111.2	N540 C543 C558 C571	N540-Q545 PolarHBondContact ND2-O 2.8Å; C543-Q545 VanDerWaalsContact C-N 3.32Å; C543-Q545 PolarHBondContact O-N 2.7Å; Q545-C558 VanDerWaalsContact OE1-CA 3.29Å; Q545-C571 HydrophobicContact CG-CB 4.12Å; Q545-C571 PolarHBondContact OE1-SG 3.23Å; Q545-C571 VanDerWaalsContact OE1-SG 3.4Å
546	R	79.3	Confident	80.2	Confident	143 Å²	143	68.1 Å²	68.1	54%	0.54	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.9	-174.2	-159.7	176.7	89.5	156.9	5.4	111.3	C556 A557	R546-C556 CarbonylContact O-C 3.58Å; R546-C556 WeakPolarHBondContact O-CA 3.34Å; R546-A557 WeakPolarHBondContact CA-O 3.41Å; R546-A557 HydrophobicContact CB-CB 4.22Å; R546-A557 VanDerWaalsContact CB-O 3.22Å; R546-A557 WeakPolarHBondContact CB-O 3.35Å; R546-A557 PolarHBondContact N-O 2.93Å; R546-A557 PolarHBondContact O-N 3.47Å
547	C	85.1	Confident	80.1	Confident	19 Å²	19	64.7 Å²	64.7	13%	0.128	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.8	167	-172.5	0	0	0	0	109.5	C535 N540 C543 Y554	C535-C547 WeakPolarHBondContact CA-SG 3.28Å; C535-C547 HydrophobicContact CB-CB 3.58Å; C535-C547 WeakPolarHBondContact CB-SG 3.36Å; C535-C547 WeakPolarHBondContact SG-CB 3.13Å; C535-C547 CovalentContact SG-SG 2.03Å; C535-C547 PolarHBondContact SG-SG 3.1Å; N540-C547 WeakPolarHBondContact O-CB 3.4Å; N540-C547 WeakPolarHBondContact OD1-CB 3.42Å; C543-C547 HydrophobicContact CB-CB 4.07Å; C547-Y554 VanDerWaalsContact SG-CD2 3.55Å
548	V	83.6	Confident	79.9	Confident	34 Å²	34	61.2 Å²	61.2	21%	0.206	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.6	175	-177.3	0	0	0	0	107.9	C535 T550 Y554 K555 A557	C535-V548 VanDerWaalsContact SG-C 3.51Å; C535-V548 PolarHBondContact SG-N 2.94Å; V548-T550 PolarHBondContact O-N 2.8Å; V548-Y554 WeakPolarHBondContact O-CA 3.44Å; V548-K555 HydrophobicContact CB-CG 3.97Å; V548-K555 PolarHBondContact N-O 2.94Å; V548-K555 PolarHBondContact O-N 3.17Å; V548-A557 HydrophobicContact CG2-CB 3.89Å
549	N	79.5	Confident	79.6	Confident	44 Å²	44	58.1 Å²	58.1	24%	0.235	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.7	176.7	-162.6	68.2	0	0	0	109.2	E531 T532 D533 E534 C535	E531-N549 PolarHBondContact OE1-ND2 2.68Å; T532-N549 PolarHBondContact O-OD1 2.5Å; D533-N549 WeakPolarHBondContact CA-OD1 3.24Å; E534-N549 PolarHBondContact N-OD1 3Å; E534-N549 VanDerWaalsContact N-OD1 3.11Å; E534-N549 PolarHBondContact OE2-OD1 2.85Å; C535-N549 HydrophobicContact CB-CB 4.39Å; C535-N549 PolarHBondContact SG-N 3.49Å
550	T	79.6	Confident	78.2	Confident	50 Å²	50	57 Å²	57	31%	0.307	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165	176.3	53.7	0	0	0	0	108.8	V548 G552 S553 Y554 K555	V548-T550 PolarHBondContact O-N 2.8Å; T550-G552 PolarHBondContact O-N 3.4Å; T550-G552 VanDerWaalsContact O-N 3.16Å; T550-S553 CarbonylContact C-O 3.52Å; T550-S553 VanDerWaalsContact CA-O 3.29Å; T550-S553 WeakPolarHBondContact CA-O 3.27Å; T550-S553 PolarHBondContact N-O 3.05Å; T550-S553 PolarHBondContact O-N 2.92Å; T550-S553 PolarHBondContact OG1-O 3.02Å; T550-Y554 PolarHBondContact OG1-N 2.84Å; T550-K555 HydrophobicContact CG2-CD 4.45Å; T550-K555 HydrophobicContact CG2-CG 4.32Å
551	L	74.9	Confident	77.1	Confident	44 Å²	44	54.8 Å²	54.8	23%	0.23	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	115.8	179	-154.6	79.1	0	0	0	109.9	T460 D501 I502 K503 F529 E531 S553	T460-L551 HydrophobicContact CG2-CD2 3.73Å; D501-L551 HydrophobicContact CB-CD2 3.74Å; I502-L551 WeakPolarHBondContact O-CD2 3.1Å; K503-L551 HydrophobicContact CB-CD1 3.64Å; K503-L551 HydrophobicContact CD-CD1 4.07Å; K503-L551 HydrophobicContact CG-CD1 4.05Å; F529-L551 HydrophobicContact CE2-CG 4.04Å; F529-L551 HydrophobicContact CZ-CB 4.42Å; F529-L551 HydrophobicContact CZ-CD2 3.95Å; F529-L551 HydrophobicContact CZ-CG 3.79Å; E531-L551 HydrophobicContact CG-CD1 4.09Å; L551-S553 VanDerWaalsContact C-N 3.35Å
552	G	69.6	Low	76.5	Confident	40 Å²	40	60 Å²	60	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	4.6	179.9	0	0	0	0	0	114.7	E531 T550	E531-G552 PolarHBondContact OE2-N 3.43Å; T550-G552 PolarHBondContact O-N 3.4Å; T550-G552 VanDerWaalsContact O-N 3.16Å
553	S	76.3	Confident	75.7	Confident	61 Å²	61	55.3 Å²	55.3	43%	0.427	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-173.5	179.8	-157.9	0	0	0	0	111.3	T550 L551	T550-S553 CarbonylContact C-O 3.52Å; T550-S553 VanDerWaalsContact CA-O 3.29Å; T550-S553 WeakPolarHBondContact CA-O 3.27Å; T550-S553 PolarHBondContact N-O 3.05Å; T550-S553 PolarHBondContact O-N 2.92Å; T550-S553 PolarHBondContact OG1-O 3.02Å; L551-S553 VanDerWaalsContact C-N 3.35Å
554	Y	83.3	Confident	75.2	Confident	58 Å²	58	58 Å²	58	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.2	168.4	69.4	-76.2	0	0	0	109.2	E534 G541 C547 V548 T550	E534-Y554 HydrophobicContact CB-CD1 3.26Å; E534-Y554 HydrophobicContact CB-CD2 4.48Å; E534-Y554 HydrophobicContact CB-CE1 3.77Å; E534-Y554 HydrophobicContact CB-CG 3.67Å; E534-Y554 HydrophobicContact CG-CD1 3.49Å; E534-Y554 VanDerWaalsContact CG-CD1 3.49Å; E534-Y554 HydrophobicContact CG-CE1 3.89Å; E534-Y554 HydrophobicContact CG-CG 4.35Å; G541-Y554 WeakPolarHBondContact O-CE2 3.21Å; G541-Y554 PolarHBondContact O-OH 3.5Å; C547-Y554 VanDerWaalsContact SG-CD2 3.55Å; V548-Y554 WeakPolarHBondContact O-CA 3.44Å; T550-Y554 PolarHBondContact OG1-N 2.84Å
555	K	83.4	Confident	74.7	Confident	125 Å²	125	53 Å²	53	54%	0.543	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.7	172.5	65.9	-177.5	179.8	-178	0	110.5	V548 T550	V548-K555 HydrophobicContact CB-CG 3.97Å; V548-K555 PolarHBondContact N-O 2.94Å; V548-K555 PolarHBondContact O-N 3.17Å; T550-K555 HydrophobicContact CG2-CD 4.45Å; T550-K555 HydrophobicContact CG2-CG 4.32Å
556	C	83.3	Confident	74.2	Confident	10 Å²	10	55.7 Å²	55.7	7%	0.068	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	141.4	168.2	-55.9	0	0	0	0	109.4	C543 R546 L564 K568	C543-C556 WeakPolarHBondContact CA-SG 3.33Å; C543-C556 HydrophobicContact CB-CB 3.59Å; C543-C556 WeakPolarHBondContact CB-SG 3.22Å; C543-C556 WeakPolarHBondContact SG-CA 3.32Å; C543-C556 WeakPolarHBondContact SG-CB 3.41Å; C543-C556 CovalentContact SG-SG 2.03Å; C543-C556 PolarHBondContact SG-SG 3.12Å; R546-C556 CarbonylContact O-C 3.58Å; R546-C556 WeakPolarHBondContact O-CA 3.34Å; C556-L564 HydrophobicContact CB-CD1 3.7Å; C556-K568 WeakPolarHBondContact CB-O 3.15Å
557	A	77.6	Confident	74.2	Confident	23 Å²	23	53 Å²	53	19%	0.19	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.8	173.4	0	0	0	0	0	107.8	R546 V548	R546-A557 WeakPolarHBondContact CA-O 3.41Å; R546-A557 HydrophobicContact CB-CB 4.22Å; R546-A557 VanDerWaalsContact CB-O 3.22Å; R546-A557 WeakPolarHBondContact CB-O 3.35Å; R546-A557 PolarHBondContact N-O 2.93Å; R546-A557 PolarHBondContact O-N 3.47Å; V548-A557 HydrophobicContact CG2-CB 3.89Å
558	C	76.1	Confident	73.9	Confident	27 Å²	27	59.6 Å²	59.6	18%	0.182	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-103.7	154.5	178.4	-56.9	0	0	0	0	110.2	Q545 Y562 L564 C571	Q545-C558 VanDerWaalsContact OE1-CA 3.29Å; C558-Y562 WeakPolarHBondContact CB-O 3.44Å; C558-L564 VanDerWaalsContact SG-CA 3.57Å; C558-C571 WeakPolarHBondContact CA-SG 3.14Å; C558-C571 HydrophobicContact CB-CB 3.75Å; C558-C571 WeakPolarHBondContact CB-SG 3.31Å; C558-C571 WeakPolarHBondContact SG-CA 3.27Å; C558-C571 WeakPolarHBondContact SG-CB 3.47Å; C558-C571 CovalentContact SG-SG 2.03Å; C558-C571 PolarHBondContact SG-SG 3.46Å
559	D	70.9	Confident	73.8	Confident	80 Å²	80	62.8 Å²	62.8	43%	0.428	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.1	153.7	171.5	-68.6	-32.9	0	0	0	110	G561 Y562	D559-G561 PolarHBondContact O-N 2.8Å; D559-Y562 PolarHBondContact O-N 3.42Å
560	P	51	Low	73.8	Confident	45 Å²	45	62.8 Å²	62.8	29%	0.292	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	128.4	178.8	-23.1	30.3	0	0	0	111.8	G577	P560-G577 WeakPolarHBondContact O-CA 3.44Å
561	G	56.3	Low	73.5	Confident	15 Å²	15	60.9 Å²	60.9	16%	0.155	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	1.5	-173.2	0	0	0	0	0	114.5	D559 A574 G576	D559-G561 PolarHBondContact O-N 2.8Å; G561-A574 CarbonylContact O-C 3.56Å; G561-A574 PolarHBondContact O-N 2.99Å; G561-G576 VanDerWaalsContact CA-C 3.45Å
562	Y	66.1	Low	73.5	Confident	113 Å²	113	64 Å²	64	44%	0.443	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145	173.8	-65.2	-97.1	0	0	0	110.8	C558 D559 C571 E572 A573	C558-Y562 WeakPolarHBondContact CB-O 3.44Å; D559-Y562 PolarHBondContact O-N 3.42Å; Y562-C571 HydrophobicContact CD1-CB 4.39Å; Y562-C571 HydrophobicContact CG-CB 4.48Å; Y562-E572 CarbonylContact C-O 3.55Å; Y562-E572 WeakPolarHBondContact CA-O 3.46Å; Y562-E572 WeakPolarHBondContact CB-O 3.3Å; Y562-A573 HydrophobicContact CD1-CB 4.49Å; Y562-A573 HydrophobicContact CE1-CB 4.34Å
563	E	65.9	Low	73	Confident	61 Å²	61	66.1 Å²	66.1	29%	0.285	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.6	173.1	69.1	-168.3	163.2	0	0	109.9	A565 C571 E572 A574 K599	E563-A565 PolarHBondContact O-N 2.75Å; E563-C571 CarbonylContact O-C 3.48Å; E563-C571 WeakPolarHBondContact O-CA 3.37Å; E563-E572 HydrophobicContact CG-CB 4.47Å; E563-E572 PolarHBondContact N-O 3.43Å; E563-E572 PolarHBondContact O-N 2.68Å; E563-A574 HydrophobicContact CB-CB 3.59Å; E563-A574 HydrophobicContact CG-CB 3.75Å; E563-A574 VanDerWaalsContact N-CB 3.31Å; E563-K599 IonicContact OE1-NZ 3.08Å; E563-K599 PolarHBondContact OE1-NZ 3.24Å; E563-K599 IonicContact OE2-NZ 2.75Å; E563-K599 PolarHBondContact OE2-NZ 3.48Å; E563-K599 VanDerWaalsContact OE2-NZ 3.12Å
564	L	74.6	Confident	72.3	Confident	67 Å²	67	64.4 Å²	64.4	35%	0.351	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.5	179.8	-164.4	74.1	0	0	0	108.8	C556 C558 K568	C556-L564 HydrophobicContact CB-CD1 3.7Å; C558-L564 VanDerWaalsContact SG-CA 3.57Å; L564-K568 HydrophobicContact CD2-CB 3.99Å; L564-K568 HydrophobicContact CD2-CG 4.45Å
565	A	71.2	Confident	71.9	Confident	8 Å²	8	62.8 Å²	62.8	7%	0.066	35%	0.349	C	S	.	.			trans	-59.9	166.8	179.4	0	0	0	0	0	111.4	E563 D567 K568 S570 E572	E563-A565 PolarHBondContact O-N 2.75Å; A565-D567 PolarHBondContact O-N 3.32Å; A565-K568 PolarHBondContact O-N 2.9Å; A565-S570 WeakPolarHBondContact CB-O 3.5Å; A565-S570 PolarHBondContact N-O 2.89Å; A565-E572 HydrophobicContact CB-CG 3.87Å; A565-E572 WeakPolarHBondContact CB-OE1 3.46Å
566	A	70.6	Confident	71.7	Confident	103 Å²	103	57.9 Å²	57.9	85%	0.851	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.5	-179.5	0	0	0	0	0	113.7	K568	A566-K568 PolarHBondContact O-N 3.39Å
567	D	80.2	Confident	71.7	Confident	86 Å²	86	58 Å²	58	46%	0.46	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5	176.3	73.8	-4.1	0	0	0	114.3	A565 R569 S570	A565-D567 PolarHBondContact O-N 3.32Å; D567-R569 PolarHBondContact O-N 3.24Å; D567-R569 PolarHBondContact OD1-N 3.46Å; D567-S570 PolarHBondContact OD1-N 3.08Å; D567-S570 WeakPolarHBondContact OD2-CB 3.46Å; D567-S570 PolarHBondContact OD2-N 3.4Å; D567-S570 PolarHBondContact OD2-OG 2.86Å
568	K	78.9	Confident	71.9	Confident	157 Å²	157	62 Å²	62	68%	0.683	35%	0.35	S	S	*	.	S	Bend	trans	58.1	21.7	-176.8	-58.4	-178.1	-179.3	177.8	0	114.5	C556 L564 A565 A566	C556-K568 WeakPolarHBondContact CB-O 3.15Å; L564-K568 HydrophobicContact CD2-CB 3.99Å; L564-K568 HydrophobicContact CD2-CG 4.45Å; A565-K568 PolarHBondContact O-N 2.9Å; A566-K568 PolarHBondContact O-N 3.39Å
569	R	80.8	Confident	72.3	Confident	102 Å²	102	62.3 Å²	62.3	39%	0.385	35%	0.35	S	S	.	.	S	Bend	trans	-133.8	-42.3	-176.8	-72.6	-175.5	175	167.8	1.9	113.2	E544 D567	E544-R569 WeakPolarHBondContact CB-O 3.46Å; E544-R569 PolarHBondContact N-O 3.23Å; D567-R569 PolarHBondContact O-N 3.24Å; D567-R569 PolarHBondContact OD1-N 3.46Å
570	S	79.5	Confident	73	Confident	43 Å²	43	62.9 Å²	62.9	30%	0.301	36%	0.356	S	S	.	.	S	Bend	trans	-85.8	158.4	179.6	-51.8	0	0	0	0	110.4	E544 A565 D567	E544-S570 WeakPolarHBondContact OE2-CA 3.11Å; E544-S570 WeakPolarHBondContact OE2-CB 3.47Å; A565-S570 WeakPolarHBondContact CB-O 3.5Å; A565-S570 PolarHBondContact N-O 2.89Å; D567-S570 PolarHBondContact OD1-N 3.08Å; D567-S570 WeakPolarHBondContact OD2-CB 3.46Å; D567-S570 PolarHBondContact OD2-N 3.4Å; D567-S570 PolarHBondContact OD2-OG 2.86Å
571	C	73.6	Confident	74.5	Confident	10 Å²	10	68 Å²	68	7%	0.068	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.3	-175.7	-71.2	0	0	0	0	109.1	E544 Q545 C558 Y562 E563	E544-C571 PolarHBondContact OE2-N 3.37Å; Q545-C571 HydrophobicContact CG-CB 4.12Å; Q545-C571 PolarHBondContact OE1-SG 3.23Å; Q545-C571 VanDerWaalsContact OE1-SG 3.4Å; C558-C571 WeakPolarHBondContact CA-SG 3.14Å; C558-C571 HydrophobicContact CB-CB 3.75Å; C558-C571 WeakPolarHBondContact CB-SG 3.31Å; C558-C571 WeakPolarHBondContact SG-CA 3.27Å; C558-C571 WeakPolarHBondContact SG-CB 3.47Å; C558-C571 CovalentContact SG-SG 2.03Å; C558-C571 PolarHBondContact SG-SG 3.46Å; Y562-C571 HydrophobicContact CD1-CB 4.39Å; Y562-C571 HydrophobicContact CG-CB 4.48Å; E563-C571 CarbonylContact O-C 3.48Å; E563-C571 WeakPolarHBondContact O-CA 3.37Å
572	E	74.3	Confident	75.6	Confident	110 Å²	110	71 Å²	71	51%	0.514	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.7	177.5	-75.6	171.9	-161.2	0	0	110.3	Y562 E563 A565 A574	Y562-E572 CarbonylContact C-O 3.55Å; Y562-E572 WeakPolarHBondContact CA-O 3.46Å; Y562-E572 WeakPolarHBondContact CB-O 3.3Å; E563-E572 HydrophobicContact CG-CB 4.47Å; E563-E572 PolarHBondContact N-O 3.43Å; E563-E572 PolarHBondContact O-N 2.68Å; A565-E572 HydrophobicContact CB-CG 3.87Å; A565-E572 WeakPolarHBondContact CB-OE1 3.46Å; E572-A574 PolarHBondContact O-N 2.97Å; E572-A574 VanDerWaalsContact O-N 3.08Å
573	A	59.1	Low	76.6	Confident	85 Å²	85	71 Å²	71	70%	0.702	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	116.9	178.8	0	0	0	0	0	110.1	Y562	Y562-A573 HydrophobicContact CD1-CB 4.49Å; Y562-A573 HydrophobicContact CE1-CB 4.34Å
574	A	62.4	Low	77.7	Confident	25 Å²	25	69.6 Å²	69.6	21%	0.207	40%	0.395	C	S	.	.			trans	-113	175.2	179.2	0	0	0	0	0	110.8	G561 E563 E572	G561-A574 CarbonylContact O-C 3.56Å; G561-A574 PolarHBondContact O-N 2.99Å; E563-A574 HydrophobicContact CB-CB 3.59Å; E563-A574 HydrophobicContact CG-CB 3.75Å; E563-A574 VanDerWaalsContact N-CB 3.31Å; E572-A574 PolarHBondContact O-N 2.97Å; E572-A574 VanDerWaalsContact O-N 3.08Å
575	C	74.8	Confident	78.3	Confident	24 Å²	24	69.7 Å²	69.7	16%	0.162	40%	0.401	C	S	.	.	S	Bend	trans	-71	135.8	168.5	49.3	0	0	0	0	110.5	P589 C601 W603	C575-P589 HydrophobicContact CB-CB 3.9Å; C575-P589 HydrophobicContact CB-CG 3.94Å; C575-C601 HydrophobicContact CB-CB 3.66Å; C575-C601 WeakPolarHBondContact CB-SG 3.49Å; C575-C601 WeakPolarHBondContact O-CA 3.35Å; C575-C601 WeakPolarHBondContact O-CB 3.24Å; C575-C601 WeakPolarHBondContact SG-CB 3.41Å; C575-C601 CovalentContact SG-SG 2.01Å; C575-C601 PolarHBondContact SG-SG 3.37Å; C575-W603 HydrophobicContact CB-CZ2 4.41Å
576	G	77.6	Confident	79.4	Confident	22 Å²	22	69.5 Å²	69.5	23%	0.227	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-167.4	-176.9	0	0	0	0	0	112	G561 I602 W603	G561-G576 VanDerWaalsContact CA-C 3.45Å; G576-I602 CarbonylContact C-O 3.55Å; G576-I602 WeakPolarHBondContact CA-O 3.45Å; G576-W603 VanDerWaalsContact CA-NE1 3.34Å
577	G	83.3	Confident	80.3	Confident	11 Å²	11	67.2 Å²	67.2	11%	0.113	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.6	157.6	174.3	0	0	0	0	0	114.1	P560 I602 W603 Q604	P560-G577 WeakPolarHBondContact O-CA 3.44Å; G577-I602 PolarHBondContact N-O 2.47Å; G577-W603 WeakPolarHBondContact O-CA 3.35Å; G577-Q604 PolarHBondContact O-N 3Å
578	F	82	Confident	80.8	Confident	107 Å²	107	63.1 Å²	63.1	47%	0.469	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.1	162.6	-166.5	-96	0	0	0	109.3	T580 Q604 V606 L639	F578-T580 HydrophobicContact CD1-CG2 3.82Å; F578-T580 HydrophobicContact CE1-CG2 3.37Å; F578-T580 HydrophobicContact CZ-CG2 4.39Å; F578-Q604 CarbonylContact C-O 3.54Å; F578-Q604 WeakPolarHBondContact CA-O 3.44Å; F578-Q604 HydrophobicContact CD2-CB 3.73Å; F578-Q604 HydrophobicContact CE2-CB 4.28Å; F578-V606 HydrophobicContact CE1-CB 4.35Å; F578-V606 HydrophobicContact CE1-CG2 4.31Å; F578-V606 HydrophobicContact CE2-CB 4.37Å; F578-V606 HydrophobicContact CE2-CG2 3.49Å; F578-V606 VanDerWaalsContact CE2-CG2 3.49Å; F578-V606 HydrophobicContact CZ-CB 3.77Å; F578-V606 HydrophobicContact CZ-CG1 4.46Å; F578-V606 HydrophobicContact CZ-CG2 3.34Å; F578-L639 HydrophobicContact CE2-CD1 4.45Å
579	I	85.4	Confident	81	Confident	35 Å²	35	56.8 Å²	56.8	18%	0.179	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.4	-173.5	-54.5	170.8	0	0	0	109.4	K581 I586 Q604 L605 V606 F684	I579-K581 HydrophobicContact CG2-CB 4.03Å; I579-K581 HydrophobicContact CG2-CG 4.37Å; I579-I586 HydrophobicContact CD1-CG2 3.88Å; I579-Q604 PolarHBondContact N-O 2.98Å; I579-L605 HydrophobicContact CB-CD2 3.69Å; I579-L605 HydrophobicContact CD1-CD2 3.8Å; I579-L605 HydrophobicContact CG1-CD2 4.17Å; I579-L605 HydrophobicContact CG2-CD2 4.29Å; I579-L605 WeakPolarHBondContact O-CA 3.49Å; I579-V606 PolarHBondContact O-N 3.48Å; I579-F684 HydrophobicContact CD1-CE1 4.34Å; I579-F684 HydrophobicContact CG2-CE1 4.33Å; I579-F684 HydrophobicContact CG2-CE2 4.2Å; I579-F684 HydrophobicContact CG2-CZ 3.55Å
580	T	85.6	Confident	80.7	Confident	92 Å²	92	54.1 Å²	54.1	56%	0.564	33%	0.332	S	S	*	.			trans	-103.9	2.6	177.5	53.9	0	0	0	0	113.8	F578 V606	F578-T580 HydrophobicContact CD1-CG2 3.82Å; F578-T580 HydrophobicContact CE1-CG2 3.37Å; F578-T580 HydrophobicContact CZ-CG2 4.39Å; T580-V606 VanDerWaalsContact CA-O 3.32Å; T580-V606 WeakPolarHBondContact CA-O 3.18Å
581	K	81.3	Confident	80.8	Confident	153 Å²	153	55.4 Å²	55.4	67%	0.665	33%	0.33	S	S	*	.			trans	-66.2	143.2	175.5	-64.8	-177	179.1	178.2	0	109.1	I579 N583 F684	I579-K581 HydrophobicContact CG2-CB 4.03Å; I579-K581 HydrophobicContact CG2-CG 4.37Å; K581-N583 VanDerWaalsContact C-N 3.28Å; K581-N583 WeakPolarHBondContact CB-O 3.11Å; K581-N583 PolarHBondContact O-N 3.28Å; K581-F684 WeakPolarHBondContact O-CE2 3.39Å
582	L	80.7	Confident	81.2	Confident	77 Å²	77	59.5 Å²	59.5	40%	0.403	36%	0.357	S	S	.	.	S	Bend	trans	-72.9	-23.3	179.1	-64.9	176.1	0	0	0	112.4	A607 P608 Y611 F685 S686	L582-A607 HydrophobicContact CD2-CB 4.33Å; L582-P608 VanDerWaalsContact CD2-CD 3.49Å; L582-P608 HydrophobicContact CD2-CG 4.25Å; L582-Y611 HydrophobicContact CD2-CD1 4.5Å; L582-F685 CarbonylContact O-C 3.53Å; L582-F685 WeakPolarHBondContact O-CA 3.45Å; L582-S686 WeakPolarHBondContact O-CB 3.35Å; L582-S686 PolarHBondContact O-N 3.01Å; L582-S686 PolarHBondContact O-OG 3Å; L582-S686 VanDerWaalsContact O-OG 3.05Å
583	N	86.9	Confident	81.3	Confident	113 Å²	113	64 Å²	64	60%	0.604	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	162	172.2	61.2	16.1	0	0	0	111	K581 F684 F685	K581-N583 VanDerWaalsContact C-N 3.28Å; K581-N583 WeakPolarHBondContact CB-O 3.11Å; K581-N583 PolarHBondContact O-N 3.28Å; N583-F684 CarbonylContact C-O 3.5Å; N583-F684 VanDerWaalsContact CA-O 3.24Å; N583-F684 WeakPolarHBondContact CA-O 3.31Å; N583-F685 HydrophobicContact CB-CB 4.11Å
584	G	87.9	Confident	82.5	Confident	31 Å²	31	65.9 Å²	65.9	32%	0.32	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-167.7	178.4	0	0	0	0	0	112.7	Q683 F684	G584-Q683 WeakPolarHBondContact O-CA 3.47Å; G584-F684 VanDerWaalsContact C-CE1 3.48Å; G584-F684 PolarHBondContact N-O 3.35Å; G584-F684 PolarHBondContact O-N 3.03Å
585	S	89.3	Confident	83.7	Confident	69 Å²	69	64.8 Å²	64.8	48%	0.483	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.6	172.8	62.8	0	0	0	0	110.6	A682	S585-A682 CarbonylContact C-O 3.49Å; S585-A682 WeakPolarHBondContact CA-O 3.19Å; S585-A682 WeakPolarHBondContact CB-O 3.43Å
586	I	92.4	Very high	84.1	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146	172.3	61.6	173.7	0	0	0	108.3	I579 W603 L615 I667 F680 A682 F684	I579-I586 HydrophobicContact CD1-CG2 3.88Å; I586-W603 HydrophobicContact CB-CD2 4.42Å; I586-W603 HydrophobicContact CB-CG 4.43Å; I586-W603 HydrophobicContact CD1-CD2 4.21Å; I586-W603 HydrophobicContact CD1-CE3 4.35Å; I586-W603 HydrophobicContact CD1-CG 4.32Å; I586-W603 HydrophobicContact CG2-CG 4.03Å; I586-L615 HydrophobicContact CD1-CD1 4.05Å; I586-L615 HydrophobicContact CG1-CD1 4.46Å; I586-I667 HydrophobicContact CD1-CB 4.37Å; I586-I667 HydrophobicContact CD1-CD1 4.46Å; I586-I667 HydrophobicContact CD1-CG1 4.28Å; I586-I667 HydrophobicContact CD1-CG2 4.18Å; I586-F680 HydrophobicContact CD1-CE2 4.43Å; I586-F680 HydrophobicContact CG1-CE2 4.42Å; I586-A682 HydrophobicContact CD1-CB 4.45Å; I586-A682 HydrophobicContact CG1-CB 3.92Å; I586-A682 PolarHBondContact N-O 3.16Å; I586-A682 PolarHBondContact O-N 3.4Å; I586-F684 HydrophobicContact CG2-CD1 4.15Å; I586-F684 HydrophobicContact CG2-CE1 4.09Å
587	T	91.1	Very high	84.4	Confident	55 Å²	55	67.7 Å²	67.7	34%	0.337	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.1	-179.4	53.5	0	0	0	0	109.9	W591 W603 F680 K681	T587-W591 HydrophobicContact CG2-CB 4.34Å; T587-W591 HydrophobicContact CG2-CG 4.03Å; T587-W603 VanDerWaalsContact O-CZ2 3.3Å; T587-W603 WeakPolarHBondContact O-CZ2 3.28Å; T587-F680 CarbonylContact C-O 3.48Å; T587-F680 WeakPolarHBondContact CA-O 2.91Å; T587-K681 HydrophobicContact CG2-CB 4.06Å; T587-K681 HydrophobicContact CG2-CD 4.41Å; T587-K681 HydrophobicContact CG2-CG 3.85Å
588	S	89.8	Confident	84.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.391	C	S	.	.			trans	-57.9	147.7	166.3	54.8	0	0	0	0	110.6	G590 W591 G679 F680	S588-G590 PolarHBondContact O-N 3.02Å; S588-W591 VanDerWaalsContact O-CB 3.28Å; S588-W591 WeakPolarHBondContact O-CB 3.34Å; S588-W591 PolarHBondContact O-N 3.2Å; S588-G679 WeakPolarHBondContact OG-CA 3.27Å; S588-F680 PolarHBondContact N-O 2.72Å; S588-F680 PolarHBondContact OG-N 2.95Å; S588-F680 PolarHBondContact OG-O 2.8Å
589	P	84.1	Confident	84.5	Confident	23 Å²	23	69.7 Å²	69.7	15%	0.149	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	137.3	173.2	18.2	-29.2	0	0	0	110.6	C575 W591 Y595 P596 K599 C601 F669	C575-P589 HydrophobicContact CB-CB 3.9Å; C575-P589 HydrophobicContact CB-CG 3.94Å; P589-W591 VanDerWaalsContact C-N 3.3Å; P589-W591 PolarHBondContact O-N 2.73Å; P589-Y595 VanDerWaalsContact O-CA 3.25Å; P589-Y595 WeakPolarHBondContact O-CA 3.39Å; P589-Y595 WeakPolarHBondContact O-CB 3.37Å; P589-P596 HydrophobicContact CB-CG 4.25Å; P589-K599 HydrophobicContact CG-CB 4.35Å; P589-K599 HydrophobicContact CG-CG 4.36Å; P589-C601 WeakPolarHBondContact CD-SG 3.22Å; P589-C601 VanDerWaalsContact CG-SG 3.58Å; P589-F669 HydrophobicContact CG-CD1 4.49Å; P589-F669 HydrophobicContact CG-CE1 4.24Å
590	G	74.6	Confident	84.6	Confident	46 Å²	46	71.8 Å²	71.8	47%	0.474	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-11.5	179.8	0	0	0	0	0	115.6	S588 R593	S588-G590 PolarHBondContact O-N 3.02Å; G590-R593 CarbonylContact C-O 3.55Å; G590-R593 WeakPolarHBondContact O-CA 3.17Å; G590-R593 VanDerWaalsContact O-CB 3.27Å; G590-R593 WeakPolarHBondContact O-CB 3.49Å; G590-R593 PolarHBondContact O-N 3.09Å
591	W	81.1	Confident	84.7	Confident	70 Å²	70	67.4 Å²	67.4	27%	0.265	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	134	-179.7	179.9	-90.2	0	0	0	112.6	T587 S588 P589 V619 K678 K681	T587-W591 HydrophobicContact CG2-CB 4.34Å; T587-W591 HydrophobicContact CG2-CG 4.03Å; S588-W591 VanDerWaalsContact O-CB 3.28Å; S588-W591 WeakPolarHBondContact O-CB 3.34Å; S588-W591 PolarHBondContact O-N 3.2Å; P589-W591 VanDerWaalsContact C-N 3.3Å; P589-W591 PolarHBondContact O-N 2.73Å; W591-V619 HydrophobicContact CH2-CB 3.6Å; W591-V619 HydrophobicContact CH2-CG1 3.6Å; W591-V619 HydrophobicContact CH2-CG2 3.93Å; W591-V619 HydrophobicContact CZ2-CB 4.25Å; W591-V619 HydrophobicContact CZ2-CG2 4.21Å; W591-V619 HydrophobicContact CZ3-CB 4.32Å; W591-V619 HydrophobicContact CZ3-CG1 4.14Å; W591-K678 HydrophobicContact CZ3-CB 4.2Å; W591-K678 WeakPolarHBondContact CZ3-O 3.43Å; W591-K681 HydrophobicContact CD2-CB 4.32Å; W591-K681 HydrophobicContact CZ2-CB 4.04Å
592	P	81	Confident	85.1	Confident	97 Å²	97	62.1 Å²	62.1	63%	0.63	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.9	9.7	8.4	36.2	-37.4	0	0	0	115.2
593	R	78	Confident	85.6	Confident	205 Å²	205	59.1 Å²	59.1	77%	0.774	33%	0.326	S	S	*	.	S	Bend	trans	-81.9	169.1	171.8	-55.2	-178.4	-177.7	171.7	0.9	109.9	G590	G590-R593 CarbonylContact C-O 3.55Å; G590-R593 WeakPolarHBondContact O-CA 3.17Å; G590-R593 VanDerWaalsContact O-CB 3.27Å; G590-R593 WeakPolarHBondContact O-CB 3.49Å; G590-R593 PolarHBondContact O-N 3.09Å
594	E	82.8	Confident	85.8	Confident	124 Å²	124	55.3 Å²	55.3	58%	0.579	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-58.7	142.8	177.7	-63.4	176.8	-177.6	0	0	111.7	K677	E594-K677 WeakPolarHBondContact CA-O 3.48Å; E594-K677 WeakPolarHBondContact CB-O 3.12Å
595	Y	87.5	Confident	86	Confident	2 Å²	2	54 Å²	54	1%	0.008	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-73.5	150.1	179.8	53.2	-99.3	0	0	0	111.6	P589 T622 E623 D631 F669 S676 K677 G679	P589-Y595 VanDerWaalsContact O-CA 3.25Å; P589-Y595 WeakPolarHBondContact O-CA 3.39Å; P589-Y595 WeakPolarHBondContact O-CB 3.37Å; Y595-T622 HydrophobicContact CE1-CG2 4.23Å; Y595-E623 PolarHBondContact OH-N 2.9Å; Y595-E623 VanDerWaalsContact OH-N 3.13Å; Y595-D631 WeakPolarHBondContact CE2-OD2 3.1Å; Y595-D631 PolarHBondContact OH-OD2 3.31Å; Y595-F669 AromaticContact CD1-CZ 3.86Å; Y595-F669 HydrophobicContact CD1-CZ 3.86Å; Y595-F669 HydrophobicContact CD2-CE1 4.2Å; Y595-F669 AromaticContact CD2-CZ 3.65Å; Y595-F669 HydrophobicContact CD2-CZ 3.65Å; Y595-F669 HydrophobicContact CE1-CZ 4.1Å; Y595-F669 AromaticContact CE2-CZ 3.92Å; Y595-F669 HydrophobicContact CE2-CZ 3.92Å; Y595-F669 HydrophobicContact CG-CE1 4.05Å; Y595-F669 AromaticContact CG-CZ 3.62Å; Y595-F669 HydrophobicContact CG-CZ 3.62Å; Y595-S676 WeakPolarHBondContact O-CB 3.42Å; Y595-S676 PolarHBondContact O-OG 3.38Å; Y595-K677 WeakPolarHBondContact CD1-O 3.12Å; Y595-K677 HydrophobicContact CE1-CB 3.93Å; Y595-K677 WeakPolarHBondContact CE1-O 3.05Å; Y595-K677 VanDerWaalsContact CZ-N 3.31Å; Y595-K677 PolarHBondContact N-O 2.88Å; Y595-K677 VanDerWaalsContact N-O 3.16Å; Y595-K677 PolarHBondContact OH-N 2.76Å; Y595-G679 VanDerWaalsContact CD1-CA 3.41Å
596	P	84.8	Confident	86.1	Confident	47 Å²	47	52.1 Å²	52.1	31%	0.305	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-69.2	150.3	176.5	-2.2	14.9	0	0	0	111.8	P589 K599 S671	P589-P596 HydrophobicContact CB-CG 4.25Å; P596-K599 HydrophobicContact CB-CG 3.88Å; P596-K599 HydrophobicContact CG-CG 3.91Å; P596-S671 PolarHBondContact O-OG 3.45Å
597	P	83.4	Confident	85.8	Confident	60 Å²	60	52.1 Å²	52.1	39%	0.39	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	159.9	171.1	29	-34.4	0	0	0	111.9	K599 D672	P597-K599 VanDerWaalsContact C-N 3.29Å; P597-K599 PolarHBondContact O-N 3.15Å; P597-D672 CarbonylContact C-O 3.49Å; P597-D672 VanDerWaalsContact CA-O 3.23Å; P597-D672 WeakPolarHBondContact CA-O 3.28Å; P597-D672 WeakPolarHBondContact CB-O 3.32Å
598	N	82.5	Confident	85.4	Confident	111 Å²	111	52.9 Å²	52.9	59%	0.594	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	31.9	178.7	-58.6	-68.2	0	0	0	114.7	S671 D672 N673	N598-S671 VanDerWaalsContact CA-O 3.24Å; N598-S671 WeakPolarHBondContact CA-O 3.4Å; N598-S671 PolarHBondContact N-O 2.82Å; N598-S671 PolarHBondContact N-OG 2.94Å; N598-D672 PolarHBondContact N-O 2.84Å; N598-N673 WeakPolarHBondContact ND2-CB 3.38Å; N598-N673 WeakPolarHBondContact OD1-CB 2.96Å; N598-N673 PolarHBondContact OD1-N 3.31Å
599	K	83.9	Confident	84.5	Confident	49 Å²	49	58.8 Å²	58.8	21%	0.213	32%	0.318	C	S	.	.			trans	-93.1	141.2	177.5	-69.4	-62.5	178.3	-171	0	111.1	E563 P589 P596 P597 K670 S671	E563-K599 IonicContact OE1-NZ 3.08Å; E563-K599 PolarHBondContact OE1-NZ 3.24Å; E563-K599 IonicContact OE2-NZ 2.75Å; E563-K599 PolarHBondContact OE2-NZ 3.48Å; E563-K599 VanDerWaalsContact OE2-NZ 3.12Å; P589-K599 HydrophobicContact CG-CB 4.35Å; P589-K599 HydrophobicContact CG-CG 4.36Å; P596-K599 HydrophobicContact CB-CG 3.88Å; P596-K599 HydrophobicContact CG-CG 3.91Å; P597-K599 VanDerWaalsContact C-N 3.29Å; P597-K599 PolarHBondContact O-N 3.15Å; K599-K670 CarbonylContact O-C 3.54Å; K599-K670 VanDerWaalsContact O-CA 3.27Å; K599-K670 WeakPolarHBondContact O-CA 3.09Å; K599-S671 PolarHBondContact N-OG 3.4Å; K599-S671 PolarHBondContact O-N 2.86Å
600	N	87.8	Confident	84	Confident	78 Å²	78	63.4 Å²	63.4	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	92.8	174	-176.6	9.7	0	0	0	108.7	E668 F669 K670	N600-E668 PolarHBondContact OD1-OE1 2.81Å; N600-F669 CarbonylContact C-O 3.57Å; N600-F669 WeakPolarHBondContact CA-O 3.37Å; N600-K670 HydrophobicContact CB-CG 4.37Å; N600-K670 WeakPolarHBondContact ND2-CE 3Å; N600-K670 WeakPolarHBondContact OD1-CE 3.46Å
601	C	87.4	Confident	84.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.3	-176.8	-43.5	0	0	0	0	110	C575 P589 W603 E668 F669	C575-C601 HydrophobicContact CB-CB 3.66Å; C575-C601 WeakPolarHBondContact CB-SG 3.49Å; C575-C601 WeakPolarHBondContact O-CA 3.35Å; C575-C601 WeakPolarHBondContact O-CB 3.24Å; C575-C601 WeakPolarHBondContact SG-CB 3.41Å; C575-C601 CovalentContact SG-SG 2.01Å; C575-C601 PolarHBondContact SG-SG 3.37Å; P589-C601 WeakPolarHBondContact CD-SG 3.22Å; P589-C601 VanDerWaalsContact CG-SG 3.58Å; C601-W603 HydrophobicContact CB-CE3 4.3Å; C601-W603 HydrophobicContact CB-CH2 3.34Å; C601-W603 HydrophobicContact CB-CZ2 3.98Å; C601-W603 HydrophobicContact CB-CZ3 3.52Å; C601-E668 CarbonylContact O-C 3.53Å; C601-E668 WeakPolarHBondContact O-CA 3.29Å; C601-F669 HydrophobicContact CB-CB 4.23Å; C601-F669 HydrophobicContact CB-CD1 4.44Å; C601-F669 PolarHBondContact N-O 3.27Å; C601-F669 PolarHBondContact O-N 2.87Å
602	I	89.8	Confident	84.5	Confident	43 Å²	43	65.5 Å²	65.5	22%	0.221	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.9	177.9	-58.4	167.8	0	0	0	109.6	G576 G577 Q604 R666 I667 E668	G576-I602 CarbonylContact C-O 3.55Å; G576-I602 WeakPolarHBondContact CA-O 3.45Å; G577-I602 PolarHBondContact N-O 2.47Å; I602-Q604 HydrophobicContact CG2-CG 4.29Å; I602-R666 HydrophobicContact CG2-CG 4.08Å; I602-I667 CarbonylContact C-O 3.45Å; I602-I667 WeakPolarHBondContact CA-O 3.49Å; I602-E668 HydrophobicContact CG1-CB 4.46Å; I602-E668 HydrophobicContact CG1-CG 4.16Å
603	W	91.8	Very high	84.9	Confident	14 Å²	14	61 Å²	61	5%	0.053	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.2	168.4	-60	-90.6	0	0	0	109.9	C575 G576 G577 I586 T587 C601 R666 I667 F669 F680	C575-W603 HydrophobicContact CB-CZ2 4.41Å; G576-W603 VanDerWaalsContact CA-NE1 3.34Å; G577-W603 WeakPolarHBondContact O-CA 3.35Å; I586-W603 HydrophobicContact CB-CD2 4.42Å; I586-W603 HydrophobicContact CB-CG 4.43Å; I586-W603 HydrophobicContact CD1-CD2 4.21Å; I586-W603 HydrophobicContact CD1-CE3 4.35Å; I586-W603 HydrophobicContact CD1-CG 4.32Å; I586-W603 HydrophobicContact CG2-CG 4.03Å; T587-W603 VanDerWaalsContact O-CZ2 3.3Å; T587-W603 WeakPolarHBondContact O-CZ2 3.28Å; C601-W603 HydrophobicContact CB-CE3 4.3Å; C601-W603 HydrophobicContact CB-CH2 3.34Å; C601-W603 HydrophobicContact CB-CZ2 3.98Å; C601-W603 HydrophobicContact CB-CZ3 3.52Å; W603-R666 WeakPolarHBondContact O-CA 3.46Å; W603-I667 HydrophobicContact CB-CB 4.35Å; W603-I667 HydrophobicContact CB-CD1 4.38Å; W603-I667 HydrophobicContact CE3-CB 4.26Å; W603-I667 HydrophobicContact CE3-CG2 4.09Å; W603-I667 PolarHBondContact N-O 3.24Å; W603-I667 PolarHBondContact O-N 2.89Å; W603-F669 HydrophobicContact CH2-CB 4.33Å; W603-F669 HydrophobicContact CZ3-CB 3.85Å; W603-F680 HydrophobicContact CH2-CE2 4.45Å; W603-F680 AromaticContact CH2-CZ 3.79Å; W603-F680 HydrophobicContact CH2-CZ 3.79Å; W603-F680 HydrophobicContact CZ3-CE2 4.46Å; W603-F680 AromaticContact CZ3-CZ 3.75Å; W603-F680 HydrophobicContact CZ3-CZ 3.75Å
604	Q	91.4	Very high	85.5	Confident	33 Å²	33	51.5 Å²	51.5	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.4	174.8	-77.7	-177.6	-26.1	0	0	108.4	G577 F578 I579 I602 L639 R666	G577-Q604 PolarHBondContact O-N 3Å; F578-Q604 CarbonylContact C-O 3.54Å; F578-Q604 WeakPolarHBondContact CA-O 3.44Å; F578-Q604 HydrophobicContact CD2-CB 3.73Å; F578-Q604 HydrophobicContact CE2-CB 4.28Å; I579-Q604 PolarHBondContact N-O 2.98Å; I602-Q604 HydrophobicContact CG2-CG 4.29Å; Q604-L639 HydrophobicContact CB-CD2 3.89Å; Q604-L639 HydrophobicContact CG-CD2 3.99Å; Q604-L639 PolarHBondContact NE2-O 3.28Å; Q604-R666 HydrophobicContact CG-CG 4.49Å
605	L	91.9	Very high	86	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.2	179	-48.9	-179.1	0	0	0	108.5	I579 I613 N664 M665 I667 F684	I579-L605 HydrophobicContact CB-CD2 3.69Å; I579-L605 HydrophobicContact CD1-CD2 3.8Å; I579-L605 HydrophobicContact CG1-CD2 4.17Å; I579-L605 HydrophobicContact CG2-CD2 4.29Å; I579-L605 WeakPolarHBondContact O-CA 3.49Å; L605-I613 HydrophobicContact CB-CD1 3.6Å; L605-I613 HydrophobicContact CB-CG2 4.29Å; L605-I613 HydrophobicContact CD1-CG2 3.76Å; L605-I613 WeakPolarHBondContact O-CD1 3.28Å; L605-N664 CarbonylContact O-C 3.52Å; L605-N664 WeakPolarHBondContact O-CA 3.48Å; L605-M665 HydrophobicContact CB-CB 4.36Å; L605-M665 HydrophobicContact CD1-SD 4.48Å; L605-M665 PolarHBondContact N-O 3.39Å; L605-M665 PolarHBondContact O-N 3.22Å; L605-I667 HydrophobicContact CD1-CD1 3.61Å; L605-I667 HydrophobicContact CG-CD1 3.77Å; L605-F684 HydrophobicContact CD1-CB 3.76Å; L605-F684 HydrophobicContact CD1-CD1 4.1Å; L605-F684 HydrophobicContact CD1-CD2 3.92Å; L605-F684 HydrophobicContact CD1-CG 3.64Å; L605-F684 HydrophobicContact CD2-CD1 4.23Å; L605-F684 HydrophobicContact CD2-CD2 4.4Å; L605-F684 HydrophobicContact CD2-CE1 4.15Å; L605-F684 HydrophobicContact CD2-CE2 4.34Å; L605-F684 HydrophobicContact CD2-CG 4.37Å; L605-F684 HydrophobicContact CD2-CZ 4.24Å
606	V	90.3	Very high	86.2	Confident	31 Å²	31	48.3 Å²	48.3	19%	0.188	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.2	175.5	179.5	0	0	0	0	110.3	F578 I579 T580 L639 N663 N664	F578-V606 HydrophobicContact CE1-CB 4.35Å; F578-V606 HydrophobicContact CE1-CG2 4.31Å; F578-V606 HydrophobicContact CE2-CB 4.37Å; F578-V606 HydrophobicContact CE2-CG2 3.49Å; F578-V606 VanDerWaalsContact CE2-CG2 3.49Å; F578-V606 HydrophobicContact CZ-CB 3.77Å; F578-V606 HydrophobicContact CZ-CG1 4.46Å; F578-V606 HydrophobicContact CZ-CG2 3.34Å; I579-V606 PolarHBondContact O-N 3.48Å; T580-V606 VanDerWaalsContact CA-O 3.32Å; T580-V606 WeakPolarHBondContact CA-O 3.18Å; V606-L639 HydrophobicContact CG2-CD1 3.92Å; V606-L639 HydrophobicContact CG2-CD2 3.77Å; V606-L639 HydrophobicContact CG2-CG 4.37Å; V606-N663 WeakPolarHBondContact CA-O 3.12Å; V606-N664 HydrophobicContact CG2-CB 4.07Å
607	A	85.8	Confident	86.7	Confident	4 Å²	4	46 Å²	46	3%	0.033	24%	0.239	C	C	.	.			trans	-102.6	167.6	172.3	0	0	0	0	0	110.6	L582 Y611 I613 N663	L582-A607 HydrophobicContact CD2-CB 4.33Å; A607-Y611 HydrophobicContact CB-CG 4.47Å; A607-I613 HydrophobicContact CB-CD1 4.18Å; A607-I613 HydrophobicContact CB-CG1 4.07Å; A607-N663 PolarHBondContact N-O 3.2Å; A607-N663 WeakPolarHBondContact O-CB 3.42Å; A607-N663 PolarHBondContact O-ND2 3.41Å
608	P	84	Confident	87	Confident	72 Å²	72	45.8 Å²	45.8	47%	0.468	24%	0.235	S	C	.	.			trans	-58.8	159.8	171.5	-23.9	35	0	0	0	113.1	L582 Q610 Y611 N663	L582-P608 VanDerWaalsContact CD2-CD 3.49Å; L582-P608 HydrophobicContact CD2-CG 4.25Å; P608-Q610 PolarHBondContact O-N 2.85Å; P608-Y611 HydrophobicContact CB-CD2 3.94Å; P608-Y611 HydrophobicContact CB-CE2 4.21Å; P608-Y611 HydrophobicContact CG-CD2 4.28Å; P608-Y611 HydrophobicContact CG-CE2 4.4Å; P608-Y611 PolarHBondContact O-N 3.05Å; P608-Y611 VanDerWaalsContact O-N 3.1Å; P608-N663 VanDerWaalsContact O-CB 3.27Å; P608-N663 WeakPolarHBondContact O-CB 3.22Å
609	T	70.8	Confident	87.5	Confident	124 Å²	124	43.3 Å²	43.3	76%	0.761	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	23.3	-166.6	47.3	0	0	0	0	117.4
610	Q	72.4	Confident	88	Confident	120 Å²	120	41.4 Å²	41.4	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139	1.7	176	-62.2	177.4	12.8	0	0	112.4	P608 K688	P608-Q610 PolarHBondContact O-N 2.85Å; Q610-K688 HydrophobicContact CB-CG 4.41Å
611	Y	81.8	Confident	88.2	Confident	72 Å²	72	40.6 Å²	40.6	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	153.5	-176.5	-70.6	-103.9	0	0	0	110.3	L582 A607 P608 N663 D687 K688	L582-Y611 HydrophobicContact CD2-CD1 4.5Å; A607-Y611 HydrophobicContact CB-CG 4.47Å; P608-Y611 HydrophobicContact CB-CD2 3.94Å; P608-Y611 HydrophobicContact CB-CE2 4.21Å; P608-Y611 HydrophobicContact CG-CD2 4.28Å; P608-Y611 HydrophobicContact CG-CE2 4.4Å; P608-Y611 PolarHBondContact O-N 3.05Å; P608-Y611 VanDerWaalsContact O-N 3.1Å; Y611-N663 WeakPolarHBondContact O-CA 3.2Å; Y611-N663 WeakPolarHBondContact O-CB 3.39Å; Y611-N663 PolarHBondContact O-N 3.44Å; Y611-D687 CarbonylContact C-O 3.46Å; Y611-D687 VanDerWaalsContact CA-O 3.25Å; Y611-D687 WeakPolarHBondContact CA-O 3.34Å; Y611-K688 HydrophobicContact CD1-CB 4.02Å; Y611-K688 HydrophobicContact CE1-CB 3.87Å; Y611-K688 HydrophobicContact CE2-CB 4.43Å; Y611-K688 HydrophobicContact CG-CB 4.36Å
612	R	85.9	Confident	88.4	Confident	88 Å²	88	40.8 Å²	40.8	33%	0.332	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.5	168.3	-62.2	-179.9	67.2	-171.7	-3.2	108.2	T659 S660 S686 D687	R612-T659 HydrophobicContact CB-CG2 4.03Å; R612-S660 VanDerWaalsContact CZ-O 3.28Å; R612-S660 PolarHBondContact NE-O 3.2Å; R612-S660 PolarHBondContact NH2-O 3.29Å; R612-S686 CarbonylContact O-C 3.56Å; R612-S686 VanDerWaalsContact O-CA 3.31Å; R612-S686 WeakPolarHBondContact O-CA 3.38Å; R612-D687 PolarHBondContact N-O 3.3Å; R612-D687 PolarHBondContact O-N 2.98Å
613	I	89	Confident	88.5	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.8	-174.6	-53.5	179.8	0	0	0	107.6	L605 A607 T659 S660 M665 F684	L605-I613 HydrophobicContact CB-CD1 3.6Å; L605-I613 HydrophobicContact CB-CG2 4.29Å; L605-I613 HydrophobicContact CD1-CG2 3.76Å; L605-I613 WeakPolarHBondContact O-CD1 3.28Å; A607-I613 HydrophobicContact CB-CD1 4.18Å; A607-I613 HydrophobicContact CB-CG1 4.07Å; I613-T659 CarbonylContact O-C 3.58Å; I613-T659 WeakPolarHBondContact O-CA 3.46Å; I613-S660 PolarHBondContact N-OG 2.89Å; I613-S660 PolarHBondContact O-N 2.81Å; I613-S660 PolarHBondContact O-OG 3.2Å; I613-M665 HydrophobicContact CB-CB 4.4Å; I613-M665 HydrophobicContact CB-CE 4.41Å; I613-M665 HydrophobicContact CD1-CB 4.39Å; I613-M665 HydrophobicContact CG2-CB 4.48Å; I613-M665 HydrophobicContact CG2-CE 4.46Å; I613-M665 HydrophobicContact CG2-SD 4.45Å; I613-M665 WeakPolarHBondContact O-CE 3.39Å; I613-F684 HydrophobicContact CG2-CB 4.41Å
614	T	90.1	Very high	88	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.7	173	-58.3	0	0	0	0	109.4	A657 I658 T659 F684 F685	T614-A657 HydrophobicContact CG2-CB 4.29Å; T614-I658 CarbonylContact C-O 3.53Å; T614-I658 WeakPolarHBondContact CA-O 3.48Å; T614-T659 WeakPolarHBondContact OG1-CG2 3.39Å; T614-T659 PolarHBondContact OG1-OG1 2.78Å; T614-F684 VanDerWaalsContact O-CA 3.23Å; T614-F684 WeakPolarHBondContact O-CA 3.5Å; T614-F685 HydrophobicContact CG2-CE1 4.28Å; T614-F685 HydrophobicContact CG2-CE2 3.99Å; T614-F685 HydrophobicContact CG2-CZ 3.61Å; T614-F685 PolarHBondContact N-O 2.72Å; T614-F685 PolarHBondContact O-N 3.29Å
615	L	93	Very high	87.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.5	177.1	-174.7	72.8	0	0	0	109.2	I586 F617 V635 I658 M665 I667 A682 F684	I586-L615 HydrophobicContact CD1-CD1 4.05Å; I586-L615 HydrophobicContact CG1-CD1 4.46Å; L615-F617 HydrophobicContact CD2-CE2 3.85Å; L615-F617 HydrophobicContact CD2-CZ 3.85Å; L615-F617 HydrophobicContact CG-CE2 4.36Å; L615-V635 HydrophobicContact CD2-CG1 4.32Å; L615-V635 HydrophobicContact CD2-CG2 4.03Å; L615-I658 PolarHBondContact N-O 2.85Å; L615-I658 PolarHBondContact O-N 2.87Å; L615-M665 HydrophobicContact CB-CE 4.36Å; L615-M665 HydrophobicContact CB-SD 3.9Å; L615-M665 HydrophobicContact CD2-SD 4.41Å; L615-I667 HydrophobicContact CD2-CG1 3.84Å; L615-A682 HydrophobicContact CD1-CB 3.77Å; L615-A682 HydrophobicContact CG-CB 4.27Å; L615-F684 HydrophobicContact CD1-CB 4Å
616	L	93.2	Very high	86.5	Confident	58 Å²	58	51.4 Å²	51.4	30%	0.304	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.9	178.8	-178	68.8	0	0	0	109.3	A657 A682 Q683	L616-A657 HydrophobicContact CD1-CB 4.25Å; L616-A682 CarbonylContact O-C 3.49Å; L616-A682 WeakPolarHBondContact O-CA 3.4Å; L616-Q683 PolarHBondContact N-O 3.28Å; L616-Q683 PolarHBondContact O-N 3.49Å
617	F	94.1	Very high	86	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.6	174.5	-70.3	-87	0	0	0	110	L615 F620 V633 K654 P655 I658 F680 A682	L615-F617 HydrophobicContact CD2-CE2 3.85Å; L615-F617 HydrophobicContact CD2-CZ 3.85Å; L615-F617 HydrophobicContact CG-CE2 4.36Å; F617-F620 HydrophobicContact CB-CB 4.45Å; F617-F620 AromaticContact CD1-CD2 3.51Å; F617-F620 HydrophobicContact CD1-CD2 3.51Å; F617-F620 HydrophobicContact CD1-CE2 4.19Å; F617-F620 HydrophobicContact CD1-CG 4.45Å; F617-F620 AromaticContact CE1-CD2 3.65Å; F617-F620 HydrophobicContact CE1-CD2 3.65Å; F617-F620 AromaticContact CE1-CE2 3.84Å; F617-F620 HydrophobicContact CE1-CE2 3.84Å; F617-F620 HydrophobicContact CG-CD2 4.09Å; F617-F620 HydrophobicContact CZ-CD2 4.34Å; F617-F620 HydrophobicContact CZ-CE2 4.24Å; F617-V633 HydrophobicContact CE1-CG1 4.38Å; F617-V633 HydrophobicContact CZ-CG1 3.98Å; F617-K654 HydrophobicContact CB-CD 4.44Å; F617-K654 HydrophobicContact CB-CG 3.99Å; F617-K654 VanDerWaalsContact O-CD 3.23Å; F617-K654 WeakPolarHBondContact O-CD 3.4Å; F617-K654 WeakPolarHBondContact O-CE 3.41Å; F617-K654 PolarHBondContact O-NZ 2.89Å; F617-P655 HydrophobicContact CD2-CB 3.95Å; F617-P655 HydrophobicContact CD2-CG 3.92Å; F617-P655 HydrophobicContact CE2-CB 4.15Å; F617-P655 HydrophobicContact CE2-CG 4.02Å; F617-I658 HydrophobicContact CE2-CD1 4.32Å; F617-F680 HydrophobicContact CD1-CB 4.08Å; F617-F680 HydrophobicContact CD1-CD2 4.13Å; F617-F680 HydrophobicContact CD1-CG 4.33Å; F617-F680 HydrophobicContact CE1-CB 4.25Å; F617-F680 AromaticContact CE1-CD2 3.74Å; F617-F680 HydrophobicContact CE1-CD2 3.74Å; F617-F680 HydrophobicContact CE1-CE2 4.31Å; F617-F680 HydrophobicContact CE1-CG 4.04Å; F617-A682 HydrophobicContact CD1-CB 3.68Å; F617-A682 HydrophobicContact CE1-CB 3.9Å; F617-A682 HydrophobicContact CG-CB 4.18Å
618	D	90.9	Very high	86	Confident	54 Å²	54	55.6 Å²	55.6	29%	0.289	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-45.4	169.9	-69.1	-20.7	0	0	0	109.8	K681 Q683	D618-K681 HydrophobicContact CB-CB 4.47Å; D618-K681 HydrophobicContact CB-CG 4.37Å; D618-K681 WeakPolarHBondContact CB-O 3.33Å; D618-K681 PolarHBondContact N-O 3.42Å; D618-K681 WeakPolarHBondContact OD2-CE 3.05Å; D618-K681 IonicContact OD2-NZ 3.51Å; D618-Q683 PolarHBondContact OD1-NE2 3.21Å; D618-Q683 WeakPolarHBondContact OD2-CG 3.49Å; D618-Q683 PolarHBondContact OD2-NE2 2.89Å
619	V	91.4	Very high	86	Confident	60 Å²	60	59.9 Å²	59.9	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.2	177.8	-174.9	0	0	0	0	108.5	W591 F680 K681	W591-V619 HydrophobicContact CH2-CB 3.6Å; W591-V619 HydrophobicContact CH2-CG1 3.6Å; W591-V619 HydrophobicContact CH2-CG2 3.93Å; W591-V619 HydrophobicContact CZ2-CB 4.25Å; W591-V619 HydrophobicContact CZ2-CG2 4.21Å; W591-V619 HydrophobicContact CZ3-CB 4.32Å; W591-V619 HydrophobicContact CZ3-CG1 4.14Å; V619-F680 WeakPolarHBondContact O-CA 2.86Å; V619-F680 VanDerWaalsContact O-CB 3.26Å; V619-F680 WeakPolarHBondContact O-CB 3.49Å; V619-K681 PolarHBondContact N-O 3.34Å; V619-K681 PolarHBondContact O-N 2.9Å
620	F	94.5	Very high	86.8	Confident	9 Å²	9	58.7 Å²	58.7	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	114.5	178.8	-167.3	-93.6	0	0	0	110.4	F617 T622 V633 F649 E653 P655 F680	F617-F620 HydrophobicContact CB-CB 4.45Å; F617-F620 AromaticContact CD1-CD2 3.51Å; F617-F620 HydrophobicContact CD1-CD2 3.51Å; F617-F620 HydrophobicContact CD1-CE2 4.19Å; F617-F620 HydrophobicContact CD1-CG 4.45Å; F617-F620 AromaticContact CE1-CD2 3.65Å; F617-F620 HydrophobicContact CE1-CD2 3.65Å; F617-F620 AromaticContact CE1-CE2 3.84Å; F617-F620 HydrophobicContact CE1-CE2 3.84Å; F617-F620 HydrophobicContact CG-CD2 4.09Å; F617-F620 HydrophobicContact CZ-CD2 4.34Å; F617-F620 HydrophobicContact CZ-CE2 4.24Å; F620-T622 WeakPolarHBondContact CE1-OG1 3.46Å; F620-T622 HydrophobicContact CZ-CG2 4.29Å; F620-V633 HydrophobicContact CE2-CB 3.89Å; F620-V633 HydrophobicContact CE2-CG2 3.62Å; F620-V633 HydrophobicContact CZ-CB 4.19Å; F620-V633 HydrophobicContact CZ-CG2 4.07Å; F620-F649 HydrophobicContact CE1-CB 4.21Å; F620-F649 HydrophobicContact CE2-CB 4.37Å; F620-F649 HydrophobicContact CZ-CB 3.68Å; F620-E653 WeakPolarHBondContact CD1-O 2.97Å; F620-P655 HydrophobicContact CD2-CG 4.42Å; F620-P655 HydrophobicContact CE2-CG 4.4Å; F620-P655 HydrophobicContact CG-CG 4.5Å; F620-P655 HydrophobicContact CZ-CG 4.48Å; F620-F680 HydrophobicContact CD2-CB 3.79Å; F620-F680 HydrophobicContact CD2-CG 4.42Å; F620-F680 HydrophobicContact CE2-CB 4.44Å
621	E	93	Very high	87.8	Confident	61 Å²	61	53 Å²	53	29%	0.285	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	105	176.8	-164.7	-172.4	165.4	0	0	109.1	G651 A652 K677 K678 G679	E621-G651 WeakPolarHBondContact CA-O 3.45Å; E621-A652 HydrophobicContact CG-CB 4.43Å; E621-K677 HydrophobicContact CG-CB 4.08Å; E621-K677 HydrophobicContact CG-CG 4.49Å; E621-K677 VanDerWaalsContact O-CB 3.26Å; E621-K677 WeakPolarHBondContact O-CB 3.32Å; E621-K678 HydrophobicContact CB-CB 4.47Å; E621-K678 WeakPolarHBondContact OE2-CD 3.38Å; E621-G679 PolarHBondContact N-O 2.91Å; E621-G679 CarbonylContact O-C 3.58Å; E621-G679 WeakPolarHBondContact O-CA 3.43Å; E621-G679 PolarHBondContact O-N 2.75Å
622	T	91.7	Very high	88.4	Confident	4 Å²	4	51 Å²	51	3%	0.025	26%	0.26	C	S	.	.			trans	-133.8	154.4	-178.4	51.1	0	0	0	0	109.9	Y595 F620 G624 C650 G651 F669	Y595-T622 HydrophobicContact CE1-CG2 4.23Å; F620-T622 WeakPolarHBondContact CE1-OG1 3.46Å; F620-T622 HydrophobicContact CZ-CG2 4.29Å; T622-G624 PolarHBondContact O-N 3.4Å; T622-C650 VanDerWaalsContact OG1-CA 3.24Å; T622-C650 WeakPolarHBondContact OG1-CA 3.4Å; T622-G651 PolarHBondContact N-O 3.38Å; T622-G651 CarbonylContact O-C 3.51Å; T622-G651 WeakPolarHBondContact O-CA 3.34Å; T622-G651 PolarHBondContact O-N 3.3Å; T622-G651 PolarHBondContact OG1-N 3.46Å; T622-G651 PolarHBondContact OG1-O 2.77Å; T622-F669 HydrophobicContact CG2-CE2 4.03Å
623	E	92.3	Very high	88.9	Confident	32 Å²	32	46.8 Å²	46.8	15%	0.15	24%	0.244	C	C	.	.	S	Bend	trans	-65.6	131.2	173.5	-179.2	-179.8	-157.1	0	0	110.8	Y595 Y630 D631 V675	Y595-E623 PolarHBondContact OH-N 2.9Å; Y595-E623 VanDerWaalsContact OH-N 3.13Å; E623-Y630 HydrophobicContact CG-CD2 4.49Å; E623-Y630 HydrophobicContact CG-CG 4.35Å; E623-D631 HydrophobicContact CB-CB 4.04Å; E623-D631 CarbonylContact O-C 3.56Å; E623-D631 WeakPolarHBondContact O-CB 3.41Å; E623-D631 PolarHBondContact O-N 3.35Å; E623-V675 WeakPolarHBondContact CB-O 3.23Å; E623-V675 HydrophobicContact CG-CB 4.32Å; E623-V675 WeakPolarHBondContact OE2-CB 3.42Å; E623-V675 PolarHBondContact OE2-N 2.03Å
624	G	81.5	Confident	89.2	Confident	31 Å²	31	47.7 Å²	47.7	32%	0.32	25%	0.248	S	C	.	.			trans	169.4	165.6	174.9	0	0	0	0	0	115	T622	T622-G624 PolarHBondContact O-N 3.4Å
625	N	77.7	Confident	89.4	Confident	80 Å²	80	47.3 Å²	47.3	43%	0.428	25%	0.246	S	C	.	.			trans	-122.3	-175.1	170.5	64.2	7.2	0	0	0	109.2	V627 C628 C650	N625-V627 PolarHBondContact O-N 2.84Å; N625-V627 PolarHBondContact OD1-N 3.14Å; N625-C628 PolarHBondContact O-N 2.93Å; N625-C650 PolarHBondContact O-SG 3.43Å
626	D	73	Confident	89.5	Confident	171 Å²	171	49.2 Å²	49.2	91%	0.914	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-17.1	-174.3	-52.6	-25.2	0	0	0	115.8
627	V	79.8	Confident	89.3	Confident	115 Å²	115	46.8 Å²	46.8	70%	0.697	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-5.4	-179.3	-166.5	0	0	0	0	112.5	N625 K629	N625-V627 PolarHBondContact O-N 2.84Å; N625-V627 PolarHBondContact OD1-N 3.14Å; V627-K629 VanDerWaalsContact C-N 3.32Å; V627-K629 PolarHBondContact O-N 2.92Å
628	C	86.3	Confident	89	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.061	25%	0.245	C	C	.	.			trans	48.3	51.1	179.7	-58.6	0	0	0	0	113.4	N625 K648 F649 C650	N625-C628 PolarHBondContact O-N 2.93Å; C628-K648 HydrophobicContact CB-CD 4.1Å; C628-K648 HydrophobicContact CB-CG 4.06Å; C628-K648 WeakPolarHBondContact O-CE 2.86Å; C628-K648 PolarHBondContact O-NZ 3.28Å; C628-F649 VanDerWaalsContact SG-C 3.59Å; C628-C650 WeakPolarHBondContact CA-SG 3.38Å; C628-C650 HydrophobicContact CB-CB 3.57Å; C628-C650 WeakPolarHBondContact CB-SG 3.27Å; C628-C650 WeakPolarHBondContact SG-CB 3.38Å; C628-C650 PolarHBondContact SG-N 3.44Å; C628-C650 CovalentContact SG-SG 2.03Å; C628-C650 PolarHBondContact SG-SG 3.35Å
629	K	83.2	Confident	88.7	Confident	161 Å²	161	47.5 Å²	47.5	70%	0.7	25%	0.247	S	C	*	.			trans	-77.2	-31.5	-176.9	-173.4	179.7	175.4	-173.9	0	113.4	V627	V627-K629 VanDerWaalsContact C-N 3.32Å; V627-K629 PolarHBondContact O-N 2.92Å
630	Y	88.2	Confident	88.2	Confident	99 Å²	99	47.7 Å²	47.7	39%	0.388	25%	0.25	S	S	.	.	S	Bend	trans	-87.5	-114	-178.1	-52.6	-73.4	0	0	0	109.4	E623 Y632 D672	E623-Y630 HydrophobicContact CG-CD2 4.49Å; E623-Y630 HydrophobicContact CG-CG 4.35Å; Y630-Y632 WeakPolarHBondContact O-CD1 3.48Å; Y630-D672 WeakPolarHBondContact CD1-OD2 3.35Å
631	D	93	Very high	87.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-80.7	143	177.7	-57.4	-15.3	0	0	0	111.5	Y595 E623 C650 K670 S671 D672	Y595-D631 WeakPolarHBondContact CE2-OD2 3.1Å; Y595-D631 PolarHBondContact OH-OD2 3.31Å; E623-D631 HydrophobicContact CB-CB 4.04Å; E623-D631 CarbonylContact O-C 3.56Å; E623-D631 WeakPolarHBondContact O-CB 3.41Å; E623-D631 PolarHBondContact O-N 3.35Å; D631-C650 WeakPolarHBondContact O-CB 3.49Å; D631-K670 VanDerWaalsContact CA-O 3.29Å; D631-K670 WeakPolarHBondContact CA-O 3Å; D631-S671 WeakPolarHBondContact OD1-CA 3.42Å; D631-D672 PolarHBondContact OD1-N 3.42Å
632	Y	94.7	Very high	86.8	Confident	30 Å²	30	53.7 Å²	53.7	12%	0.118	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	156.4	-179.2	65.9	-94.9	0	0	0	113.6	Y630 E634 K648 F649 F669 K670	Y630-Y632 WeakPolarHBondContact O-CD1 3.48Å; Y632-E634 HydrophobicContact CD2-CB 3.98Å; Y632-E634 HydrophobicContact CE2-CB 3.9Å; Y632-K648 HydrophobicContact CD2-CD 4.09Å; Y632-K648 HydrophobicContact CD2-CG 3.72Å; Y632-K648 HydrophobicContact CE2-CD 4.41Å; Y632-K648 VanDerWaalsContact CE2-CE 3.43Å; Y632-K648 HydrophobicContact CE2-CG 4.37Å; Y632-K648 HydrophobicContact CG-CD 4.16Å; Y632-K648 HydrophobicContact CG-CG 3.96Å; Y632-F649 CarbonylContact C-O 3.52Å; Y632-F649 VanDerWaalsContact CA-O 3.24Å; Y632-F649 WeakPolarHBondContact CA-O 3.27Å; Y632-F649 WeakPolarHBondContact CB-O 3.22Å; Y632-F669 WeakPolarHBondContact O-CA 3.14Å; Y632-F669 WeakPolarHBondContact O-CD2 3.37Å; Y632-K670 HydrophobicContact CD1-CB 4.31Å; Y632-K670 HydrophobicContact CE1-CB 3.89Å; Y632-K670 HydrophobicContact CE1-CD 4.31Å; Y632-K670 HydrophobicContact CE1-CG 4.5Å; Y632-K670 HydrophobicContact CE2-CB 4.45Å; Y632-K670 PolarHBondContact N-O 3.17Å; Y632-K670 PolarHBondContact O-N 3.38Å; Y632-K670 WeakPolarHBondContact OH-CD 3.44Å; Y632-K670 PolarHBondContact OH-NZ 2.75Å
633	V	95.7	Very high	86.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.7	165.7	-177.3	0	0	0	0	108.9	F617 F620 V635 F649 I667 E668 F669 F680	F617-V633 HydrophobicContact CE1-CG1 4.38Å; F617-V633 HydrophobicContact CZ-CG1 3.98Å; F620-V633 HydrophobicContact CE2-CB 3.89Å; F620-V633 HydrophobicContact CE2-CG2 3.62Å; F620-V633 HydrophobicContact CZ-CB 4.19Å; F620-V633 HydrophobicContact CZ-CG2 4.07Å; V633-V635 HydrophobicContact CG1-CG2 4.26Å; V633-F649 PolarHBondContact N-O 3.37Å; V633-F649 WeakPolarHBondContact O-CD2 3.5Å; V633-F649 PolarHBondContact O-N 3.28Å; V633-I667 HydrophobicContact CG1-CG2 3.76Å; V633-E668 CarbonylContact C-O 3.56Å; V633-E668 WeakPolarHBondContact CA-O 3.43Å; V633-F669 HydrophobicContact CG2-CB 4.3Å; V633-F669 HydrophobicContact CG2-CD2 3.69Å; V633-F669 HydrophobicContact CG2-CG 4.39Å; V633-F680 HydrophobicContact CG2-CD1 3.6Å; V633-F680 HydrophobicContact CG2-CE1 3.39Å; V633-F680 HydrophobicContact CG2-CG 4.43Å; V633-F680 HydrophobicContact CG2-CZ 4.06Å
634	E	95.1	Very high	86.3	Confident	20 Å²	20	60.6 Å²	60.6	9%	0.093	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.2	178.7	-169.7	-177.6	94.6	0	0	110.1	Y632 R636 L645 I667 E668	Y632-E634 HydrophobicContact CD2-CB 3.98Å; Y632-E634 HydrophobicContact CE2-CB 3.9Å; E634-R636 IonicContact OE1-CZ 3.73Å; E634-R636 IonicContact OE1-NE 2.89Å; E634-R636 PolarHBondContact OE1-NE 2.88Å; E634-R636 IonicContact OE1-NH2 2.79Å; E634-R636 PolarHBondContact OE1-NH2 2.83Å; E634-R636 IonicContact OE2-NH2 3.28Å; E634-R636 PolarHBondContact OE2-NH2 3.02Å; E634-L645 HydrophobicContact CG-CD1 3.38Å; E634-I667 CarbonylContact O-C 3.56Å; E634-I667 WeakPolarHBondContact O-CA 3.5Å; E634-E668 HydrophobicContact CB-CB 4.41Å; E634-E668 PolarHBondContact N-O 2.81Å; E634-E668 PolarHBondContact O-N 3.33Å
635	V	96.3	Very high	86.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.5	-176.5	-173.2	0	0	0	0	110.8	L615 V633 H646 G647 F649 I658 M665 I667	L615-V635 HydrophobicContact CD2-CG1 4.32Å; L615-V635 HydrophobicContact CD2-CG2 4.03Å; V633-V635 HydrophobicContact CG1-CG2 4.26Å; V635-H646 WeakPolarHBondContact O-CB 2.87Å; V635-H646 PolarHBondContact O-N 2.64Å; V635-G647 PolarHBondContact N-O 3.34Å; V635-G647 VanDerWaalsContact N-O 3.09Å; V635-F649 HydrophobicContact CB-CE2 4.35Å; V635-F649 HydrophobicContact CG2-CD2 4.34Å; V635-F649 HydrophobicContact CG2-CE2 4.1Å; V635-I658 HydrophobicContact CB-CD1 4.02Å; V635-I658 HydrophobicContact CG1-CD1 4.21Å; V635-I658 HydrophobicContact CG1-CG2 3.85Å; V635-I658 HydrophobicContact CG2-CD1 3.87Å; V635-M665 HydrophobicContact CG1-CE 4.42Å; V635-M665 HydrophobicContact CG1-CG 4.03Å; V635-M665 HydrophobicContact CG1-SD 3.8Å; V635-I667 HydrophobicContact CG1-CG1 4.38Å; V635-I667 HydrophobicContact CG2-CG1 4.47Å; V635-I667 HydrophobicContact CG2-CG2 4.38Å
636	R	94.5	Very high	87.4	Confident	40 Å²	40	62.2 Å²	62.2	15%	0.151	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148	-176.4	-55	-172.6	174.2	-104.8	-2	113.8	E634 G638 A641 S643 R644 L645 M665 R666	E634-R636 IonicContact OE1-CZ 3.73Å; E634-R636 IonicContact OE1-NE 2.89Å; E634-R636 PolarHBondContact OE1-NE 2.88Å; E634-R636 IonicContact OE1-NH2 2.79Å; E634-R636 PolarHBondContact OE1-NH2 2.83Å; E634-R636 IonicContact OE2-NH2 3.28Å; E634-R636 PolarHBondContact OE2-NH2 3.02Å; R636-G638 VanDerWaalsContact C-N 3.32Å; R636-G638 PolarHBondContact O-N 3.01Å; R636-A641 WeakPolarHBondContact CD-O 3.44Å; R636-A641 PolarHBondContact NE-O 2.89Å; R636-A641 PolarHBondContact NH1-O 3.39Å; R636-S643 WeakPolarHBondContact CB-OG 3.39Å; R636-S643 PolarHBondContact NH1-O 2.73Å; R636-R644 VanDerWaalsContact CA-O 3.31Å; R636-R644 WeakPolarHBondContact CA-O 3.31Å; R636-R644 WeakPolarHBondContact CB-O 3.19Å; R636-L645 HydrophobicContact CG-CD1 4Å; R636-M665 WeakPolarHBondContact O-CA 3.31Å; R636-M665 WeakPolarHBondContact O-CG 3.28Å; R636-R666 PolarHBondContact N-O 2.78Å; R636-R666 PolarHBondContact O-N 3.1Å
637	S	88.7	Confident	88.2	Confident	6 Å²	6	54.7 Å²	54.7	4%	0.042	28%	0.281	C	S	.	.	S	Bend	trans	-87.5	59.6	174.8	-73	0	0	0	0	112.8	R644 H646 S660 Q661	S637-R644 PolarHBondContact N-O 2.84Å; S637-H646 PolarHBondContact OG-CD2 3.07Å; S637-H646 PolarHBondContact OG-CE1 3.01Å; S637-H646 PolarHBondContact OG-NE2 2.92Å; S637-S660 WeakPolarHBondContact OG-CA 3.16Å; S637-Q661 PolarHBondContact OG-N 3.27Å
638	G	87	Confident	88.9	Confident	8 Å²	8	52.9 Å²	52.9	8%	0.082	26%	0.264	C	S	.	.	S	Bend	trans	174.4	168.1	178.3	0	0	0	0	0	111.6	R636 S643 N664 R666	R636-G638 VanDerWaalsContact C-N 3.32Å; R636-G638 PolarHBondContact O-N 3.01Å; G638-S643 VanDerWaalsContact CA-CB 3.49Å; G638-S643 WeakPolarHBondContact CA-OG 3.08Å; G638-S643 PolarHBondContact N-OG 3.12Å; G638-S643 PolarHBondContact O-OG 3.11Å; G638-N664 WeakPolarHBondContact CA-OD1 3.03Å; G638-R666 WeakPolarHBondContact O-CB 3.32Å; G638-R666 PolarHBondContact O-N 2.83Å
639	L	85.4	Confident	89.3	Confident	62 Å²	62	54.8 Å²	54.8	33%	0.325	27%	0.271	S	S	.	.	S	Bend	trans	-87.5	-16.8	-179.1	-62.4	178.7	0	0	0	113.7	F578 Q604 V606 N664	F578-L639 HydrophobicContact CE2-CD1 4.45Å; Q604-L639 HydrophobicContact CB-CD2 3.89Å; Q604-L639 HydrophobicContact CG-CD2 3.99Å; Q604-L639 PolarHBondContact NE2-O 3.28Å; V606-L639 HydrophobicContact CG2-CD1 3.92Å; V606-L639 HydrophobicContact CG2-CD2 3.77Å; V606-L639 HydrophobicContact CG2-CG 4.37Å; L639-N664 HydrophobicContact CD2-CB 3.94Å; L639-N664 HydrophobicContact CG-CB 3.97Å
640	S	81.6	Confident	89.8	Confident	63 Å²	63	48 Å²	48	44%	0.441	24%	0.243	S	C	.	.	S	Bend	trans	-91.1	156.3	177.3	-172.9	0	0	0	0	112	D642 S643	S640-D642 PolarHBondContact O-N 3.17Å; S640-D642 PolarHBondContact OG-N 2.95Å; S640-D642 PolarHBondContact OG-OD2 3.41Å; S640-S643 WeakPolarHBondContact O-CB 3.32Å; S640-S643 PolarHBondContact O-N 3.11Å; S640-S643 PolarHBondContact O-OG 2.63Å
641	A	76	Confident	89.9	Confident	49 Å²	49	44 Å²	44	41%	0.405	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.2	170.5	0	0	0	0	0	112.5	R636 S643	R636-A641 WeakPolarHBondContact CD-O 3.44Å; R636-A641 PolarHBondContact NE-O 2.89Å; R636-A641 PolarHBondContact NH1-O 3.39Å; A641-S643 VanDerWaalsContact C-N 3.25Å; A641-S643 PolarHBondContact O-N 2.65Å
642	D	80.3	Confident	89.7	Confident	147 Å²	147	47.7 Å²	47.7	79%	0.786	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-0.3	179.9	-48.9	-53.4	0	0	0	113.5	S640	S640-D642 PolarHBondContact O-N 3.17Å; S640-D642 PolarHBondContact OG-N 2.95Å; S640-D642 PolarHBondContact OG-OD2 3.41Å
643	S	87	Confident	89.5	Confident	20 Å²	20	54.3 Å²	54.3	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-70.7	159.3	179.3	64.2	0	0	0	0	112.1	R636 G638 S640 A641 L645	R636-S643 WeakPolarHBondContact CB-OG 3.39Å; R636-S643 PolarHBondContact NH1-O 2.73Å; G638-S643 VanDerWaalsContact CA-CB 3.49Å; G638-S643 WeakPolarHBondContact CA-OG 3.08Å; G638-S643 PolarHBondContact N-OG 3.12Å; G638-S643 PolarHBondContact O-OG 3.11Å; S640-S643 WeakPolarHBondContact O-CB 3.32Å; S640-S643 PolarHBondContact O-N 3.11Å; S640-S643 PolarHBondContact O-OG 2.63Å; A641-S643 VanDerWaalsContact C-N 3.25Å; A641-S643 PolarHBondContact O-N 2.65Å; S643-L645 PolarHBondContact O-N 2.89Å; S643-L645 VanDerWaalsContact O-N 3.16Å
644	R	87.4	Confident	89.3	Confident	161 Å²	161	59.2 Å²	59.2	61%	0.608	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-54	122.3	-175.9	-177.3	-179.4	176.4	148.2	-9.5	111.3	R636 S637	R636-R644 VanDerWaalsContact CA-O 3.31Å; R636-R644 WeakPolarHBondContact CA-O 3.31Å; R636-R644 WeakPolarHBondContact CB-O 3.19Å; S637-R644 PolarHBondContact N-O 2.84Å
645	L	91.3	Very high	89.1	Confident	77 Å²	77	58.7 Å²	58.7	40%	0.403	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131	176.2	-177.4	62.8	0	0	0	110.6	E634 R636 S643 G647	E634-L645 HydrophobicContact CG-CD1 3.38Å; R636-L645 HydrophobicContact CG-CD1 4Å; S643-L645 PolarHBondContact O-N 2.89Å; S643-L645 VanDerWaalsContact O-N 3.16Å; L645-G647 WeakPolarHBondContact CD1-O 3.34Å
646	H	90.4	Very high	88.9	Confident	68 Å²	68	67.1 Å²	67.1	32%	0.315	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-43.1	167.7	-75.7	-60.2	0	0	0	111.2	V635 S637 I658 T659	V635-H646 WeakPolarHBondContact O-CB 2.87Å; V635-H646 PolarHBondContact O-N 2.64Å; S637-H646 PolarHBondContact OG-CD2 3.07Å; S637-H646 PolarHBondContact OG-CE1 3.01Å; S637-H646 PolarHBondContact OG-NE2 2.92Å; H646-I658 HydrophobicContact CB-CG2 3.74Å; H646-I658 WeakPolarHBondContact CD2-CG2 3.16Å; H646-T659 PolarHBondContact CE1-O 3.38Å; H646-T659 PolarHBondContact NE2-O 3.3Å
647	G	90.4	Very high	88.6	Confident	14 Å²	14	68.1 Å²	68.1	14%	0.144	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	164.7	177.7	0	0	0	0	0	112.4	V635 L645 F649	V635-G647 PolarHBondContact N-O 3.34Å; V635-G647 VanDerWaalsContact N-O 3.09Å; L645-G647 WeakPolarHBondContact CD1-O 3.34Å; G647-F649 WeakPolarHBondContact O-CE2 3.34Å
648	K	93.9	Very high	88.8	Confident	77 Å²	77	68.4 Å²	68.4	34%	0.335	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.4	171.5	-170.2	-176	-172.1	-165.9	0	106.6	C628 Y632	C628-K648 HydrophobicContact CB-CD 4.1Å; C628-K648 HydrophobicContact CB-CG 4.06Å; C628-K648 WeakPolarHBondContact O-CE 2.86Å; C628-K648 PolarHBondContact O-NZ 3.28Å; Y632-K648 HydrophobicContact CD2-CD 4.09Å; Y632-K648 HydrophobicContact CD2-CG 3.72Å; Y632-K648 HydrophobicContact CE2-CD 4.41Å; Y632-K648 VanDerWaalsContact CE2-CE 3.43Å; Y632-K648 HydrophobicContact CE2-CG 4.37Å; Y632-K648 HydrophobicContact CG-CD 4.16Å; Y632-K648 HydrophobicContact CG-CG 3.96Å
649	F	94.9	Very high	88.9	Confident	48 Å²	48	70.3 Å²	70.3	21%	0.211	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.3	-168.6	-52.8	-80	0	0	0	110.2	F620 C628 Y632 V633 V635 G647 P655 I658	F620-F649 HydrophobicContact CE1-CB 4.21Å; F620-F649 HydrophobicContact CE2-CB 4.37Å; F620-F649 HydrophobicContact CZ-CB 3.68Å; C628-F649 VanDerWaalsContact SG-C 3.59Å; Y632-F649 CarbonylContact C-O 3.52Å; Y632-F649 VanDerWaalsContact CA-O 3.24Å; Y632-F649 WeakPolarHBondContact CA-O 3.27Å; Y632-F649 WeakPolarHBondContact CB-O 3.22Å; V633-F649 PolarHBondContact N-O 3.37Å; V633-F649 WeakPolarHBondContact O-CD2 3.5Å; V633-F649 PolarHBondContact O-N 3.28Å; V635-F649 HydrophobicContact CB-CE2 4.35Å; V635-F649 HydrophobicContact CG2-CD2 4.34Å; V635-F649 HydrophobicContact CG2-CE2 4.1Å; G647-F649 WeakPolarHBondContact O-CE2 3.34Å; F649-P655 HydrophobicContact CB-CG 3.73Å; F649-P655 HydrophobicContact CD1-CB 3.67Å; F649-P655 HydrophobicContact CD1-CG 3.52Å; F649-P655 HydrophobicContact CD2-CG 4.22Å; F649-P655 HydrophobicContact CE1-CB 3.79Å; F649-P655 HydrophobicContact CE1-CG 4.17Å; F649-P655 HydrophobicContact CG-CB 4.05Å; F649-P655 HydrophobicContact CG-CG 3.54Å; F649-P655 HydrophobicContact CZ-CB 4.28Å; F649-I658 HydrophobicContact CD2-CD1 4.29Å; F649-I658 HydrophobicContact CE2-CD1 3.35Å; F649-I658 HydrophobicContact CZ-CD1 3.5Å; F649-I658 HydrophobicContact CZ-CG1 4.4Å
650	C	93.3	Very high	89.1	Confident	18 Å²	18	67.3 Å²	67.3	12%	0.122	37%	0.367	C	S	.	.			trans	-157.5	175.7	177.6	62.9	0	0	0	0	110	T622 N625 C628 D631	T622-C650 VanDerWaalsContact OG1-CA 3.24Å; T622-C650 WeakPolarHBondContact OG1-CA 3.4Å; N625-C650 PolarHBondContact O-SG 3.43Å; C628-C650 WeakPolarHBondContact CA-SG 3.38Å; C628-C650 HydrophobicContact CB-CB 3.57Å; C628-C650 WeakPolarHBondContact CB-SG 3.27Å; C628-C650 WeakPolarHBondContact SG-CB 3.38Å; C628-C650 PolarHBondContact SG-N 3.44Å; C628-C650 CovalentContact SG-SG 2.03Å; C628-C650 PolarHBondContact SG-SG 3.35Å; D631-C650 WeakPolarHBondContact O-CB 3.49Å
651	G	91.1	Very high	89.2	Confident	16 Å²	16	67.4 Å²	67.4	17%	0.165	36%	0.36	C	S	.	.	S	Bend	trans	81.9	-158.3	-177.4	0	0	0	0	0	112.8	E621 T622	E621-G651 WeakPolarHBondContact CA-O 3.45Å; T622-G651 PolarHBondContact N-O 3.38Å; T622-G651 CarbonylContact O-C 3.51Å; T622-G651 WeakPolarHBondContact O-CA 3.34Å; T622-G651 PolarHBondContact O-N 3.3Å; T622-G651 PolarHBondContact OG1-N 3.46Å; T622-G651 PolarHBondContact OG1-O 2.77Å
652	A	89.6	Confident	89.6	Confident	78 Å²	78	72.2 Å²	72.2	65%	0.645	37%	0.369	S	S	*	.	S	Bend	trans	-105.8	-3.9	-178.4	0	0	0	0	0	113.7	E621 K654	E621-A652 HydrophobicContact CG-CB 4.43Å; A652-K654 PolarHBondContact O-N 2.92Å
653	E	90.1	Very high	89.9	Confident	168 Å²	168	66.9 Å²	66.9	79%	0.785	34%	0.34	S	S	*	.	S	Bend	trans	-76.1	125.7	175.2	-169.4	178.3	178.2	0	0	109.6	F620 P655	F620-E653 WeakPolarHBondContact CD1-O 2.97Å; E653-P655 WeakPolarHBondContact O-CD 3.44Å
654	K	90.2	Very high	90.1	Very high	103 Å²	103	67.5 Å²	67.5	45%	0.448	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-77.2	124.7	-178.2	175.6	176.8	140.2	165.7	0	109.9	F617 A652	F617-K654 HydrophobicContact CB-CD 4.44Å; F617-K654 HydrophobicContact CB-CG 3.99Å; F617-K654 VanDerWaalsContact O-CD 3.23Å; F617-K654 WeakPolarHBondContact O-CD 3.4Å; F617-K654 WeakPolarHBondContact O-CE 3.41Å; F617-K654 PolarHBondContact O-NZ 2.89Å; A652-K654 PolarHBondContact O-N 2.92Å
655	P	92.8	Very high	90.4	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.065	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-61	146.7	175.5	-24.2	35	0	0	0	112.8	F617 F620 F649 E653	F617-P655 HydrophobicContact CD2-CB 3.95Å; F617-P655 HydrophobicContact CD2-CG 3.92Å; F617-P655 HydrophobicContact CE2-CB 4.15Å; F617-P655 HydrophobicContact CE2-CG 4.02Å; F620-P655 HydrophobicContact CD2-CG 4.42Å; F620-P655 HydrophobicContact CE2-CG 4.4Å; F620-P655 HydrophobicContact CG-CG 4.5Å; F620-P655 HydrophobicContact CZ-CG 4.48Å; F649-P655 HydrophobicContact CB-CG 3.73Å; F649-P655 HydrophobicContact CD1-CB 3.67Å; F649-P655 HydrophobicContact CD1-CG 3.52Å; F649-P655 HydrophobicContact CD2-CG 4.22Å; F649-P655 HydrophobicContact CE1-CB 3.79Å; F649-P655 HydrophobicContact CE1-CG 4.17Å; F649-P655 HydrophobicContact CG-CB 4.05Å; F649-P655 HydrophobicContact CG-CG 3.54Å; F649-P655 HydrophobicContact CZ-CB 4.28Å; E653-P655 WeakPolarHBondContact O-CD 3.44Å
656	E	90	Very high	90.5	Very high	176 Å²	176	57.1 Å²	57.1	82%	0.822	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-60.8	165.5	168.1	-65.6	-167.9	159.4	0	0	111.7	I658	E656-I658 WeakPolarHBondContact O-CG1 3.43Å; E656-I658 PolarHBondContact O-N 2.97Å
657	A	89	Confident	90.7	Very high	61 Å²	61	53.9 Å²	53.9	50%	0.504	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-63.1	127.8	179.7	0	0	0	0	0	111.3	T614 L616	T614-A657 HydrophobicContact CG2-CB 4.29Å; L616-A657 HydrophobicContact CD1-CB 4.25Å
658	I	92.2	Very high	90.8	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.8	-174.6	-52.8	172.9	0	0	0	109.3	T614 L615 F617 V635 H646 F649 E656 M665	T614-I658 CarbonylContact C-O 3.53Å; T614-I658 WeakPolarHBondContact CA-O 3.48Å; L615-I658 PolarHBondContact N-O 2.85Å; L615-I658 PolarHBondContact O-N 2.87Å; F617-I658 HydrophobicContact CE2-CD1 4.32Å; V635-I658 HydrophobicContact CB-CD1 4.02Å; V635-I658 HydrophobicContact CG1-CD1 4.21Å; V635-I658 HydrophobicContact CG1-CG2 3.85Å; V635-I658 HydrophobicContact CG2-CD1 3.87Å; H646-I658 HydrophobicContact CB-CG2 3.74Å; H646-I658 WeakPolarHBondContact CD2-CG2 3.16Å; F649-I658 HydrophobicContact CD2-CD1 4.29Å; F649-I658 HydrophobicContact CE2-CD1 3.35Å; F649-I658 HydrophobicContact CZ-CD1 3.5Å; F649-I658 HydrophobicContact CZ-CG1 4.4Å; E656-I658 WeakPolarHBondContact O-CG1 3.43Å; E656-I658 PolarHBondContact O-N 2.97Å; I658-M665 HydrophobicContact CG2-CE 4.43Å; I658-M665 WeakPolarHBondContact O-CE 3.47Å
659	T	89.5	Confident	90.8	Very high	47 Å²	47	50.2 Å²	50.2	29%	0.288	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.1	178	-54.6	0	0	0	0	111.5	R612 I613 T614 H646	R612-T659 HydrophobicContact CB-CG2 4.03Å; I613-T659 CarbonylContact O-C 3.58Å; I613-T659 WeakPolarHBondContact O-CA 3.46Å; T614-T659 WeakPolarHBondContact OG1-CG2 3.39Å; T614-T659 PolarHBondContact OG1-OG1 2.78Å; H646-T659 PolarHBondContact CE1-O 3.38Å; H646-T659 PolarHBondContact NE2-O 3.3Å
660	S	89.6	Confident	90.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.			trans	-63.3	154.8	176.8	62.1	0	0	0	0	112.1	R612 I613 S637 Y662 N664	R612-S660 VanDerWaalsContact CZ-O 3.28Å; R612-S660 PolarHBondContact NE-O 3.2Å; R612-S660 PolarHBondContact NH2-O 3.29Å; I613-S660 PolarHBondContact N-OG 2.89Å; I613-S660 PolarHBondContact O-N 2.81Å; I613-S660 PolarHBondContact O-OG 3.2Å; S637-S660 WeakPolarHBondContact OG-CA 3.16Å; S660-Y662 WeakPolarHBondContact CB-O 3.41Å; S660-Y662 PolarHBondContact OG-O 2.87Å; S660-N664 WeakPolarHBondContact CB-O 3.26Å
661	Q	84.1	Confident	90.6	Very high	65 Å²	65	50.6 Å²	50.6	30%	0.304	26%	0.264	S	S	.	.	S	Bend	trans	-75.7	-35.7	173.6	-65.2	-165.9	-39.5	0	0	112.9	S637	S637-Q661 PolarHBondContact OG-N 3.27Å
662	Y	85.1	Confident	90.5	Very high	149 Å²	149	51.7 Å²	51.7	58%	0.584	27%	0.265	S	S	*	.	S	Bend	trans	-120.3	-163.2	-179.1	-55	-68.6	0	0	0	110.2	S660 N664	S660-Y662 WeakPolarHBondContact CB-O 3.41Å; S660-Y662 PolarHBondContact OG-O 2.87Å; Y662-N664 PolarHBondContact O-N 3.17Å
663	N	86.1	Confident	90.4	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.193	26%	0.264	C	S	.	.	S	Bend	trans	-81.8	17	178.5	68.7	-49.9	0	0	0	114.3	V606 A607 P608 Y611	V606-N663 WeakPolarHBondContact CA-O 3.12Å; A607-N663 PolarHBondContact N-O 3.2Å; A607-N663 WeakPolarHBondContact O-CB 3.42Å; A607-N663 PolarHBondContact O-ND2 3.41Å; P608-N663 VanDerWaalsContact O-CB 3.27Å; P608-N663 WeakPolarHBondContact O-CB 3.22Å; Y611-N663 WeakPolarHBondContact O-CA 3.2Å; Y611-N663 WeakPolarHBondContact O-CB 3.39Å; Y611-N663 PolarHBondContact O-N 3.44Å
664	N	91.1	Very high	90	Very high	32 Å²	32	48.9 Å²	48.9	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.1	179.8	56	36.2	0	0	0	112.4	L605 V606 G638 L639 S660 Y662	L605-N664 CarbonylContact O-C 3.52Å; L605-N664 WeakPolarHBondContact O-CA 3.48Å; V606-N664 HydrophobicContact CG2-CB 4.07Å; G638-N664 WeakPolarHBondContact CA-OD1 3.03Å; L639-N664 HydrophobicContact CD2-CB 3.94Å; L639-N664 HydrophobicContact CG-CB 3.97Å; S660-N664 WeakPolarHBondContact CB-O 3.26Å; Y662-N664 PolarHBondContact O-N 3.17Å
665	M	92.9	Very high	89.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	138.2	-179.5	-174.9	-178.3	-76.8	0	0	109.9	L605 I613 L615 V635 R636 I658 I667	L605-M665 HydrophobicContact CB-CB 4.36Å; L605-M665 HydrophobicContact CD1-SD 4.48Å; L605-M665 PolarHBondContact N-O 3.39Å; L605-M665 PolarHBondContact O-N 3.22Å; I613-M665 HydrophobicContact CB-CB 4.4Å; I613-M665 HydrophobicContact CB-CE 4.41Å; I613-M665 HydrophobicContact CD1-CB 4.39Å; I613-M665 HydrophobicContact CG2-CB 4.48Å; I613-M665 HydrophobicContact CG2-CE 4.46Å; I613-M665 HydrophobicContact CG2-SD 4.45Å; I613-M665 WeakPolarHBondContact O-CE 3.39Å; L615-M665 HydrophobicContact CB-CE 4.36Å; L615-M665 HydrophobicContact CB-SD 3.9Å; L615-M665 HydrophobicContact CD2-SD 4.41Å; V635-M665 HydrophobicContact CG1-CE 4.42Å; V635-M665 HydrophobicContact CG1-CG 4.03Å; V635-M665 HydrophobicContact CG1-SD 3.8Å; R636-M665 WeakPolarHBondContact O-CA 3.31Å; R636-M665 WeakPolarHBondContact O-CG 3.28Å; I658-M665 HydrophobicContact CG2-CE 4.43Å; I658-M665 WeakPolarHBondContact O-CE 3.47Å; M665-I667 HydrophobicContact CB-CD1 4.47Å; M665-I667 HydrophobicContact CG-CD1 3.84Å; M665-I667 HydrophobicContact CG-CG1 4.39Å; M665-I667 HydrophobicContact SD-CD1 3.91Å; M665-I667 HydrophobicContact SD-CG1 4.29Å
666	R	93.6	Very high	89.3	Confident	20 Å²	20	48 Å²	48	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.3	172.4	177.9	176.3	-178.4	-88.6	-3.4	109.5	I602 W603 Q604 R636 G638 E668	I602-R666 HydrophobicContact CG2-CG 4.08Å; W603-R666 WeakPolarHBondContact O-CA 3.46Å; Q604-R666 HydrophobicContact CG-CG 4.49Å; R636-R666 PolarHBondContact N-O 2.78Å; R636-R666 PolarHBondContact O-N 3.1Å; G638-R666 WeakPolarHBondContact O-CB 3.32Å; G638-R666 PolarHBondContact O-N 2.83Å; R666-E668 IonicContact CZ-OE2 2.99Å; R666-E668 IonicContact NH1-OE2 3.87Å; R666-E668 PolarHBondContact NH1-OE2 3.46Å; R666-E668 VanDerWaalsContact NH2-CD 3.34Å; R666-E668 IonicContact NH2-OE1 3.98Å; R666-E668 IonicContact NH2-OE2 3.93Å; R666-E668 PolarHBondContact NH2-OE2 3.39Å
667	I	94.7	Very high	89.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122	175.3	-55.6	88.2	0	0	0	107.2	I586 I602 W603 L605 L615 V633 E634 V635 M665	I586-I667 HydrophobicContact CD1-CB 4.37Å; I586-I667 HydrophobicContact CD1-CD1 4.46Å; I586-I667 HydrophobicContact CD1-CG1 4.28Å; I586-I667 HydrophobicContact CD1-CG2 4.18Å; I602-I667 CarbonylContact C-O 3.45Å; I602-I667 WeakPolarHBondContact CA-O 3.49Å; W603-I667 HydrophobicContact CB-CB 4.35Å; W603-I667 HydrophobicContact CB-CD1 4.38Å; W603-I667 HydrophobicContact CE3-CB 4.26Å; W603-I667 HydrophobicContact CE3-CG2 4.09Å; W603-I667 PolarHBondContact N-O 3.24Å; W603-I667 PolarHBondContact O-N 2.89Å; L605-I667 HydrophobicContact CD1-CD1 3.61Å; L605-I667 HydrophobicContact CG-CD1 3.77Å; L615-I667 HydrophobicContact CD2-CG1 3.84Å; V633-I667 HydrophobicContact CG1-CG2 3.76Å; E634-I667 CarbonylContact O-C 3.56Å; E634-I667 WeakPolarHBondContact O-CA 3.5Å; V635-I667 HydrophobicContact CG1-CG1 4.38Å; V635-I667 HydrophobicContact CG2-CG1 4.47Å; V635-I667 HydrophobicContact CG2-CG2 4.38Å; M665-I667 HydrophobicContact CB-CD1 4.47Å; M665-I667 HydrophobicContact CG-CD1 3.84Å; M665-I667 HydrophobicContact CG-CG1 4.39Å; M665-I667 HydrophobicContact SD-CD1 3.91Å; M665-I667 HydrophobicContact SD-CG1 4.29Å
668	E	93.8	Very high	89.3	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.065	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.3	178.8	179.7	172	-174.5	0	0	109.6	N600 C601 I602 V633 E634 R666 K670	N600-E668 PolarHBondContact OD1-OE1 2.81Å; C601-E668 CarbonylContact O-C 3.53Å; C601-E668 WeakPolarHBondContact O-CA 3.29Å; I602-E668 HydrophobicContact CG1-CB 4.46Å; I602-E668 HydrophobicContact CG1-CG 4.16Å; V633-E668 CarbonylContact C-O 3.56Å; V633-E668 WeakPolarHBondContact CA-O 3.43Å; E634-E668 HydrophobicContact CB-CB 4.41Å; E634-E668 PolarHBondContact N-O 2.81Å; E634-E668 PolarHBondContact O-N 3.33Å; R666-E668 IonicContact CZ-OE2 2.99Å; R666-E668 IonicContact NH1-OE2 3.87Å; R666-E668 PolarHBondContact NH1-OE2 3.46Å; R666-E668 VanDerWaalsContact NH2-CD 3.34Å; R666-E668 IonicContact NH2-OE1 3.98Å; R666-E668 IonicContact NH2-OE2 3.93Å; R666-E668 PolarHBondContact NH2-OE2 3.39Å; E668-K670 HydrophobicContact CG-CG 4.4Å; E668-K670 WeakPolarHBondContact OE1-CE 3.44Å; E668-K670 IonicContact OE1-NZ 3.62Å; E668-K670 PolarHBondContact OE1-NZ 2.78Å
669	F	94.2	Very high	89.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.5	171.4	170.6	-119.8	0	0	0	109.5	P589 Y595 N600 C601 W603 T622 Y632 V633 F680	P589-F669 HydrophobicContact CG-CD1 4.49Å; P589-F669 HydrophobicContact CG-CE1 4.24Å; Y595-F669 AromaticContact CD1-CZ 3.86Å; Y595-F669 HydrophobicContact CD1-CZ 3.86Å; Y595-F669 HydrophobicContact CD2-CE1 4.2Å; Y595-F669 AromaticContact CD2-CZ 3.65Å; Y595-F669 HydrophobicContact CD2-CZ 3.65Å; Y595-F669 HydrophobicContact CE1-CZ 4.1Å; Y595-F669 AromaticContact CE2-CZ 3.92Å; Y595-F669 HydrophobicContact CE2-CZ 3.92Å; Y595-F669 HydrophobicContact CG-CE1 4.05Å; Y595-F669 AromaticContact CG-CZ 3.62Å; Y595-F669 HydrophobicContact CG-CZ 3.62Å; N600-F669 CarbonylContact C-O 3.57Å; N600-F669 WeakPolarHBondContact CA-O 3.37Å; C601-F669 HydrophobicContact CB-CB 4.23Å; C601-F669 HydrophobicContact CB-CD1 4.44Å; C601-F669 PolarHBondContact N-O 3.27Å; C601-F669 PolarHBondContact O-N 2.87Å; W603-F669 HydrophobicContact CH2-CB 4.33Å; W603-F669 HydrophobicContact CZ3-CB 3.85Å; T622-F669 HydrophobicContact CG2-CE2 4.03Å; Y632-F669 WeakPolarHBondContact O-CA 3.14Å; Y632-F669 WeakPolarHBondContact O-CD2 3.37Å; V633-F669 HydrophobicContact CG2-CB 4.3Å; V633-F669 HydrophobicContact CG2-CD2 3.69Å; V633-F669 HydrophobicContact CG2-CG 4.39Å; F669-F680 HydrophobicContact CB-CE1 3.83Å; F669-F680 HydrophobicContact CB-CZ 4.03Å; F669-F680 HydrophobicContact CD1-CE1 4.22Å; F669-F680 HydrophobicContact CD2-CD1 4.44Å; F669-F680 AromaticContact CD2-CE1 3.73Å; F669-F680 HydrophobicContact CD2-CE1 3.73Å; F669-F680 HydrophobicContact CE2-CE1 4.35Å; F669-F680 AromaticContact CG-CE1 3.65Å; F669-F680 HydrophobicContact CG-CE1 3.65Å; F669-F680 HydrophobicContact CG-CZ 4.31Å
670	K	91.9	Very high	89.5	Confident	65 Å²	65	42.9 Å²	42.9	28%	0.283	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134	171.1	-73.7	-162.8	-178.7	132.6	0	111.5	K599 N600 D631 Y632 E668	K599-K670 CarbonylContact O-C 3.54Å; K599-K670 VanDerWaalsContact O-CA 3.27Å; K599-K670 WeakPolarHBondContact O-CA 3.09Å; N600-K670 HydrophobicContact CB-CG 4.37Å; N600-K670 WeakPolarHBondContact ND2-CE 3Å; N600-K670 WeakPolarHBondContact OD1-CE 3.46Å; D631-K670 VanDerWaalsContact CA-O 3.29Å; D631-K670 WeakPolarHBondContact CA-O 3Å; Y632-K670 HydrophobicContact CD1-CB 4.31Å; Y632-K670 HydrophobicContact CE1-CB 3.89Å; Y632-K670 HydrophobicContact CE1-CD 4.31Å; Y632-K670 HydrophobicContact CE1-CG 4.5Å; Y632-K670 HydrophobicContact CE2-CB 4.45Å; Y632-K670 PolarHBondContact N-O 3.17Å; Y632-K670 PolarHBondContact O-N 3.38Å; Y632-K670 WeakPolarHBondContact OH-CD 3.44Å; Y632-K670 PolarHBondContact OH-NZ 2.75Å; E668-K670 HydrophobicContact CG-CG 4.4Å; E668-K670 WeakPolarHBondContact OE1-CE 3.44Å; E668-K670 IonicContact OE1-NZ 3.62Å; E668-K670 PolarHBondContact OE1-NZ 2.78Å
671	S	91.4	Very high	89.7	Confident	10 Å²	10	46.2 Å²	46.2	7%	0.07	23%	0.225	C	C	.	.			trans	-113.4	143.8	164.2	58.3	0	0	0	0	111.3	P596 N598 K599 D631	P596-S671 PolarHBondContact O-OG 3.45Å; N598-S671 VanDerWaalsContact CA-O 3.24Å; N598-S671 WeakPolarHBondContact CA-O 3.4Å; N598-S671 PolarHBondContact N-O 2.82Å; N598-S671 PolarHBondContact N-OG 2.94Å; K599-S671 PolarHBondContact N-OG 3.4Å; K599-S671 PolarHBondContact O-N 2.86Å; D631-S671 WeakPolarHBondContact OD1-CA 3.42Å
672	D	88.1	Confident	90.2	Very high	38 Å²	38	43.1 Å²	43.1	20%	0.203	21%	0.211	C	C	.	.			trans	-85.3	-169.3	174.2	75.8	19.7	0	0	0	111.9	P597 N598 Y630 D631 T674	P597-D672 CarbonylContact C-O 3.49Å; P597-D672 VanDerWaalsContact CA-O 3.23Å; P597-D672 WeakPolarHBondContact CA-O 3.28Å; P597-D672 WeakPolarHBondContact CB-O 3.32Å; N598-D672 PolarHBondContact N-O 2.84Å; Y630-D672 WeakPolarHBondContact CD1-OD2 3.35Å; D631-D672 PolarHBondContact OD1-N 3.42Å; D672-T674 PolarHBondContact O-N 3.38Å; D672-T674 VanDerWaalsContact OD1-CA 3.31Å; D672-T674 WeakPolarHBondContact OD1-CA 3.33Å; D672-T674 PolarHBondContact OD1-N 3.04Å; D672-T674 PolarHBondContact OD1-OG1 3.27Å; D672-T674 PolarHBondContact OD2-OG1 3.46Å
673	N	87.4	Confident	90.6	Very high	115 Å²	115	39.9 Å²	39.9	62%	0.615	20%	0.201	S	C	*	.	S	Bend	trans	-83.8	2.5	-177.5	71.3	-22.3	0	0	0	113.9	N598	N598-N673 WeakPolarHBondContact ND2-CB 3.38Å; N598-N673 WeakPolarHBondContact OD1-CB 2.96Å; N598-N673 PolarHBondContact OD1-N 3.31Å
674	T	81.6	Confident	90.9	Very high	73 Å²	73	38.4 Å²	38.4	45%	0.448	19%	0.193	S	C	.	.	S	Bend	trans	-120.8	-148.4	-175.4	49	0	0	0	0	111	D672 S676	D672-T674 PolarHBondContact O-N 3.38Å; D672-T674 VanDerWaalsContact OD1-CA 3.31Å; D672-T674 WeakPolarHBondContact OD1-CA 3.33Å; D672-T674 PolarHBondContact OD1-N 3.04Å; D672-T674 PolarHBondContact OD1-OG1 3.27Å; D672-T674 PolarHBondContact OD2-OG1 3.46Å; T674-S676 PolarHBondContact O-N 2.87Å
675	V	80.2	Confident	90.8	Very high	70 Å²	70	39.5 Å²	39.5	42%	0.424	20%	0.196	S	C	.	.			trans	-52.1	116.8	-149.5	176.8	0	0	0	0	114.1	E623 K677	E623-V675 WeakPolarHBondContact CB-O 3.23Å; E623-V675 HydrophobicContact CG-CB 4.32Å; E623-V675 WeakPolarHBondContact OE2-CB 3.42Å; E623-V675 PolarHBondContact OE2-N 2.03Å; V675-K677 HydrophobicContact CG1-CD 4.48Å
676	S	88	Confident	90.3	Very high	25 Å²	25	40.3 Å²	40.3	18%	0.175	20%	0.202	C	C	.	.			trans	-83.2	144.5	169.6	-60.4	0	0	0	0	112.5	Y595 T674	Y595-S676 WeakPolarHBondContact O-CB 3.42Å; Y595-S676 PolarHBondContact O-OG 3.38Å; T674-S676 PolarHBondContact O-N 2.87Å
677	K	91.3	Very high	89.5	Confident	77 Å²	77	40 Å²	40	34%	0.335	20%	0.202	S	C	.	.			trans	-118.6	-177	168.4	-62.2	-63.1	-177.4	-177.9	0	110.1	E594 Y595 E621 V675 G679	E594-K677 WeakPolarHBondContact CA-O 3.48Å; E594-K677 WeakPolarHBondContact CB-O 3.12Å; Y595-K677 WeakPolarHBondContact CD1-O 3.12Å; Y595-K677 HydrophobicContact CE1-CB 3.93Å; Y595-K677 WeakPolarHBondContact CE1-O 3.05Å; Y595-K677 VanDerWaalsContact CZ-N 3.31Å; Y595-K677 PolarHBondContact N-O 2.88Å; Y595-K677 VanDerWaalsContact N-O 3.16Å; Y595-K677 PolarHBondContact OH-N 2.76Å; E621-K677 HydrophobicContact CG-CB 4.08Å; E621-K677 HydrophobicContact CG-CG 4.49Å; E621-K677 VanDerWaalsContact O-CB 3.26Å; E621-K677 WeakPolarHBondContact O-CB 3.32Å; V675-K677 HydrophobicContact CG1-CD 4.48Å; K677-G679 PolarHBondContact O-N 2.72Å; K677-G679 VanDerWaalsContact O-N 3.17Å
678	K	89.3	Confident	88.6	Confident	112 Å²	112	43.2 Å²	43.2	49%	0.487	22%	0.216	S	C	.	.			trans	-60.7	-24.2	179.2	-70	-176.6	-174	160.5	0	113.6	W591 E621	W591-K678 HydrophobicContact CZ3-CB 4.2Å; W591-K678 WeakPolarHBondContact CZ3-O 3.43Å; E621-K678 HydrophobicContact CB-CB 4.47Å; E621-K678 WeakPolarHBondContact OE2-CD 3.38Å
679	G	91.9	Very high	87.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.4	-142.7	-179.3	0	0	0	0	0	112.2	S588 Y595 E621 K677	S588-G679 WeakPolarHBondContact OG-CA 3.27Å; Y595-G679 VanDerWaalsContact CD1-CA 3.41Å; E621-G679 PolarHBondContact N-O 2.91Å; E621-G679 CarbonylContact O-C 3.58Å; E621-G679 WeakPolarHBondContact O-CA 3.43Å; E621-G679 PolarHBondContact O-N 2.75Å; K677-G679 PolarHBondContact O-N 2.72Å; K677-G679 VanDerWaalsContact O-N 3.17Å
680	F	94.3	Very high	86.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.7	-173.9	66.2	-90.1	0	0	0	113.1	I586 T587 S588 W603 F617 V619 F620 V633 F669 A682	I586-F680 HydrophobicContact CD1-CE2 4.43Å; I586-F680 HydrophobicContact CG1-CE2 4.42Å; T587-F680 CarbonylContact C-O 3.48Å; T587-F680 WeakPolarHBondContact CA-O 2.91Å; S588-F680 PolarHBondContact N-O 2.72Å; S588-F680 PolarHBondContact OG-N 2.95Å; S588-F680 PolarHBondContact OG-O 2.8Å; W603-F680 HydrophobicContact CH2-CE2 4.45Å; W603-F680 AromaticContact CH2-CZ 3.79Å; W603-F680 HydrophobicContact CH2-CZ 3.79Å; W603-F680 HydrophobicContact CZ3-CE2 4.46Å; W603-F680 AromaticContact CZ3-CZ 3.75Å; W603-F680 HydrophobicContact CZ3-CZ 3.75Å; F617-F680 HydrophobicContact CD1-CB 4.08Å; F617-F680 HydrophobicContact CD1-CD2 4.13Å; F617-F680 HydrophobicContact CD1-CG 4.33Å; F617-F680 HydrophobicContact CE1-CB 4.25Å; F617-F680 AromaticContact CE1-CD2 3.74Å; F617-F680 HydrophobicContact CE1-CD2 3.74Å; F617-F680 HydrophobicContact CE1-CE2 4.31Å; F617-F680 HydrophobicContact CE1-CG 4.04Å; V619-F680 WeakPolarHBondContact O-CA 2.86Å; V619-F680 VanDerWaalsContact O-CB 3.26Å; V619-F680 WeakPolarHBondContact O-CB 3.49Å; F620-F680 HydrophobicContact CD2-CB 3.79Å; F620-F680 HydrophobicContact CD2-CG 4.42Å; F620-F680 HydrophobicContact CE2-CB 4.44Å; V633-F680 HydrophobicContact CG2-CD1 3.6Å; V633-F680 HydrophobicContact CG2-CE1 3.39Å; V633-F680 HydrophobicContact CG2-CG 4.43Å; V633-F680 HydrophobicContact CG2-CZ 4.06Å; F669-F680 HydrophobicContact CB-CE1 3.83Å; F669-F680 HydrophobicContact CB-CZ 4.03Å; F669-F680 HydrophobicContact CD1-CE1 4.22Å; F669-F680 HydrophobicContact CD2-CD1 4.44Å; F669-F680 AromaticContact CD2-CE1 3.73Å; F669-F680 HydrophobicContact CD2-CE1 3.73Å; F669-F680 HydrophobicContact CE2-CE1 4.35Å; F669-F680 AromaticContact CG-CE1 3.65Å; F669-F680 HydrophobicContact CG-CE1 3.65Å; F669-F680 HydrophobicContact CG-CZ 4.31Å; F680-A682 HydrophobicContact CD2-CB 4.41Å
681	K	93.6	Very high	85.9	Confident	69 Å²	69	44 Å²	44	30%	0.3	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.3	163.2	176	177.9	176.4	-166.3	0	107.1	T587 W591 D618 V619	T587-K681 HydrophobicContact CG2-CB 4.06Å; T587-K681 HydrophobicContact CG2-CD 4.41Å; T587-K681 HydrophobicContact CG2-CG 3.85Å; W591-K681 HydrophobicContact CD2-CB 4.32Å; W591-K681 HydrophobicContact CZ2-CB 4.04Å; D618-K681 HydrophobicContact CB-CB 4.47Å; D618-K681 HydrophobicContact CB-CG 4.37Å; D618-K681 WeakPolarHBondContact CB-O 3.33Å; D618-K681 PolarHBondContact N-O 3.42Å; D618-K681 WeakPolarHBondContact OD2-CE 3.05Å; D618-K681 IonicContact OD2-NZ 3.51Å; V619-K681 PolarHBondContact N-O 3.34Å; V619-K681 PolarHBondContact O-N 2.9Å
682	A	93.9	Very high	84.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.1	177.7	0	0	0	0	0	110.7	S585 I586 L615 L616 F617 F680	S585-A682 CarbonylContact C-O 3.49Å; S585-A682 WeakPolarHBondContact CA-O 3.19Å; S585-A682 WeakPolarHBondContact CB-O 3.43Å; I586-A682 HydrophobicContact CD1-CB 4.45Å; I586-A682 HydrophobicContact CG1-CB 3.92Å; I586-A682 PolarHBondContact N-O 3.16Å; I586-A682 PolarHBondContact O-N 3.4Å; L615-A682 HydrophobicContact CD1-CB 3.77Å; L615-A682 HydrophobicContact CG-CB 4.27Å; L616-A682 CarbonylContact O-C 3.49Å; L616-A682 WeakPolarHBondContact O-CA 3.4Å; F617-A682 HydrophobicContact CD1-CB 3.68Å; F617-A682 HydrophobicContact CE1-CB 3.9Å; F617-A682 HydrophobicContact CG-CB 4.18Å; F680-A682 HydrophobicContact CD2-CB 4.41Å
683	Q	93.3	Very high	83.8	Confident	82 Å²	82	53.5 Å²	53.5	38%	0.383	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.1	171	-59.5	-174	12.2	0	0	108.7	G584 L616 D618	G584-Q683 WeakPolarHBondContact O-CA 3.47Å; L616-Q683 PolarHBondContact N-O 3.28Å; L616-Q683 PolarHBondContact O-N 3.49Å; D618-Q683 PolarHBondContact OD1-NE2 3.21Å; D618-Q683 WeakPolarHBondContact OD2-CG 3.49Å; D618-Q683 PolarHBondContact OD2-NE2 2.89Å
684	F	93.1	Very high	83.1	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.1	171.9	70.8	-90.1	0	0	0	109.9	I579 K581 N583 G584 I586 L605 I613 T614 L615	I579-F684 HydrophobicContact CD1-CE1 4.34Å; I579-F684 HydrophobicContact CG2-CE1 4.33Å; I579-F684 HydrophobicContact CG2-CE2 4.2Å; I579-F684 HydrophobicContact CG2-CZ 3.55Å; K581-F684 WeakPolarHBondContact O-CE2 3.39Å; N583-F684 CarbonylContact C-O 3.5Å; N583-F684 VanDerWaalsContact CA-O 3.24Å; N583-F684 WeakPolarHBondContact CA-O 3.31Å; G584-F684 VanDerWaalsContact C-CE1 3.48Å; G584-F684 PolarHBondContact N-O 3.35Å; G584-F684 PolarHBondContact O-N 3.03Å; I586-F684 HydrophobicContact CG2-CD1 4.15Å; I586-F684 HydrophobicContact CG2-CE1 4.09Å; L605-F684 HydrophobicContact CD1-CB 3.76Å; L605-F684 HydrophobicContact CD1-CD1 4.1Å; L605-F684 HydrophobicContact CD1-CD2 3.92Å; L605-F684 HydrophobicContact CD1-CG 3.64Å; L605-F684 HydrophobicContact CD2-CD1 4.23Å; L605-F684 HydrophobicContact CD2-CD2 4.4Å; L605-F684 HydrophobicContact CD2-CE1 4.15Å; L605-F684 HydrophobicContact CD2-CE2 4.34Å; L605-F684 HydrophobicContact CD2-CG 4.37Å; L605-F684 HydrophobicContact CD2-CZ 4.24Å; I613-F684 HydrophobicContact CG2-CB 4.41Å; T614-F684 VanDerWaalsContact O-CA 3.23Å; T614-F684 WeakPolarHBondContact O-CA 3.5Å; L615-F684 HydrophobicContact CD1-CB 4Å
685	F	87.9	Confident	82.9	Confident	55 Å²	55	55.7 Å²	55.7	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.9	173.6	53.4	-90.9	0	0	0	109.7	L582 N583 T614 F706	L582-F685 CarbonylContact O-C 3.53Å; L582-F685 WeakPolarHBondContact O-CA 3.45Å; N583-F685 HydrophobicContact CB-CB 4.11Å; T614-F685 HydrophobicContact CG2-CE1 4.28Å; T614-F685 HydrophobicContact CG2-CE2 3.99Å; T614-F685 HydrophobicContact CG2-CZ 3.61Å; T614-F685 PolarHBondContact N-O 2.72Å; T614-F685 PolarHBondContact O-N 3.29Å; F685-F706 HydrophobicContact CD2-CD1 4.29Å; F685-F706 AromaticContact CE2-CD1 3.37Å; F685-F706 HydrophobicContact CE2-CD1 3.37Å; F685-F706 AromaticContact CE2-CE1 3.45Å; F685-F706 HydrophobicContact CE2-CE1 3.45Å; F685-F706 VanDerWaalsContact CE2-CE1 3.45Å; F685-F706 HydrophobicContact CE2-CG 4.41Å; F685-F706 AromaticContact CZ-CD1 3.92Å; F685-F706 HydrophobicContact CZ-CD1 3.92Å; F685-F706 AromaticContact CZ-CE1 3.65Å; F685-F706 HydrophobicContact CZ-CE1 3.65Å; F685-F706 HydrophobicContact CZ-CZ 4.37Å
686	S	83.8	Confident	82.6	Confident	18 Å²	18	52.8 Å²	52.8	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.2	-178.3	-50.5	0	0	0	0	108	L582 R612	L582-S686 WeakPolarHBondContact O-CB 3.35Å; L582-S686 PolarHBondContact O-N 3.01Å; L582-S686 PolarHBondContact O-OG 3Å; L582-S686 VanDerWaalsContact O-OG 3.05Å; R612-S686 CarbonylContact O-C 3.56Å; R612-S686 VanDerWaalsContact O-CA 3.31Å; R612-S686 WeakPolarHBondContact O-CA 3.38Å
687	D	77.2	Confident	82	Confident	14 Å²	14	53.8 Å²	53.8	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.4	-178.5	-176.5	49	0	0	0	110.1	Y611 R612 N704 G707	Y611-D687 CarbonylContact C-O 3.46Å; Y611-D687 VanDerWaalsContact CA-O 3.25Å; Y611-D687 WeakPolarHBondContact CA-O 3.34Å; R612-D687 PolarHBondContact N-O 3.3Å; R612-D687 PolarHBondContact O-N 2.98Å; D687-N704 PolarHBondContact OD2-ND2 2.87Å; D687-G707 VanDerWaalsContact OD1-CA 3.26Å; D687-G707 WeakPolarHBondContact OD1-CA 3.5Å; D687-G707 PolarHBondContact OD1-N 3.15Å
688	K	74.3	Confident	81.6	Confident	67 Å²	67	50.6 Å²	50.6	29%	0.291	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123	176.7	175.3	179.8	175.2	-168.5	0	107.2	Q610 Y611 E690 N704	Q610-K688 HydrophobicContact CB-CG 4.41Å; Y611-K688 HydrophobicContact CD1-CB 4.02Å; Y611-K688 HydrophobicContact CE1-CB 3.87Å; Y611-K688 HydrophobicContact CE2-CB 4.43Å; Y611-K688 HydrophobicContact CG-CB 4.36Å; K688-E690 VanDerWaalsContact C-N 3.33Å; K688-E690 WeakPolarHBondContact CB-OE1 3.43Å; K688-E690 HydrophobicContact CD-CG 4.1Å; K688-E690 WeakPolarHBondContact CD-OE1 3.31Å; K688-E690 HydrophobicContact CG-CG 4.11Å; K688-E690 PolarHBondContact O-N 2.81Å; K688-N704 PolarHBondContact O-OD1 3.42Å
689	D	68.4	Low	81.1	Confident	36 Å²	36	50.2 Å²	50.2	19%	0.193	26%	0.263	C	S	.	.			trans	-80.3	84.6	175.4	-173.9	-14.3	0	0	0	109.3	C691 S692 N704	D689-C691 PolarHBondContact O-N 3.2Å; D689-C691 WeakPolarHBondContact OD1-CB 3.37Å; D689-C691 PolarHBondContact OD1-N 2.62Å; D689-S692 WeakPolarHBondContact O-CB 3.34Å; D689-S692 PolarHBondContact O-N 3.01Å; D689-S692 PolarHBondContact O-OG 2.97Å; D689-S692 PolarHBondContact OD1-N 2.87Å; D689-N704 WeakPolarHBondContact CA-OD1 3.34Å
690	E	78.9	Confident	80.7	Confident	39 Å²	39	52 Å²	52	18%	0.182	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-66.2	-21.1	-179.2	-71	94.4	-170.7	0	0	113.2	K688 S692 K693 G696 N704 S708 Y709	K688-E690 VanDerWaalsContact C-N 3.33Å; K688-E690 WeakPolarHBondContact CB-OE1 3.43Å; K688-E690 HydrophobicContact CD-CG 4.1Å; K688-E690 WeakPolarHBondContact CD-OE1 3.31Å; K688-E690 HydrophobicContact CG-CG 4.11Å; K688-E690 PolarHBondContact O-N 2.81Å; E690-S692 VanDerWaalsContact C-N 3.31Å; E690-S692 PolarHBondContact O-N 3.28Å; E690-K693 PolarHBondContact O-N 2.92Å; E690-G696 WeakPolarHBondContact O-CA 3.35Å; E690-G696 PolarHBondContact O-N 3.45Å; E690-N704 PolarHBondContact N-OD1 2.72Å; E690-S708 VanDerWaalsContact OE2-C 3.28Å; E690-Y709 HydrophobicContact CB-CD1 3.17Å; E690-Y709 HydrophobicContact CB-CE1 3.65Å; E690-Y709 HydrophobicContact CB-CG 3.73Å; E690-Y709 HydrophobicContact CG-CD1 3.56Å; E690-Y709 HydrophobicContact CG-CE1 3.87Å; E690-Y709 WeakPolarHBondContact OE2-CD1 3.15Å
691	C	77.3	Confident	79.9	Confident	21 Å²	21	56.7 Å²	56.7	14%	0.142	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-71.3	-26.5	177	-62.5	0	0	0	0	113	D689 K693 N695 C702 V703 N704	D689-C691 PolarHBondContact O-N 3.2Å; D689-C691 WeakPolarHBondContact OD1-CB 3.37Å; D689-C691 PolarHBondContact OD1-N 2.62Å; C691-K693 PolarHBondContact O-N 3.48Å; C691-K693 VanDerWaalsContact O-N 3.13Å; C691-N695 WeakPolarHBondContact O-CA 3.29Å; C691-N695 PolarHBondContact O-N 2.89Å; C691-C702 WeakPolarHBondContact CA-SG 3.3Å; C691-C702 HydrophobicContact CB-CB 3.63Å; C691-C702 WeakPolarHBondContact CB-SG 3.17Å; C691-C702 WeakPolarHBondContact SG-CB 3.29Å; C691-C702 PolarHBondContact SG-O 2.81Å; C691-C702 CovalentContact SG-SG 2.04Å; C691-C702 PolarHBondContact SG-SG 2.85Å; C691-V703 VanDerWaalsContact SG-C 3.51Å; C691-N704 HydrophobicContact CB-CB 4.46Å; C691-N704 PolarHBondContact SG-N 2.61Å
692	S	68.7	Low	79.3	Confident	94 Å²	94	54.2 Å²	54.2	66%	0.657	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.8	178.1	70.7	0	0	0	0	114.3	D689 E690	D689-S692 WeakPolarHBondContact O-CB 3.34Å; D689-S692 PolarHBondContact O-N 3.01Å; D689-S692 PolarHBondContact O-OG 2.97Å; D689-S692 PolarHBondContact OD1-N 2.87Å; E690-S692 VanDerWaalsContact C-N 3.31Å; E690-S692 PolarHBondContact O-N 3.28Å
693	K	65.1	Low	78.6	Confident	153 Å²	153	56.3 Å²	56.3	67%	0.665	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	116.9	179.3	-166.9	178.3	-179.6	-175.7	0	110.5	E690 C691 N695 G696	E690-K693 PolarHBondContact O-N 2.92Å; C691-K693 PolarHBondContact O-N 3.48Å; C691-K693 VanDerWaalsContact O-N 3.13Å; K693-N695 PolarHBondContact O-N 2.86Å; K693-N695 VanDerWaalsContact O-N 3.11Å; K693-G696 PolarHBondContact O-N 3.01Å; K693-G696 VanDerWaalsContact O-N 3.1Å
694	E	72.7	Confident	77.3	Confident	173 Å²	173	54.9 Å²	54.9	81%	0.808	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	51.2	32.3	179.3	-63.8	-179.9	-172.5	0	0	114.1	G696 G697	E694-G696 PolarHBondContact O-N 3.23Å; E694-G697 PolarHBondContact O-N 2.85Å
695	N	78.2	Confident	75.9	Confident	61 Å²	61	57.2 Å²	57.2	33%	0.326	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	55.7	33.1	-178.7	-164	43.4	0	0	0	112.7	C691 K693 G697 C698 H700 C702	C691-N695 WeakPolarHBondContact O-CA 3.29Å; C691-N695 PolarHBondContact O-N 2.89Å; K693-N695 PolarHBondContact O-N 2.86Å; K693-N695 VanDerWaalsContact O-N 3.11Å; N695-G697 PolarHBondContact O-N 3.21Å; N695-C698 PolarHBondContact ND2-O 2.68Å; N695-C698 VanDerWaalsContact O-CB 3.26Å; N695-C698 WeakPolarHBondContact O-CB 3.44Å; N695-C698 PolarHBondContact O-N 2.03Å; N695-C698 PolarHBondContact O-SG 3.2Å; N695-C698 VanDerWaalsContact O-SG 3.36Å; N695-H700 PolarHBondContact ND2-O 2.89Å; N695-C702 WeakPolarHBondContact O-CB 3.42Å; N695-C702 VanDerWaalsContact OD1-CB 3.24Å; N695-C702 WeakPolarHBondContact OD1-CB 3.24Å; N695-C702 PolarHBondContact OD1-N 3.01Å
696	G	73.5	Confident	74.5	Confident	9 Å²	9	62.4 Å²	62.4	9%	0.093	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	58.9	14.7	-174.4	0	0	0	0	0	114.2	E690 K693 E694 C698 Y709 H724	E690-G696 WeakPolarHBondContact O-CA 3.35Å; E690-G696 PolarHBondContact O-N 3.45Å; K693-G696 PolarHBondContact O-N 3.01Å; K693-G696 VanDerWaalsContact O-N 3.1Å; E694-G696 PolarHBondContact O-N 3.23Å; G696-C698 VanDerWaalsContact C-N 3.26Å; G696-C698 PolarHBondContact O-N 2.87Å; G696-Y709 WeakPolarHBondContact O-CE2 3.46Å; G696-Y709 VanDerWaalsContact O-CZ 3.28Å; G696-Y709 PolarHBondContact O-OH 3.18Å; G696-Y709 VanDerWaalsContact O-OH 3.07Å; G696-H724 PolarHBondContact O-CE1 3.2Å; G696-H724 VanDerWaalsContact O-CE1 3.3Å
697	G	75.4	Confident	73.4	Confident	45 Å²	45	64.7 Å²	64.7	46%	0.464	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	71	17.3	-170	0	0	0	0	0	114.2	E694 N695 H724	E694-G697 PolarHBondContact O-N 2.85Å; N695-G697 PolarHBondContact O-N 3.21Å; G697-H724 PolarHBondContact O-ND1 3.4Å
698	C	83.4	Confident	73	Confident	11 Å²	11	66.9 Å²	66.9	7%	0.074	37%	0.372	C	S	.	.			trans	-79.3	134.8	175	-57.7	0	0	0	0	111.2	N695 G696 H700 E701 C702 C711	N695-C698 PolarHBondContact ND2-O 2.68Å; N695-C698 VanDerWaalsContact O-CB 3.26Å; N695-C698 WeakPolarHBondContact O-CB 3.44Å; N695-C698 PolarHBondContact O-N 2.03Å; N695-C698 PolarHBondContact O-SG 3.2Å; N695-C698 VanDerWaalsContact O-SG 3.36Å; G696-C698 VanDerWaalsContact C-N 3.26Å; G696-C698 PolarHBondContact O-N 2.87Å; C698-H700 VanDerWaalsContact C-N 3.34Å; C698-H700 PolarHBondContact O-N 2.86Å; C698-E701 WeakPolarHBondContact CB-O 3.35Å; C698-C702 HydrophobicContact CB-CB 4.04Å; C698-C702 VanDerWaalsContact SG-CB 3.5Å; C698-C711 WeakPolarHBondContact CA-SG 3.45Å; C698-C711 HydrophobicContact CB-CB 3.53Å; C698-C711 WeakPolarHBondContact CB-SG 3.49Å; C698-C711 WeakPolarHBondContact SG-CA 3.37Å; C698-C711 WeakPolarHBondContact SG-CB 3.29Å; C698-C711 CovalentContact SG-SG 2.01Å; C698-C711 PolarHBondContact SG-SG 2.85Å
699	Q	79.1	Confident	73.2	Confident	104 Å²	104	66.9 Å²	66.9	49%	0.486	37%	0.371	S	S	.	.	S	Bend	trans	-64.9	-37	177.8	-178	179.4	1	0	0	112.5	H724 D725	Q699-H724 WeakPolarHBondContact CB-O 3.34Å; Q699-H724 PolarHBondContact N-O 2.78Å; Q699-D725 VanDerWaalsContact OE1-CA 3.32Å
700	H	82	Confident	73.8	Confident	36 Å²	36	67.5 Å²	67.5	17%	0.167	38%	0.378	C	S	.	.	S	Bend	trans	-111.5	-87.5	179.6	-75.6	164.8	0	0	0	111.5	N695 C698 Q712 R714 F717 C726	N695-H700 PolarHBondContact ND2-O 2.89Å; C698-H700 VanDerWaalsContact C-N 3.34Å; C698-H700 PolarHBondContact O-N 2.86Å; H700-Q712 WeakPolarHBondContact CB-O 3.46Å; H700-R714 HydrophobicContact CB-CG 4.24Å; H700-R714 PolarHBondContact ND1-N 3.39Å; H700-F717 AromaticContact CE1-CD2 3.83Å; H700-F717 AromaticContact CE1-CG 3.75Å; H700-C726 VanDerWaalsContact CG-SG 3.59Å; H700-C726 WeakPolarHBondContact ND1-CB 3.36Å; H700-C726 PolarHBondContact ND1-SG 3.22Å
701	E	78.8	Confident	73.9	Confident	100 Å²	100	66.1 Å²	66.1	47%	0.467	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.5	-172.4	-174.4	168.5	-174.1	0	0	109.7	C698 V703 C711 Q712	C698-E701 WeakPolarHBondContact CB-O 3.35Å; E701-V703 HydrophobicContact CG-CG2 4.39Å; E701-C711 CarbonylContact O-C 3.5Å; E701-C711 VanDerWaalsContact O-CA 3.29Å; E701-C711 WeakPolarHBondContact O-CA 3.39Å; E701-Q712 HydrophobicContact CB-CB 4.25Å; E701-Q712 PolarHBondContact N-O 3.49Å; E701-Q712 PolarHBondContact O-N 2.62Å
702	C	80.3	Confident	74	Confident	17 Å²	17	69.5 Å²	69.5	12%	0.115	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.7	172.8	-174.7	0	0	0	0	109.2	C691 N695 C698 Y709	C691-C702 WeakPolarHBondContact CA-SG 3.3Å; C691-C702 HydrophobicContact CB-CB 3.63Å; C691-C702 WeakPolarHBondContact CB-SG 3.17Å; C691-C702 WeakPolarHBondContact SG-CB 3.29Å; C691-C702 PolarHBondContact SG-O 2.81Å; C691-C702 CovalentContact SG-SG 2.04Å; C691-C702 PolarHBondContact SG-SG 2.85Å; N695-C702 WeakPolarHBondContact O-CB 3.42Å; N695-C702 VanDerWaalsContact OD1-CB 3.24Å; N695-C702 WeakPolarHBondContact OD1-CB 3.24Å; N695-C702 PolarHBondContact OD1-N 3.01Å; C698-C702 HydrophobicContact CB-CB 4.04Å; C698-C702 VanDerWaalsContact SG-CB 3.5Å; C702-Y709 VanDerWaalsContact SG-CD2 3.52Å
703	V	78.6	Confident	74.3	Confident	43 Å²	43	66.4 Å²	66.4	26%	0.261	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.4	176.1	179.3	0	0	0	0	108.4	C691 E701 Y709 S710 Q712	C691-V703 VanDerWaalsContact SG-C 3.51Å; E701-V703 HydrophobicContact CG-CG2 4.39Å; V703-Y709 CarbonylContact O-C 3.54Å; V703-Y709 WeakPolarHBondContact O-CA 3.32Å; V703-S710 PolarHBondContact N-O 3.04Å; V703-S710 PolarHBondContact O-N 3.31Å; V703-Q712 HydrophobicContact CB-CG 4.49Å; V703-Q712 HydrophobicContact CG2-CB 4.41Å; V703-Q712 VanDerWaalsContact CG2-CD 3.44Å; V703-Q712 HydrophobicContact CG2-CG 3.79Å
704	N	65.8	Low	74.3	Confident	52 Å²	52	67.1 Å²	67.1	28%	0.278	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.5	176.6	-166	56.8	0	0	0	109.4	D687 K688 D689 E690 C691	D687-N704 PolarHBondContact OD2-ND2 2.87Å; K688-N704 PolarHBondContact O-OD1 3.42Å; D689-N704 WeakPolarHBondContact CA-OD1 3.34Å; E690-N704 PolarHBondContact N-OD1 2.72Å; C691-N704 HydrophobicContact CB-CB 4.46Å; C691-N704 PolarHBondContact SG-N 2.61Å
705	T	64.6	Low	73.3	Confident	53 Å²	53	63.6 Å²	63.6	33%	0.325	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	166.4	-178.2	57.8	0	0	0	0	109.5	G707 S708	T705-G707 PolarHBondContact O-N 3.35Å; T705-S708 CarbonylContact C-O 3.59Å; T705-S708 VanDerWaalsContact CA-O 3.25Å; T705-S708 WeakPolarHBondContact CA-O 3.42Å; T705-S708 PolarHBondContact N-O 2.65Å; T705-S708 PolarHBondContact O-N 2.76Å; T705-S708 PolarHBondContact OG1-O 3.17Å
706	F	58.8	Low	72.3	Confident	164 Å²	164	62 Å²	62	72%	0.719	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	111.6	-178.6	-61.2	-64.2	0	0	0	111.6	F685	F685-F706 HydrophobicContact CD2-CD1 4.29Å; F685-F706 AromaticContact CE2-CD1 3.37Å; F685-F706 HydrophobicContact CE2-CD1 3.37Å; F685-F706 AromaticContact CE2-CE1 3.45Å; F685-F706 HydrophobicContact CE2-CE1 3.45Å; F685-F706 VanDerWaalsContact CE2-CE1 3.45Å; F685-F706 HydrophobicContact CE2-CG 4.41Å; F685-F706 AromaticContact CZ-CD1 3.92Å; F685-F706 HydrophobicContact CZ-CD1 3.92Å; F685-F706 AromaticContact CZ-CE1 3.65Å; F685-F706 HydrophobicContact CZ-CE1 3.65Å; F685-F706 HydrophobicContact CZ-CZ 4.37Å
707	G	60.2	Low	72	Confident	66 Å²	66	65.3 Å²	65.3	68%	0.68	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	7.2	179.3	0	0	0	0	0	115.3	D687 T705	D687-G707 VanDerWaalsContact OD1-CA 3.26Å; D687-G707 WeakPolarHBondContact OD1-CA 3.5Å; D687-G707 PolarHBondContact OD1-N 3.15Å; T705-G707 PolarHBondContact O-N 3.35Å
708	S	68.6	Low	71.6	Confident	60 Å²	60	66.7 Å²	66.7	42%	0.42	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	-178.1	-177.1	-172.5	0	0	0	0	110.4	E690 T705	E690-S708 VanDerWaalsContact OE2-C 3.28Å; T705-S708 CarbonylContact C-O 3.59Å; T705-S708 VanDerWaalsContact CA-O 3.25Å; T705-S708 WeakPolarHBondContact CA-O 3.42Å; T705-S708 PolarHBondContact N-O 2.65Å; T705-S708 PolarHBondContact O-N 2.76Å; T705-S708 PolarHBondContact OG1-O 3.17Å
709	Y	79.7	Confident	70.8	Confident	68 Å²	68	69.6 Å²	69.6	27%	0.267	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	167.3	166.7	64.9	-75.8	0	0	0	110.4	E690 G696 C702 V703 H724	E690-Y709 HydrophobicContact CB-CD1 3.17Å; E690-Y709 HydrophobicContact CB-CE1 3.65Å; E690-Y709 HydrophobicContact CB-CG 3.73Å; E690-Y709 HydrophobicContact CG-CD1 3.56Å; E690-Y709 HydrophobicContact CG-CE1 3.87Å; E690-Y709 WeakPolarHBondContact OE2-CD1 3.15Å; G696-Y709 WeakPolarHBondContact O-CE2 3.46Å; G696-Y709 VanDerWaalsContact O-CZ 3.28Å; G696-Y709 PolarHBondContact O-OH 3.18Å; G696-Y709 VanDerWaalsContact O-OH 3.07Å; C702-Y709 VanDerWaalsContact SG-CD2 3.52Å; V703-Y709 CarbonylContact O-C 3.54Å; V703-Y709 WeakPolarHBondContact O-CA 3.32Å; Y709-H724 AromaticContact CE2-CE1 3.97Å; Y709-H724 PolarHBondContact OH-CE1 2.99Å
710	S	80.5	Confident	70.5	Confident	48 Å²	48	68.6 Å²	68.6	34%	0.336	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.3	175.3	65.6	0	0	0	0	110.8	V703	V703-S710 PolarHBondContact N-O 3.04Å; V703-S710 PolarHBondContact O-N 3.31Å
711	C	81.6	Confident	70.1	Confident	10 Å²	10	75.9 Å²	75.9	7%	0.068	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.6	174.9	-56.3	0	0	0	0	110.6	C698 E701 L719 K723	C698-C711 WeakPolarHBondContact CA-SG 3.45Å; C698-C711 HydrophobicContact CB-CB 3.53Å; C698-C711 WeakPolarHBondContact CB-SG 3.49Å; C698-C711 WeakPolarHBondContact SG-CA 3.37Å; C698-C711 WeakPolarHBondContact SG-CB 3.29Å; C698-C711 CovalentContact SG-SG 2.01Å; C698-C711 PolarHBondContact SG-SG 2.85Å; E701-C711 CarbonylContact O-C 3.5Å; E701-C711 VanDerWaalsContact O-CA 3.29Å; E701-C711 WeakPolarHBondContact O-CA 3.39Å; C711-L719 HydrophobicContact CB-CD1 3.65Å; C711-L719 WeakPolarHBondContact O-CD1 3.46Å; C711-L719 WeakPolarHBondContact O-CD2 3.26Å; C711-K723 VanDerWaalsContact CB-O 3.28Å; C711-K723 WeakPolarHBondContact CB-O 3.25Å; C711-K723 PolarHBondContact SG-O 3.07Å
712	Q	78.9	Confident	70	Confident	92 Å²	92	74.2 Å²	74.2	43%	0.43	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.8	173	-65.1	-168.9	10.5	0	0	110	H700 E701 V703	H700-Q712 WeakPolarHBondContact CB-O 3.46Å; E701-Q712 HydrophobicContact CB-CB 4.25Å; E701-Q712 PolarHBondContact N-O 3.49Å; E701-Q712 PolarHBondContact O-N 2.62Å; V703-Q712 HydrophobicContact CB-CG 4.49Å; V703-Q712 HydrophobicContact CG2-CB 4.41Å; V703-Q712 VanDerWaalsContact CG2-CD 3.44Å; V703-Q712 HydrophobicContact CG2-CG 3.79Å
713	C	75.1	Confident	69.9	Low	29 Å²	29	80.7 Å²	80.7	20%	0.196	43%	0.431	C	S	.	.			trans	-110.8	139	-177.7	-63.8	0	0	0	0	110.5	F717 L719 C726	C713-F717 HydrophobicContact CB-CB 3.87Å; C713-F717 VanDerWaalsContact CB-O 3.22Å; C713-F717 WeakPolarHBondContact CB-O 3.4Å; C713-L719 VanDerWaalsContact SG-CA 3.53Å; C713-L719 PolarHBondContact SG-N 2.76Å; C713-C726 WeakPolarHBondContact CA-SG 3.36Å; C713-C726 HydrophobicContact CB-CB 3.8Å; C713-C726 WeakPolarHBondContact CB-SG 3.4Å; C713-C726 WeakPolarHBondContact SG-CA 3.43Å; C713-C726 WeakPolarHBondContact SG-CB 3.29Å; C713-C726 CovalentContact SG-SG 2.03Å; C713-C726 PolarHBondContact SG-SG 2.74Å
714	R	63.6	Low	69.8	Low	168 Å²	168	81.7 Å²	81.7	63%	0.634	43%	0.432	S	S	*	.			trans	-59.6	155	172.7	-64	177.6	-175.8	177	2.4	111.3	H700 G716 F717	H700-R714 HydrophobicContact CB-CG 4.24Å; H700-R714 PolarHBondContact ND1-N 3.39Å; R714-G716 PolarHBondContact O-N 3.5Å; R714-F717 PolarHBondContact O-N 3.5Å
715	S	52.6	Low	70.4	Confident	100 Å²	100	82.4 Å²	82.4	70%	0.699	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	125.3	-180	-57.9	0	0	0	0	112.5
716	G	57.2	Low	70.8	Confident	27 Å²	27	80.5 Å²	80.5	28%	0.278	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	0.4	-175.6	0	0	0	0	0	115	R714 A729	R714-G716 PolarHBondContact O-N 3.5Å; G716-A729 PolarHBondContact O-N 2.55Å
717	F	67.5	Low	71.3	Confident	79 Å²	79	79.1 Å²	79.1	35%	0.346	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.7	176.6	-61.3	-99.8	0	0	0	111.7	H700 C713 R714 C726 K727 E728	H700-F717 AromaticContact CE1-CD2 3.83Å; H700-F717 AromaticContact CE1-CG 3.75Å; C713-F717 HydrophobicContact CB-CB 3.87Å; C713-F717 VanDerWaalsContact CB-O 3.22Å; C713-F717 WeakPolarHBondContact CB-O 3.4Å; R714-F717 PolarHBondContact O-N 3.5Å; F717-C726 HydrophobicContact CB-CB 3.93Å; F717-C726 HydrophobicContact CD1-CB 4.46Å; F717-C726 HydrophobicContact CG-CB 4.46Å; F717-K727 CarbonylContact C-O 3.57Å; F717-K727 WeakPolarHBondContact CA-O 3Å; F717-K727 WeakPolarHBondContact CB-O 3.41Å; F717-E728 HydrophobicContact CE1-CG 4.41Å
718	V	67	Low	71.2	Confident	74 Å²	74	81.8 Å²	81.8	45%	0.448	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.2	171	-70.9	0	0	0	0	110.4	H720 C726 K727 A729	V718-H720 PolarHBondContact O-N 3.13Å; V718-C726 CarbonylContact O-C 3.52Å; V718-C726 WeakPolarHBondContact O-CA 3.3Å; V718-K727 HydrophobicContact CG2-CB 4.3Å; V718-K727 PolarHBondContact N-O 3.11Å; V718-K727 PolarHBondContact O-N 3.34Å; V718-A729 HydrophobicContact CB-CB 4.31Å; V718-A729 HydrophobicContact CG1-CB 3.5Å; V718-A729 VanDerWaalsContact CG1-CB 3.5Å; V718-A729 HydrophobicContact CG2-CB 4.44Å
719	L	66.5	Low	70.4	Confident	71 Å²	71	80 Å²	80	37%	0.372	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.2	177.2	-164.6	70	0	0	0	110	C711 C713 K723 D725	C711-L719 HydrophobicContact CB-CD1 3.65Å; C711-L719 WeakPolarHBondContact O-CD1 3.46Å; C711-L719 WeakPolarHBondContact O-CD2 3.26Å; C713-L719 VanDerWaalsContact SG-CA 3.53Å; C713-L719 PolarHBondContact SG-N 2.76Å; L719-K723 HydrophobicContact CD2-CB 4.22Å; L719-D725 WeakPolarHBondContact CD1-O 3.39Å
720	H	72	Confident	69.6	Low	83 Å²	83	79.4 Å²	79.4	38%	0.384	42%	0.417	S	S	.	.			trans	-64.8	159.9	177.1	-175.3	-99.7	0	0	0	110.4	V718 N722 K723 D725	V718-H720 PolarHBondContact O-N 3.13Å; H720-N722 PolarHBondContact ND1-N 2.71Å; H720-N722 PolarHBondContact ND1-ND2 3.18Å; H720-N722 PolarHBondContact ND1-OD1 2.9Å; H720-N722 VanDerWaalsContact ND1-OD1 3.11Å; H720-N722 PolarHBondContact O-N 3.18Å; H720-K723 PolarHBondContact O-N 3.08Å; H720-D725 HydrophobicContact CB-CB 3.84Å; H720-D725 WeakPolarHBondContact CB-O 3.46Å; H720-D725 PolarHBondContact N-O 2.94Å
721	E	74.9	Confident	69.3	Low	189 Å²	189	78.3 Å²	78.3	88%	0.883	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.6	-176	-68.6	-167.2	167.3	0	0	113.7	K723	E721-K723 PolarHBondContact O-N 3.38Å
722	N	76.4	Confident	69.3	Low	66 Å²	66	83.4 Å²	83.4	35%	0.353	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1	174.1	69.2	-1.4	0	0	0	113.8	H720 H724 D725	H720-N722 PolarHBondContact ND1-N 2.71Å; H720-N722 PolarHBondContact ND1-ND2 3.18Å; H720-N722 PolarHBondContact ND1-OD1 2.9Å; H720-N722 VanDerWaalsContact ND1-OD1 3.11Å; H720-N722 PolarHBondContact O-N 3.18Å; N722-H724 PolarHBondContact O-CD2 2.95Å; N722-H724 VanDerWaalsContact O-CD2 3.24Å; N722-H724 PolarHBondContact O-N 2.7Å; N722-H724 PolarHBondContact OD1-N 2.97Å; N722-D725 VanDerWaalsContact ND2-CG 3.31Å; N722-D725 PolarHBondContact ND2-OD2 2.89Å; N722-D725 PolarHBondContact OD1-N 3.47Å
723	K	77.1	Confident	69.5	Low	153 Å²	153	82.1 Å²	82.1	67%	0.665	43%	0.429	S	S	*	.	S	Bend	trans	60.5	11.3	178.9	-56.5	-177	179	-178.6	0	115.4	C711 L719 H720 E721	C711-K723 VanDerWaalsContact CB-O 3.28Å; C711-K723 WeakPolarHBondContact CB-O 3.25Å; C711-K723 PolarHBondContact SG-O 3.07Å; L719-K723 HydrophobicContact CD2-CB 4.22Å; H720-K723 PolarHBondContact O-N 3.08Å; E721-K723 PolarHBondContact O-N 3.38Å
724	H	77.3	Confident	70	Confident	63 Å²	63	86.3 Å²	86.3	29%	0.292	45%	0.454	S	S	.	.	S	Bend	trans	-122.2	-40.4	-178.4	-80.3	-82.1	0	0	0	112.3	G696 G697 Q699 Y709 N722	G696-H724 PolarHBondContact O-CE1 3.2Å; G696-H724 VanDerWaalsContact O-CE1 3.3Å; G697-H724 PolarHBondContact O-ND1 3.4Å; Q699-H724 WeakPolarHBondContact CB-O 3.34Å; Q699-H724 PolarHBondContact N-O 2.78Å; Y709-H724 AromaticContact CE2-CE1 3.97Å; Y709-H724 PolarHBondContact OH-CE1 2.99Å; N722-H724 PolarHBondContact O-CD2 2.95Å; N722-H724 VanDerWaalsContact O-CD2 3.24Å; N722-H724 PolarHBondContact O-N 2.7Å; N722-H724 PolarHBondContact OD1-N 2.97Å
725	D	77.6	Confident	71.1	Confident	68 Å²	68	79.5 Å²	79.5	36%	0.364	43%	0.431	S	S	.	.	S	Bend	trans	-91.9	162.7	-177.7	-62.9	-25	0	0	0	111.8	Q699 L719 H720 N722	Q699-D725 VanDerWaalsContact OE1-CA 3.32Å; L719-D725 WeakPolarHBondContact CD1-O 3.39Å; H720-D725 HydrophobicContact CB-CB 3.84Å; H720-D725 WeakPolarHBondContact CB-O 3.46Å; H720-D725 PolarHBondContact N-O 2.94Å; N722-D725 VanDerWaalsContact ND2-CG 3.31Å; N722-D725 PolarHBondContact ND2-OD2 2.89Å; N722-D725 PolarHBondContact OD1-N 3.47Å
726	C	72.8	Confident	72.6	Confident	12 Å²	12	80.1 Å²	80.1	8%	0.081	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.3	-178.6	-69.6	0	0	0	0	109.7	H700 C713 F717 V718	H700-C726 VanDerWaalsContact CG-SG 3.59Å; H700-C726 WeakPolarHBondContact ND1-CB 3.36Å; H700-C726 PolarHBondContact ND1-SG 3.22Å; C713-C726 WeakPolarHBondContact CA-SG 3.36Å; C713-C726 HydrophobicContact CB-CB 3.8Å; C713-C726 WeakPolarHBondContact CB-SG 3.4Å; C713-C726 WeakPolarHBondContact SG-CA 3.43Å; C713-C726 WeakPolarHBondContact SG-CB 3.29Å; C713-C726 CovalentContact SG-SG 2.03Å; C713-C726 PolarHBondContact SG-SG 2.74Å; F717-C726 HydrophobicContact CB-CB 3.93Å; F717-C726 HydrophobicContact CD1-CB 4.46Å; F717-C726 HydrophobicContact CG-CB 4.46Å; V718-C726 CarbonylContact O-C 3.52Å; V718-C726 WeakPolarHBondContact O-CA 3.3Å
727	K	69.9	Low	73.9	Confident	135 Å²	135	81.8 Å²	81.8	59%	0.587	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	145.8	176.7	-180	179.2	177.8	-179.1	0	109.8	F717 V718 A729	F717-K727 CarbonylContact C-O 3.57Å; F717-K727 WeakPolarHBondContact CA-O 3Å; F717-K727 WeakPolarHBondContact CB-O 3.41Å; V718-K727 HydrophobicContact CG2-CB 4.3Å; V718-K727 PolarHBondContact N-O 3.11Å; V718-K727 PolarHBondContact O-N 3.34Å; K727-A729 PolarHBondContact O-N 2.69Å; K727-A729 VanDerWaalsContact O-N 3.13Å
728	E	57.4	Low	74.6	Confident	122 Å²	122	79.8 Å²	79.8	57%	0.57	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	121.8	175	-134.9	-174.3	153.8	0	0	110.5	F717 K755	F717-E728 HydrophobicContact CE1-CG 4.41Å; E728-K755 IonicContact OE1-NZ 3.66Å; E728-K755 PolarHBondContact OE1-NZ 3.12Å
729	A	53.5	Low	75.7	Confident	22 Å²	22	79.7 Å²	79.7	18%	0.182	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-75.7	145.3	179.6	0	0	0	0	0	109.9	G716 V718 K727	G716-A729 PolarHBondContact O-N 2.55Å; V718-A729 HydrophobicContact CB-CB 4.31Å; V718-A729 HydrophobicContact CG1-CB 3.5Å; V718-A729 VanDerWaalsContact CG1-CB 3.5Å; V718-A729 HydrophobicContact CG2-CB 4.44Å; K727-A729 PolarHBondContact O-N 2.69Å; K727-A729 VanDerWaalsContact O-N 3.13Å
730	G	61.9	Low	76.8	Confident	57 Å²	57	77.7 Å²	77.7	59%	0.588	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-55.2	145.1	159.9	0	0	0	0	0	109.8	D732	G730-D732 PolarHBondContact O-N 2.83Å
731	C	74.4	Confident	77.6	Confident	25 Å²	25	77.6 Å²	77.6	17%	0.169	43%	0.432	C	S	.	.	S	Bend	trans	-87.7	25.2	-173.1	-145.3	0	0	0	0	113.4	C757 T758	C731-C757 HydrophobicContact CB-CB 3.7Å; C731-C757 WeakPolarHBondContact CB-SG 3.34Å; C731-C757 CarbonylContact O-C 3.55Å; C731-C757 WeakPolarHBondContact O-CA 3.29Å; C731-C757 WeakPolarHBondContact O-CB 3.37Å; C731-C757 WeakPolarHBondContact SG-CB 3.34Å; C731-C757 CovalentContact SG-SG 2.01Å; C731-C757 PolarHBondContact SG-SG 2.74Å; C731-T758 PolarHBondContact O-N 3.45Å
732	D	81.3	Confident	78.4	Confident	116 Å²	116	69 Å²	69	62%	0.62	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.3	178.9	-63.1	-46	0	0	0	109	G730 T758	G730-D732 PolarHBondContact O-N 2.83Å; D732-T758 PolarHBondContact OD1-OG1 3.08Å
733	H	83	Confident	79.1	Confident	66 Å²	66	67.6 Å²	67.6	31%	0.306	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.8	-173.7	-59.5	-73	0	0	0	110.4	T758 W759 A760	H733-T758 PolarHBondContact N-O 3.02Å; H733-W759 VanDerWaalsContact CB-CD1 3.45Å; H733-W759 HydrophobicContact CB-CG 4.06Å; H733-W759 AromaticContact CD2-CD1 3.76Å; H733-W759 AromaticContact CD2-CE2 3.6Å; H733-W759 AromaticContact CD2-NE1 3.26Å; H733-W759 PolarHBondContact CD2-NE1 3.32Å; H733-W759 VanDerWaalsContact CD2-NE1 3.26Å; H733-W759 AromaticContact CG-CD1 3.81Å; H733-W759 AromaticContact CG-NE1 3.68Å; H733-W759 CarbonylContact O-C 3.5Å; H733-W759 VanDerWaalsContact O-CA 3.31Å; H733-W759 WeakPolarHBondContact O-CA 3.15Å; H733-A760 PolarHBondContact O-N 3.33Å
734	T	86.1	Confident	79.7	Confident	117 Å²	117	60.3 Å²	60.3	72%	0.718	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.2	168.2	53.8	0	0	0	0	109.3	A760	T734-A760 WeakPolarHBondContact CA-O 3.35Å; T734-A760 HydrophobicContact CG2-CB 4.4Å
735	V	86.6	Confident	80.1	Confident	24 Å²	24	58.3 Å²	58.3	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.5	-172.8	178.1	0	0	0	0	108.7	I742 A760 L761 T762 H840	V735-I742 HydrophobicContact CG2-CG2 4.42Å; V735-A760 PolarHBondContact N-O 3.01Å; V735-L761 HydrophobicContact CB-CG 3.93Å; V735-L761 HydrophobicContact CG1-CG 4.17Å; V735-L761 CarbonylContact O-C 3.54Å; V735-L761 VanDerWaalsContact O-CA 3.28Å; V735-L761 WeakPolarHBondContact O-CA 3.13Å; V735-T762 PolarHBondContact O-N 3.04Å; V735-H840 VanDerWaalsContact CG1-CE1 3.43Å; V735-H840 WeakPolarHBondContact CG1-CE1 3.38Å; V735-H840 WeakPolarHBondContact CG1-NE2 3.34Å
736	N	84.6	Confident	80.4	Confident	114 Å²	114	58.9 Å²	58.9	61%	0.61	35%	0.35	S	S	*	.			trans	-110.8	3.2	-179.4	-63.1	-14.5	0	0	0	112.9	T762	N736-T762 WeakPolarHBondContact CA-O 3.5Å
737	S	84.4	Confident	80.8	Confident	61 Å²	61	60.5 Å²	60.5	43%	0.427	36%	0.355	S	S	.	.			trans	-74.7	143.3	179.3	68.6	0	0	0	0	111	S739 H840	S737-S739 VanDerWaalsContact C-N 3.29Å; S737-S739 WeakPolarHBondContact CB-O 3.01Å; S737-S739 PolarHBondContact O-N 2.67Å; S737-S739 PolarHBondContact OG-O 3.37Å; S737-H840 PolarHBondContact O-NE2 3.16Å; S737-H840 VanDerWaalsContact O-NE2 3.08Å; S737-H840 PolarHBondContact OG-CE1 2.81Å; S737-H840 PolarHBondContact OG-NE2 3.49Å
738	V	82.6	Confident	81.4	Confident	37 Å²	37	58.1 Å²	58.1	22%	0.224	35%	0.353	C	S	.	.	S	Bend	trans	-64.6	-34.5	-179.1	176.5	0	0	0	0	112	T841 A842 A861 Q862	V738-T841 CarbonylContact O-C 3.53Å; V738-A842 HydrophobicContact CG1-CB 3.63Å; V738-A842 WeakPolarHBondContact O-CB 3.35Å; V738-A842 PolarHBondContact O-N 3.44Å; V738-A861 HydrophobicContact CB-CB 4.38Å; V738-A861 HydrophobicContact CG1-CB 3.41Å; V738-A861 VanDerWaalsContact CG1-CB 3.41Å; V738-A861 HydrophobicContact CG2-CB 4.06Å; V738-Q862 HydrophobicContact CB-CG 4.14Å; V738-Q862 HydrophobicContact CG1-CG 4.13Å; V738-Q862 HydrophobicContact CG2-CG 3.8Å
739	S	89.9	Confident	82.6	Confident	72 Å²	72	58.1 Å²	58.1	50%	0.503	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.5	169.4	60.4	0	0	0	0	110.2	S737 H840	S737-S739 VanDerWaalsContact C-N 3.29Å; S737-S739 WeakPolarHBondContact CB-O 3.01Å; S737-S739 PolarHBondContact O-N 2.67Å; S737-S739 PolarHBondContact OG-O 3.37Å; S739-H840 CarbonylContact C-O 3.53Å; S739-H840 WeakPolarHBondContact CA-O 3.41Å
740	G	88.6	Confident	84.1	Confident	29 Å²	29	63.7 Å²	63.7	30%	0.299	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-167.6	176.2	0	0	0	0	0	112.4	S839 H840	G740-S839 CarbonylContact O-C 3.28Å; G740-S839 WeakPolarHBondContact O-CA 3.49Å; G740-H840 VanDerWaalsContact C-ND1 3.35Å; G740-H840 WeakPolarHBondContact CA-CE1 3.3Å; G740-H840 PolarHBondContact N-CE1 2.81Å; G740-H840 PolarHBondContact N-O 3.19Å; G740-H840 PolarHBondContact O-N 2.7Å; G740-H840 PolarHBondContact O-ND1 2.87Å
741	V	89.7	Confident	85.4	Confident	82 Å²	82	61.1 Å²	61.1	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.8	179.2	-177.9	0	0	0	0	108.6	T743 E837 A838	V741-T743 HydrophobicContact CG1-CG2 4.13Å; V741-E837 HydrophobicContact CG1-CG 3.35Å; V741-A838 CarbonylContact C-O 3.55Å; V741-A838 WeakPolarHBondContact CA-O 3.18Å
742	I	91.2	Very high	85.9	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.4	170	60.2	171.6	0	0	0	109	V735 W759 I823 F836 A838	V735-I742 HydrophobicContact CG2-CG2 4.42Å; I742-W759 HydrophobicContact CG2-CG 4.5Å; I742-I823 HydrophobicContact CD1-CD1 3.44Å; I742-I823 VanDerWaalsContact CD1-CD1 3.44Å; I742-F836 HydrophobicContact CD1-CE2 4.34Å; I742-F836 HydrophobicContact CG1-CE2 4.23Å; I742-A838 HydrophobicContact CD1-CB 4.35Å; I742-A838 HydrophobicContact CG1-CB 3.9Å; I742-A838 WeakPolarHBondContact CG1-O 3.37Å; I742-A838 PolarHBondContact N-O 3.19Å; I742-A838 PolarHBondContact O-N 2.89Å
743	T	91.5	Very high	86.2	Confident	37 Å²	37	58.3 Å²	58.3	23%	0.227	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.3	-177.3	60.7	0	0	0	0	111.1	V741 W747 W759 F836 E837	V741-T743 HydrophobicContact CG1-CG2 4.13Å; T743-W747 HydrophobicContact CG2-CB 4.24Å; T743-W747 HydrophobicContact CG2-CG 3.99Å; T743-W759 WeakPolarHBondContact O-CZ2 3.3Å; T743-F836 CarbonylContact C-O 3.27Å; T743-F836 VanDerWaalsContact CA-O 3.28Å; T743-F836 WeakPolarHBondContact CA-O 3.48Å; T743-E837 HydrophobicContact CG2-CB 4.38Å; T743-E837 HydrophobicContact CG2-CG 4.07Å
744	S	89.9	Confident	86.4	Confident	1 Å²	1	62 Å²	62	1%	0.007	35%	0.354	C	S	.	.			trans	-61.2	155.6	164.6	53.6	0	0	0	0	110.9	N746 W747 K834 G835 F836	S744-N746 PolarHBondContact O-N 3.11Å; S744-W747 VanDerWaalsContact O-CB 3.31Å; S744-W747 WeakPolarHBondContact O-CB 3.29Å; S744-W747 PolarHBondContact O-N 2.71Å; S744-K834 PolarHBondContact OG-O 3.11Å; S744-G835 WeakPolarHBondContact OG-CA 3.4Å; S744-F836 PolarHBondContact N-O 2.99Å; S744-F836 PolarHBondContact OG-N 2.84Å; S744-F836 PolarHBondContact OG-O 2.01Å
745	P	84.9	Confident	86.3	Confident	21 Å²	21	59.7 Å²	59.7	14%	0.136	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	142.3	174.1	-18.6	30	0	0	0	110.7	W747 Y751 P752 C757	P745-W747 PolarHBondContact O-N 3.23Å; P745-Y751 WeakPolarHBondContact O-CA 3.32Å; P745-P752 HydrophobicContact CB-CG 4.07Å; P745-C757 WeakPolarHBondContact CG-SG 3.02Å
746	N	84.4	Confident	86.4	Confident	80 Å²	80	60.8 Å²	60.8	43%	0.428	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	3.6	-176.2	-56.6	-18.1	0	0	0	116.6	S744 D749 K750	S744-N746 PolarHBondContact O-N 3.11Å; N746-D749 CarbonylContact C-O 3.56Å; N746-D749 HydrophobicContact CB-CB 4.39Å; N746-D749 CarbonylContact O-C 3.2Å; N746-D749 VanDerWaalsContact O-CA 3.26Å; N746-D749 WeakPolarHBondContact O-CA 3.49Å; N746-D749 VanDerWaalsContact O-CB 3.23Å; N746-D749 WeakPolarHBondContact O-CB 3.41Å; N746-D749 PolarHBondContact O-N 2.94Å; N746-K750 WeakPolarHBondContact CB-O 3.35Å; N746-K750 PolarHBondContact ND2-O 3.19Å
747	W	81.4	Confident	86.6	Confident	46 Å²	46	55.3 Å²	55.3	17%	0.174	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	134.3	176.9	-179.1	-98.3	0	0	0	112.3	T743 S744 P745 E775 K834 E837	T743-W747 HydrophobicContact CG2-CB 4.24Å; T743-W747 HydrophobicContact CG2-CG 3.99Å; S744-W747 VanDerWaalsContact O-CB 3.31Å; S744-W747 WeakPolarHBondContact O-CB 3.29Å; S744-W747 PolarHBondContact O-N 2.71Å; P745-W747 PolarHBondContact O-N 3.23Å; W747-E775 HydrophobicContact CH2-CB 3.71Å; W747-E775 HydrophobicContact CH2-CG 3.77Å; W747-E775 HydrophobicContact CZ2-CB 4.08Å; W747-E775 HydrophobicContact CZ2-CG 4.49Å; W747-K834 HydrophobicContact CE3-CB 4.44Å; W747-K834 HydrophobicContact CZ3-CB 3.8Å; W747-E837 HydrophobicContact CD2-CB 4.31Å; W747-E837 HydrophobicContact CH2-CB 4.45Å; W747-E837 HydrophobicContact CZ2-CB 3.73Å; W747-E837 PolarHBondContact NE1-OE1 2.79Å
748	P	82.4	Confident	87	Confident	85 Å²	85	53.5 Å²	53.5	55%	0.552	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87	2.3	5.4	36.3	-37.2	0	0	0	115.2
749	D	83.1	Confident	87.5	Confident	121 Å²	121	52.2 Å²	52.2	65%	0.647	29%	0.294	S	S	*	.	S	Bend	trans	-73.3	170.4	172.8	-65	-46.8	0	0	0	111.5	N746 Y751	N746-D749 CarbonylContact C-O 3.56Å; N746-D749 HydrophobicContact CB-CB 4.39Å; N746-D749 CarbonylContact O-C 3.2Å; N746-D749 VanDerWaalsContact O-CA 3.26Å; N746-D749 WeakPolarHBondContact O-CA 3.49Å; N746-D749 VanDerWaalsContact O-CB 3.23Å; N746-D749 WeakPolarHBondContact O-CB 3.41Å; N746-D749 PolarHBondContact O-N 2.94Å; D749-Y751 PolarHBondContact O-N 3.01Å
750	K	84.7	Confident	87.6	Confident	140 Å²	140	50 Å²	50	61%	0.609	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-63.2	132.7	-175.3	-67	178.7	177.1	-176.3	0	111.9	N746 Q832 K833	N746-K750 WeakPolarHBondContact CB-O 3.35Å; N746-K750 PolarHBondContact ND2-O 3.19Å; K750-Q832 HydrophobicContact CB-CB 4.1Å; K750-Q832 WeakPolarHBondContact CD-O 3.26Å; K750-K833 WeakPolarHBondContact CA-O 3.46Å
751	Y	87.9	Confident	87.8	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.1	149.7	174.3	56.7	-100	0	0	0	110.9	P745 D749 M778 E779 D787 F825 V831 Q832 K833 G835	P745-Y751 WeakPolarHBondContact O-CA 3.32Å; D749-Y751 PolarHBondContact O-N 3.01Å; Y751-M778 HydrophobicContact CE1-CG 4.32Å; Y751-E779 PolarHBondContact OH-N 2.81Å; Y751-D787 HydrophobicContact CE2-CB 4.39Å; Y751-D787 WeakPolarHBondContact CE2-OD2 3.23Å; Y751-D787 PolarHBondContact OH-OD2 3Å; Y751-F825 HydrophobicContact CD1-CZ 4.13Å; Y751-F825 HydrophobicContact CD2-CE1 4.33Å; Y751-F825 AromaticContact CD2-CZ 3.7Å; Y751-F825 HydrophobicContact CD2-CZ 3.7Å; Y751-F825 HydrophobicContact CE1-CZ 4.44Å; Y751-F825 HydrophobicContact CE2-CZ 4.07Å; Y751-F825 HydrophobicContact CG-CE1 4.36Å; Y751-F825 AromaticContact CG-CZ 3.74Å; Y751-F825 HydrophobicContact CG-CZ 3.74Å; Y751-V831 PolarHBondContact OH-O 3.37Å; Y751-Q832 HydrophobicContact CD2-CB 4.19Å; Y751-Q832 HydrophobicContact CD2-CG 4.05Å; Y751-Q832 HydrophobicContact CE2-CB 4.08Å; Y751-Q832 HydrophobicContact CE2-CG 4.05Å; Y751-Q832 WeakPolarHBondContact O-CB 3.27Å; Y751-Q832 WeakPolarHBondContact O-CG 3.44Å; Y751-K833 WeakPolarHBondContact CD1-O 3.35Å; Y751-K833 HydrophobicContact CE1-CB 3.83Å; Y751-K833 VanDerWaalsContact CE1-N 3.34Å; Y751-K833 VanDerWaalsContact CE1-O 3.3Å; Y751-K833 WeakPolarHBondContact CE1-O 3.24Å; Y751-K833 VanDerWaalsContact CZ-N 3.35Å; Y751-K833 PolarHBondContact N-O 3.27Å; Y751-K833 VanDerWaalsContact N-O 3.13Å; Y751-K833 PolarHBondContact OH-N 3.44Å; Y751-G835 VanDerWaalsContact CD1-CA 3.41Å
752	P	86.1	Confident	87.9	Confident	31 Å²	31	47.1 Å²	47.1	20%	0.201	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-70.5	150.3	177.7	29.2	-37.8	0	0	0	113	P745 K755 S827	P745-P752 HydrophobicContact CB-CG 4.07Å; P752-K755 HydrophobicContact CB-CG 3.86Å; P752-K755 HydrophobicContact CG-CB 4.24Å; P752-K755 HydrophobicContact CG-CD 4.34Å; P752-K755 HydrophobicContact CG-CG 3.35Å; P752-S827 PolarHBondContact O-OG 2.79Å
753	S	87	Confident	87.8	Confident	51 Å²	51	47.4 Å²	47.4	36%	0.357	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	152.9	171.3	64.1	0	0	0	0	112.2	K755 D828 Q832	S753-K755 VanDerWaalsContact C-N 3.28Å; S753-K755 PolarHBondContact O-N 3.15Å; S753-D828 CarbonylContact C-O 3.56Å; S753-D828 WeakPolarHBondContact CA-O 3.48Å; S753-D828 WeakPolarHBondContact CB-O 3.3Å; S753-Q832 VanDerWaalsContact CB-NE2 3.27Å
754	K	86.6	Confident	87.5	Confident	145 Å²	145	47.1 Å²	47.1	63%	0.63	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	30.2	174.1	-65.2	177.6	167.4	151.3	0	114.9	S827 D828 N829	K754-S827 VanDerWaalsContact CA-O 3.23Å; K754-S827 WeakPolarHBondContact CA-O 3.41Å; K754-S827 PolarHBondContact N-O 2.9Å; K754-D828 PolarHBondContact N-O 3.29Å; K754-N829 WeakPolarHBondContact CE-OD1 3.27Å; K754-N829 HydrophobicContact CG-CB 4.41Å; K754-N829 PolarHBondContact NZ-OD1 3.31Å
755	K	85.1	Confident	87.1	Confident	67 Å²	67	50 Å²	50	29%	0.291	28%	0.275	S	S	.	.			trans	-99.4	141.4	173.2	-67	-58.7	-171.9	156.2	0	111.4	E728 P752 S753 S827	E728-K755 IonicContact OE1-NZ 3.66Å; E728-K755 PolarHBondContact OE1-NZ 3.12Å; P752-K755 HydrophobicContact CB-CG 3.86Å; P752-K755 HydrophobicContact CG-CB 4.24Å; P752-K755 HydrophobicContact CG-CD 4.34Å; P752-K755 HydrophobicContact CG-CG 3.35Å; S753-K755 VanDerWaalsContact C-N 3.28Å; S753-K755 PolarHBondContact O-N 3.15Å; K755-S827 PolarHBondContact N-OG 2.83Å; K755-S827 PolarHBondContact O-N 2.77Å; K755-S827 PolarHBondContact O-OG 2.95Å
756	A	88.3	Confident	86.8	Confident	47 Å²	47	49.4 Å²	49.4	39%	0.388	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.1	164.4	0	0	0	0	0	107.4	F825 F826	A756-F825 CarbonylContact C-O 3.6Å; A756-F825 VanDerWaalsContact CA-O 3.31Å; A756-F825 WeakPolarHBondContact CA-O 3.4Å; A756-F826 HydrophobicContact CB-CD2 4.37Å
757	C	89.6	Confident	87	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.5	-177.3	-59.6	0	0	0	0	109.9	C731 P745 W759 R824 F825	C731-C757 HydrophobicContact CB-CB 3.7Å; C731-C757 WeakPolarHBondContact CB-SG 3.34Å; C731-C757 CarbonylContact O-C 3.55Å; C731-C757 WeakPolarHBondContact O-CA 3.29Å; C731-C757 WeakPolarHBondContact O-CB 3.37Å; C731-C757 WeakPolarHBondContact SG-CB 3.34Å; C731-C757 CovalentContact SG-SG 2.01Å; C731-C757 PolarHBondContact SG-SG 2.74Å; P745-C757 WeakPolarHBondContact CG-SG 3.02Å; C757-W759 HydrophobicContact CB-CH2 3.43Å; C757-W759 VanDerWaalsContact CB-CH2 3.43Å; C757-W759 HydrophobicContact CB-CZ2 4.14Å; C757-W759 HydrophobicContact CB-CZ3 3.75Å; C757-R824 CarbonylContact O-C 3.42Å; C757-R824 WeakPolarHBondContact O-CA 2.96Å; C757-F825 HydrophobicContact CB-CB 4.26Å; C757-F825 HydrophobicContact CB-CD1 4.25Å; C757-F825 PolarHBondContact N-O 2.79Å; C757-F825 PolarHBondContact O-N 2.8Å
758	T	91.4	Very high	87.4	Confident	23 Å²	23	46.7 Å²	46.7	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145	-179.1	72.9	0	0	0	0	111.4	C731 D732 H733 F822 I823 R824	C731-T758 PolarHBondContact O-N 3.45Å; D732-T758 PolarHBondContact OD1-OG1 3.08Å; H733-T758 PolarHBondContact N-O 3.02Å; T758-F822 HydrophobicContact CG2-CE1 4.31Å; T758-F822 HydrophobicContact CG2-CE2 4.49Å; T758-F822 HydrophobicContact CG2-CZ 3.67Å; T758-I823 CarbonylContact C-O 3.41Å; T758-I823 VanDerWaalsContact CA-O 3.24Å; T758-I823 WeakPolarHBondContact CA-O 3.22Å; T758-R824 HydrophobicContact CG2-CG 4.24Å
759	W	93.7	Very high	88	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.038	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.1	170.4	-59.5	-103.2	0	0	0	108.4	H733 I742 T743 C757 L761 F822 I823 F825 F836	H733-W759 VanDerWaalsContact CB-CD1 3.45Å; H733-W759 HydrophobicContact CB-CG 4.06Å; H733-W759 AromaticContact CD2-CD1 3.76Å; H733-W759 AromaticContact CD2-CE2 3.6Å; H733-W759 AromaticContact CD2-NE1 3.26Å; H733-W759 PolarHBondContact CD2-NE1 3.32Å; H733-W759 VanDerWaalsContact CD2-NE1 3.26Å; H733-W759 AromaticContact CG-CD1 3.81Å; H733-W759 AromaticContact CG-NE1 3.68Å; H733-W759 CarbonylContact O-C 3.5Å; H733-W759 VanDerWaalsContact O-CA 3.31Å; H733-W759 WeakPolarHBondContact O-CA 3.15Å; I742-W759 HydrophobicContact CG2-CG 4.5Å; T743-W759 WeakPolarHBondContact O-CZ2 3.3Å; C757-W759 HydrophobicContact CB-CH2 3.43Å; C757-W759 VanDerWaalsContact CB-CH2 3.43Å; C757-W759 HydrophobicContact CB-CZ2 4.14Å; C757-W759 HydrophobicContact CB-CZ3 3.75Å; W759-L761 HydrophobicContact CB-CD1 3.59Å; W759-F822 WeakPolarHBondContact O-CA 3.45Å; W759-I823 HydrophobicContact CB-CB 4.26Å; W759-I823 HydrophobicContact CE3-CB 4.25Å; W759-I823 HydrophobicContact CE3-CG2 4.03Å; W759-I823 PolarHBondContact N-O 2.85Å; W759-I823 PolarHBondContact O-N 3.02Å; W759-F825 HydrophobicContact CH2-CB 3.84Å; W759-F825 HydrophobicContact CZ3-CB 3.55Å; W759-F836 HydrophobicContact CH2-CE1 4.12Å; W759-F836 AromaticContact CH2-CZ 3.56Å; W759-F836 HydrophobicContact CH2-CZ 3.56Å; W759-F836 HydrophobicContact CZ2-CZ 4.02Å; W759-F836 HydrophobicContact CZ3-CE1 4.46Å; W759-F836 AromaticContact CZ3-CZ 3.84Å; W759-F836 HydrophobicContact CZ3-CZ 3.84Å
760	A	92.3	Very high	88.4	Confident	25 Å²	25	39.8 Å²	39.8	21%	0.207	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.7	171.3	0	0	0	0	0	108.6	H733 T734 V735 F822	H733-A760 PolarHBondContact O-N 3.33Å; T734-A760 WeakPolarHBondContact CA-O 3.35Å; T734-A760 HydrophobicContact CG2-CB 4.4Å; V735-A760 PolarHBondContact N-O 3.01Å; A760-F822 HydrophobicContact CB-CD2 3.97Å; A760-F822 HydrophobicContact CB-CE2 4.31Å
761	L	93.3	Very high	88.9	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.5	178.5	-67.6	70.6	0	0	0	109.3	V735 W759 I769 I771 K820 L821 I823 H840	V735-L761 HydrophobicContact CB-CG 3.93Å; V735-L761 HydrophobicContact CG1-CG 4.17Å; V735-L761 CarbonylContact O-C 3.54Å; V735-L761 VanDerWaalsContact O-CA 3.28Å; V735-L761 WeakPolarHBondContact O-CA 3.13Å; W759-L761 HydrophobicContact CB-CD1 3.59Å; L761-I769 HydrophobicContact CB-CD1 3.82Å; L761-I769 HydrophobicContact CB-CG2 4.47Å; L761-I769 HydrophobicContact CD2-CG2 3.8Å; L761-I769 WeakPolarHBondContact O-CD1 3.5Å; L761-I771 HydrophobicContact CD2-CD1 3.68Å; L761-K820 WeakPolarHBondContact O-CA 3.25Å; L761-L821 HydrophobicContact CB-CB 4.36Å; L761-L821 PolarHBondContact N-O 3.23Å; L761-L821 PolarHBondContact O-N 3.49Å; L761-I823 HydrophobicContact CD1-CD1 3.84Å; L761-I823 HydrophobicContact CD1-CG1 4.19Å; L761-H840 HydrophobicContact CD2-CB 3.68Å
762	T	91	Very high	89.3	Confident	48 Å²	48	34.3 Å²	34.3	29%	0.294	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.2	172.1	-58.9	0	0	0	0	108.9	V735 N736 N819 K820	V735-T762 PolarHBondContact O-N 3.04Å; N736-T762 WeakPolarHBondContact CA-O 3.5Å; T762-N819 WeakPolarHBondContact CA-O 2.97Å; T762-K820 HydrophobicContact CG2-CG 4.21Å
763	T	88.8	Confident	89.7	Confident	12 Å²	12	33.7 Å²	33.7	7%	0.074	19%	0.188	C	C	.	.			trans	-118.3	177.2	174.3	-164.4	0	0	0	0	111	H767 I769 N819 A842	T763-H767 HydrophobicContact CG2-CB 4.06Å; T763-I769 HydrophobicContact CG2-CD1 4.07Å; T763-I769 HydrophobicContact CG2-CG1 3.49Å; T763-I769 VanDerWaalsContact CG2-CG1 3.49Å; T763-N819 HydrophobicContact CG2-CB 3.89Å; T763-N819 PolarHBondContact N-O 3.22Å; T763-N819 WeakPolarHBondContact O-CB 3.33Å; T763-N819 PolarHBondContact O-ND2 3.2Å; T763-A842 HydrophobicContact CG2-CB 4.5Å; T763-A842 WeakPolarHBondContact OG1-CB 3.36Å
764	T	86.3	Confident	90	Very high	32 Å²	32	34.2 Å²	34.2	20%	0.196	19%	0.187	C	C	.	.			trans	-55.1	133.2	-179.7	-55.2	0	0	0	0	110.8	G766 H767 F858 A861	T764-G766 PolarHBondContact O-N 3.29Å; T764-H767 WeakPolarHBondContact O-CB 3.33Å; T764-H767 PolarHBondContact O-N 2.76Å; T764-H767 VanDerWaalsContact O-N 3.13Å; T764-F858 HydrophobicContact CG2-CB 4.33Å; T764-F858 HydrophobicContact CG2-CD2 3.54Å; T764-F858 HydrophobicContact CG2-CE2 4.17Å; T764-F858 HydrophobicContact CG2-CG 4.16Å; T764-A861 PolarHBondContact OG1-O 3.03Å
765	P	81.9	Confident	90.3	Very high	60 Å²	60	30.8 Å²	30.8	39%	0.39	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	140.6	178	-28.4	36	0	0	0	112.8	H767	P765-H767 VanDerWaalsContact C-N 3.27Å; P765-H767 PolarHBondContact O-N 2.92Å
766	G	77.8	Confident	90.7	Very high	9 Å²	9	27.8 Å²	27.8	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-7	-176.3	0	0	0	0	0	115.3	T764 W876	T764-G766 PolarHBondContact O-N 3.29Å; G766-W876 PolarHBondContact O-NE1 2.86Å
767	H	88.4	Confident	90.9	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.014	15%	0.152	C	C	.	.			trans	-104.1	159.7	172.3	-64.1	72.8	0	0	0	111.3	T763 T764 P765 G818 N819 F858 H860 A861	T763-H767 HydrophobicContact CG2-CB 4.06Å; T764-H767 WeakPolarHBondContact O-CB 3.33Å; T764-H767 PolarHBondContact O-N 2.76Å; T764-H767 VanDerWaalsContact O-N 3.13Å; P765-H767 VanDerWaalsContact C-N 3.27Å; P765-H767 PolarHBondContact O-N 2.92Å; H767-G818 CarbonylContact O-C 3.53Å; H767-N819 WeakPolarHBondContact O-CA 3.45Å; H767-N819 VanDerWaalsContact O-CB 3.29Å; H767-N819 WeakPolarHBondContact O-CB 3.48Å; H767-N819 PolarHBondContact O-N 2.83Å; H767-F858 PolarHBondContact CE1-O 3.19Å; H767-H860 VanDerWaalsContact NE2-CA 3.26Å; H767-H860 WeakPolarHBondContact NE2-CA 2.8Å; H767-A861 PolarHBondContact NE2-N 2.92Å
768	R	90.8	Very high	91.1	Very high	67 Å²	67	27.6 Å²	27.6	25%	0.253	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	163.1	176.6	-65.1	174.5	-66	154.7	3.3	109.8	I815 S816 A842 E843 C844 G845	R768-I815 HydrophobicContact CB-CG2 3.98Å; R768-S816 WeakPolarHBondContact CB-O 3.5Å; R768-S816 WeakPolarHBondContact CD-O 3.28Å; R768-S816 WeakPolarHBondContact CG-O 3.45Å; R768-A842 CarbonylContact O-C 3.52Å; R768-A842 VanDerWaalsContact O-CA 3.32Å; R768-A842 WeakPolarHBondContact O-CA 3.39Å; R768-E843 PolarHBondContact N-O 3.44Å; R768-E843 PolarHBondContact O-N 3.34Å; R768-C844 PolarHBondContact NH2-O 2.93Å; R768-C844 VanDerWaalsContact NH2-O 3.09Å; R768-G845 PolarHBondContact NE-O 2.8Å; R768-G845 PolarHBondContact NH2-O 2.86Å
769	I	93.1	Very high	91.2	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.4	-179.3	-59.2	170	0	0	0	107.5	L761 T763 I771 I815 S816 L821	L761-I769 HydrophobicContact CB-CD1 3.82Å; L761-I769 HydrophobicContact CB-CG2 4.47Å; L761-I769 HydrophobicContact CD2-CG2 3.8Å; L761-I769 WeakPolarHBondContact O-CD1 3.5Å; T763-I769 HydrophobicContact CG2-CD1 4.07Å; T763-I769 HydrophobicContact CG2-CG1 3.49Å; T763-I769 VanDerWaalsContact CG2-CG1 3.49Å; I769-I771 HydrophobicContact CG2-CD1 4.26Å; I769-I815 WeakPolarHBondContact O-CA 3.03Å; I769-S816 PolarHBondContact N-OG 3.13Å; I769-S816 PolarHBondContact O-N 2.77Å; I769-S816 PolarHBondContact O-OG 2.94Å; I769-L821 HydrophobicContact CB-CB 4.17Å; I769-L821 HydrophobicContact CD1-CB 3.9Å; I769-L821 HydrophobicContact CG2-CB 4.22Å; I769-L821 HydrophobicContact CG2-CD2 3.97Å
770	K	93.6	Very high	90.9	Very high	57 Å²	57	31 Å²	31	25%	0.248	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.2	173.4	176.2	-178.1	-179.8	-171.7	0	110.2	P813 I814 I815 H840 T841 E843	K770-P813 HydrophobicContact CG-CB 4.34Å; K770-I814 CarbonylContact C-O 3.57Å; K770-I814 VanDerWaalsContact CA-O 3.27Å; K770-I814 WeakPolarHBondContact CA-O 3.49Å; K770-I815 HydrophobicContact CB-CG1 4.13Å; K770-I815 HydrophobicContact CD-CG1 4.46Å; K770-I815 HydrophobicContact CG-CG1 4.03Å; K770-H840 CarbonylContact O-C 3.54Å; K770-H840 VanDerWaalsContact O-CA 3.27Å; K770-H840 WeakPolarHBondContact O-CA 3.18Å; K770-T841 PolarHBondContact N-O 2.7Å; K770-T841 PolarHBondContact O-N 2.88Å; K770-E843 HydrophobicContact CB-CG 3.55Å; K770-E843 HydrophobicContact CD-CG 3.65Å; K770-E843 WeakPolarHBondContact CD-OE1 3.25Å; K770-E843 HydrophobicContact CG-CG 4.31Å; K770-E843 IonicContact NZ-OE1 3.88Å; K770-E843 PolarHBondContact NZ-OE1 3.39Å
771	I	95.1	Very high	90.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.4	172.6	-59.7	-60.5	0	0	0	109.1	L761 I769 F773 P813 I814 L821 I823 A838 S839 H840	L761-I771 HydrophobicContact CD2-CD1 3.68Å; I769-I771 HydrophobicContact CG2-CD1 4.26Å; I771-F773 HydrophobicContact CG2-CD2 4.27Å; I771-F773 HydrophobicContact CG2-CE2 3.95Å; I771-F773 HydrophobicContact CG2-CZ 4.46Å; I771-P813 CarbonylContact O-C 3.52Å; I771-P813 WeakPolarHBondContact O-CA 3.47Å; I771-I814 PolarHBondContact N-O 3.15Å; I771-I814 PolarHBondContact O-N 3.46Å; I771-L821 HydrophobicContact CD1-CD2 3.96Å; I771-L821 HydrophobicContact CG1-CD2 3.3Å; I771-I823 HydrophobicContact CD1-CD1 4.01Å; I771-I823 HydrophobicContact CG1-CD1 4.07Å; I771-A838 HydrophobicContact CG2-CB 3.97Å; I771-S839 WeakPolarHBondContact CA-O 3.43Å; I771-H840 HydrophobicContact CD1-CB 3.34Å
772	A	95.3	Very high	90.5	Very high	27 Å²	27	40.9 Å²	40.9	22%	0.223	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.1	171.6	0	0	0	0	0	109.6	N774 A838 S839	A772-N774 PolarHBondContact O-N 2.93Å; A772-A838 CarbonylContact O-C 3.55Å; A772-A838 VanDerWaalsContact O-CA 3.31Å; A772-A838 WeakPolarHBondContact O-CA 3.27Å; A772-S839 PolarHBondContact N-O 3.08Å; A772-S839 PolarHBondContact O-N 3.28Å; A772-S839 PolarHBondContact O-OG 3.02Å
773	F	94.5	Very high	90.3	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.9	177.7	-74	-95	0	0	0	110.1	I771 I776 I789 I791 P811 F836 A838	I771-F773 HydrophobicContact CG2-CD2 4.27Å; I771-F773 HydrophobicContact CG2-CE2 3.95Å; I771-F773 HydrophobicContact CG2-CZ 4.46Å; F773-I776 HydrophobicContact CD1-CB 4.33Å; F773-I776 HydrophobicContact CD1-CD1 4.01Å; F773-I776 HydrophobicContact CD1-CG1 4.43Å; F773-I776 HydrophobicContact CE1-CD1 4.04Å; F773-I789 HydrophobicContact CE1-CD1 3.98Å; F773-I789 HydrophobicContact CE1-CG2 4.23Å; F773-I789 HydrophobicContact CZ-CD1 3.94Å; F773-I789 HydrophobicContact CZ-CG2 3.93Å; F773-I791 HydrophobicContact CE2-CD1 3.88Å; F773-I791 HydrophobicContact CZ-CD1 3.99Å; F773-P811 HydrophobicContact CD2-CG 3.37Å; F773-P811 HydrophobicContact CE2-CG 3.67Å; F773-P811 HydrophobicContact CG-CG 4.07Å; F773-F836 HydrophobicContact CD1-CB 4.21Å; F773-F836 HydrophobicContact CE1-CB 4.2Å; F773-F836 HydrophobicContact CE1-CD2 4.11Å; F773-F836 HydrophobicContact CE1-CG 4.23Å; F773-A838 HydrophobicContact CD1-CB 3.81Å; F773-A838 HydrophobicContact CE1-CB 4.03Å; F773-A838 HydrophobicContact CG-CB 4.13Å
774	N	92.4	Very high	90.4	Very high	62 Å²	62	46.1 Å²	46.1	33%	0.332	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-45.3	172.7	-61.5	-14.2	0	0	0	109.4	A772 K810 E837 S839	A772-N774 PolarHBondContact O-N 2.93Å; N774-K810 WeakPolarHBondContact O-CE 3.48Å; N774-K810 PolarHBondContact O-NZ 3.42Å; N774-E837 HydrophobicContact CB-CB 4.44Å; N774-E837 HydrophobicContact CB-CG 4.34Å; N774-E837 WeakPolarHBondContact CB-O 3.47Å; N774-E837 WeakPolarHBondContact CB-OE2 3.39Å; N774-E837 PolarHBondContact N-O 2.91Å; N774-E837 PolarHBondContact ND2-OE2 2.85Å; N774-S839 PolarHBondContact OD1-OG 2.88Å
775	E	92.9	Very high	90.4	Very high	73 Å²	73	47.1 Å²	47.1	34%	0.341	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.7	174.2	-166.3	170.2	160.5	0	0	110.3	W747 K834 F836 E837	W747-E775 HydrophobicContact CH2-CB 3.71Å; W747-E775 HydrophobicContact CH2-CG 3.77Å; W747-E775 HydrophobicContact CZ2-CB 4.08Å; W747-E775 HydrophobicContact CZ2-CG 4.49Å; E775-K834 IonicContact OE1-NZ 2.8Å; E775-F836 VanDerWaalsContact O-CA 3.32Å; E775-F836 WeakPolarHBondContact O-CA 3.43Å; E775-E837 PolarHBondContact N-O 2.89Å; E775-E837 VanDerWaalsContact N-O 3.12Å; E775-E837 PolarHBondContact O-N 3.23Å
776	I	93.9	Very high	90.8	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	125.7	174.2	-163.8	168.3	0	0	0	107.4	F773 M778 I789 F805 S808 K810 G835 F836	F773-I776 HydrophobicContact CD1-CB 4.33Å; F773-I776 HydrophobicContact CD1-CD1 4.01Å; F773-I776 HydrophobicContact CD1-CG1 4.43Å; F773-I776 HydrophobicContact CE1-CD1 4.04Å; I776-M778 HydrophobicContact CD1-CE 3.44Å; I776-M778 VanDerWaalsContact CD1-CE 3.44Å; I776-M778 HydrophobicContact CG1-CE 3.51Å; I776-I789 HydrophobicContact CD1-CG2 4.44Å; I776-F805 HydrophobicContact CD1-CB 4.3Å; I776-S808 VanDerWaalsContact O-CA 3.3Å; I776-S808 WeakPolarHBondContact O-CA 3.02Å; I776-K810 HydrophobicContact CG2-CB 4.43Å; I776-K810 HydrophobicContact CG2-CG 3.93Å; I776-G835 CarbonylContact C-O 3.42Å; I776-F836 HydrophobicContact CG1-CB 4.33Å
777	D	93.9	Very high	91.6	Very high	39 Å²	39	48.5 Å²	48.5	21%	0.209	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	92.9	176	179.7	32.9	0	0	0	107.9	K833 K834 G835	D777-K833 WeakPolarHBondContact O-CB 3.49Å; D777-K834 HydrophobicContact CB-CB 4.31Å; D777-G835 PolarHBondContact N-O 3.29Å; D777-G835 WeakPolarHBondContact O-CA 3.18Å; D777-G835 PolarHBondContact O-N 3.35Å
778	M	92.2	Very high	91.9	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.02	26%	0.26	C	S	.	.			trans	-121.5	167.8	177	-70.1	-174.7	-82.2	0	0	110.7	Y751 I776 A780 I789 F805 G807 F825	Y751-M778 HydrophobicContact CE1-CG 4.32Å; I776-M778 HydrophobicContact CD1-CE 3.44Å; I776-M778 VanDerWaalsContact CD1-CE 3.44Å; I776-M778 HydrophobicContact CG1-CE 3.51Å; M778-A780 PolarHBondContact O-N 3.4Å; M778-I789 HydrophobicContact CE-CB 4.07Å; M778-I789 HydrophobicContact CE-CG2 3.71Å; M778-F805 WeakPolarHBondContact CE-O 3.35Å; M778-G807 PolarHBondContact N-O 2.9Å; M778-G807 WeakPolarHBondContact O-CA 3.48Å; M778-G807 PolarHBondContact O-N 2.75Å; M778-F825 HydrophobicContact CG-CE2 4.43Å; M778-F825 HydrophobicContact SD-CD2 4Å; M778-F825 HydrophobicContact SD-CE2 3.69Å
779	E	93.6	Very high	92	Very high	28 Å²	28	46.2 Å²	46.2	13%	0.131	25%	0.248	C	C	.	.			trans	-55.6	132.2	171.4	-171.5	173.5	-158.6	0	0	111.1	Y751 Y786 D787 C806 G807 V831	Y751-E779 PolarHBondContact OH-N 2.81Å; E779-Y786 HydrophobicContact CG-CD2 4.07Å; E779-Y786 VanDerWaalsContact OE2-CB 3.23Å; E779-Y786 WeakPolarHBondContact OE2-CB 3.43Å; E779-D787 HydrophobicContact CB-CB 3.97Å; E779-C806 WeakPolarHBondContact O-CB 3.32Å; E779-G807 PolarHBondContact O-N 3.38Å; E779-V831 HydrophobicContact CB-CG1 4.21Å; E779-V831 HydrophobicContact CG-CB 4.16Å; E779-V831 HydrophobicContact CG-CG1 3.88Å; E779-V831 WeakPolarHBondContact OE1-CB 3.36Å; E779-V831 WeakPolarHBondContact OE1-CG2 3.38Å
780	A	88.8	Confident	92.1	Very high	76 Å²	76	47.1 Å²	47.1	63%	0.628	25%	0.252	S	S	*	.			trans	-91	128.8	-176.9	0	0	0	0	0	110.6	M778	M778-A780 PolarHBondContact O-N 3.4Å
781	H	91.6	Very high	92.2	Very high	61 Å²	61	44.4 Å²	44.4	28%	0.282	24%	0.24	S	C	.	.			trans	-144.4	148.7	173	-177.5	-92.7	0	0	0	110	E783 C784 A785 Y786 C806	H781-E783 VanDerWaalsContact C-N 3.25Å; H781-E783 PolarHBondContact ND1-N 3.26Å; H781-E783 PolarHBondContact O-N 2.99Å; H781-C784 PolarHBondContact ND1-N 3.22Å; H781-C784 PolarHBondContact O-N 3.11Å; H781-C784 VanDerWaalsContact O-N 3.11Å; H781-A785 PolarHBondContact ND1-N 3.04Å; H781-Y786 HydrophobicContact CB-CD2 3.8Å; H781-Y786 HydrophobicContact CB-CE2 4.15Å; H781-Y786 HydrophobicContact CB-CG 4.43Å; H781-Y786 AromaticContact CD2-CD2 3.9Å; H781-Y786 AromaticContact CD2-CE2 3.4Å; H781-Y786 WeakPolarHBondContact CD2-CE2 3.22Å; H781-Y786 AromaticContact CD2-CZ 3.67Å; H781-C806 PolarHBondContact O-SG 2.84Å; H781-C806 VanDerWaalsContact O-SG 3.4Å
782	L	84.8	Confident	92.3	Very high	175 Å²	175	45.4 Å²	45.4	92%	0.916	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.9	-175.2	-172.9	66	0	0	0	113
783	E	87.1	Confident	92.2	Very high	152 Å²	152	45.4 Å²	45.4	71%	0.71	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	12	177.6	-59.7	-171.6	111.2	0	0	113.5	H781 A785	H781-E783 VanDerWaalsContact C-N 3.25Å; H781-E783 PolarHBondContact ND1-N 3.26Å; H781-E783 PolarHBondContact O-N 2.99Å; E783-A785 VanDerWaalsContact C-N 3.31Å; E783-A785 PolarHBondContact O-N 3.38Å
784	C	89.8	Confident	92	Very high	17 Å²	17	45.3 Å²	45.3	12%	0.115	24%	0.244	C	C	.	.			trans	50.7	48.2	-175	-61.2	0	0	0	0	113.3	H781 H788 R804 C806	H781-C784 PolarHBondContact ND1-N 3.22Å; H781-C784 PolarHBondContact O-N 3.11Å; H781-C784 VanDerWaalsContact O-N 3.11Å; C784-H788 HydrophobicContact CB-CB 4.03Å; C784-H788 PolarHBondContact O-ND1 2.97Å; C784-R804 HydrophobicContact CB-CG 3.94Å; C784-C806 WeakPolarHBondContact CA-SG 3.32Å; C784-C806 HydrophobicContact CB-CB 3.54Å; C784-C806 WeakPolarHBondContact CB-SG 3.21Å; C784-C806 WeakPolarHBondContact SG-CB 3.26Å; C784-C806 PolarHBondContact SG-N 3.42Å; C784-C806 CovalentContact SG-SG 2.04Å; C784-C806 PolarHBondContact SG-SG 2.65Å
785	A	86.9	Confident	91.8	Very high	54 Å²	54	50.9 Å²	50.9	45%	0.446	26%	0.26	S	S	.	.			trans	-86.2	-20.6	-175.2	0	0	0	0	0	113.5	H781 E783	H781-A785 PolarHBondContact ND1-N 3.04Å; E783-A785 VanDerWaalsContact C-N 3.31Å; E783-A785 PolarHBondContact O-N 3.38Å
786	Y	90.9	Very high	91.6	Very high	97 Å²	97	49.6 Å²	49.6	38%	0.38	26%	0.256	S	S	.	.	S	Bend	trans	-87.2	-123.8	173.8	-50.3	-41.2	0	0	0	109.3	E779 H781 H788	E779-Y786 HydrophobicContact CG-CD2 4.07Å; E779-Y786 VanDerWaalsContact OE2-CB 3.23Å; E779-Y786 WeakPolarHBondContact OE2-CB 3.43Å; H781-Y786 HydrophobicContact CB-CD2 3.8Å; H781-Y786 HydrophobicContact CB-CE2 4.15Å; H781-Y786 HydrophobicContact CB-CG 4.43Å; H781-Y786 AromaticContact CD2-CD2 3.9Å; H781-Y786 AromaticContact CD2-CE2 3.4Å; H781-Y786 WeakPolarHBondContact CD2-CE2 3.22Å; H781-Y786 AromaticContact CD2-CZ 3.67Å; Y786-H788 PolarHBondContact O-N 3.37Å; Y786-H788 PolarHBondContact O-ND1 2.03Å
787	D	93.8	Very high	91.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-71.4	123.8	178.8	-57.2	-15.7	0	0	0	111.7	Y751 E779 C806 F826 S827 D828	Y751-D787 HydrophobicContact CE2-CB 4.39Å; Y751-D787 WeakPolarHBondContact CE2-OD2 3.23Å; Y751-D787 PolarHBondContact OH-OD2 3Å; E779-D787 HydrophobicContact CB-CB 3.97Å; D787-C806 VanDerWaalsContact O-CB 3.24Å; D787-C806 WeakPolarHBondContact O-CB 3.47Å; D787-F826 VanDerWaalsContact CA-O 3.32Å; D787-F826 WeakPolarHBondContact CA-O 3.47Å; D787-S827 WeakPolarHBondContact OD1-CA 3.41Å; D787-D828 PolarHBondContact OD1-N 3.49Å
788	H	94.6	Very high	91.1	Very high	22 Å²	22	58.6 Å²	58.6	10%	0.102	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	161.3	-177.7	65.8	-85.5	0	0	0	113.2	C784 Y786 R804 F805 C806 F826	C784-H788 HydrophobicContact CB-CB 4.03Å; C784-H788 PolarHBondContact O-ND1 2.97Å; Y786-H788 PolarHBondContact O-N 3.37Å; Y786-H788 PolarHBondContact O-ND1 2.03Å; H788-R804 HydrophobicContact CB-CG 4.02Å; H788-F805 CarbonylContact C-O 3.53Å; H788-F805 VanDerWaalsContact CA-O 3.3Å; H788-F805 WeakPolarHBondContact CA-O 3.46Å; H788-F805 WeakPolarHBondContact CB-O 3.46Å; H788-C806 HydrophobicContact CB-CB 4.29Å; H788-F826 AromaticContact CE1-CD1 3.97Å; H788-F826 PolarHBondContact N-O 3.38Å; H788-F826 PolarHBondContact O-N 3.32Å
789	I	94.3	Very high	91	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.7	167.6	-162.1	171.8	0	0	0	109.7	F773 I776 M778 R804 F805 I823 R824 F836	F773-I789 HydrophobicContact CE1-CD1 3.98Å; F773-I789 HydrophobicContact CE1-CG2 4.23Å; F773-I789 HydrophobicContact CZ-CD1 3.94Å; F773-I789 HydrophobicContact CZ-CG2 3.93Å; I776-I789 HydrophobicContact CD1-CG2 4.44Å; M778-I789 HydrophobicContact CE-CB 4.07Å; M778-I789 HydrophobicContact CE-CG2 3.71Å; I789-R804 CarbonylContact O-C 3.43Å; I789-R804 WeakPolarHBondContact O-CA 3.35Å; I789-F805 HydrophobicContact CG2-CB 3.9Å; I789-F805 HydrophobicContact CG2-CD2 4.22Å; I789-F805 PolarHBondContact N-O 3.05Å; I789-F805 PolarHBondContact O-N 3.27Å; I789-I823 HydrophobicContact CD1-CG2 3.53Å; I789-I823 HydrophobicContact CG1-CG2 3.63Å; I789-R824 CarbonylContact C-O 3.47Å; I789-R824 WeakPolarHBondContact CA-O 3.44Å; I789-F836 HydrophobicContact CD1-CD1 4.02Å; I789-F836 HydrophobicContact CD1-CD2 4.23Å; I789-F836 HydrophobicContact CD1-CE1 3.64Å; I789-F836 HydrophobicContact CD1-CE2 3.86Å; I789-F836 HydrophobicContact CD1-CG 4.31Å; I789-F836 HydrophobicContact CD1-CZ 3.55Å
790	E	94.4	Very high	90.9	Very high	22 Å²	22	62 Å²	62	10%	0.103	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.7	177.3	-163.6	168.5	161.8	0	0	110.1	Y792 S801 G803 R804 I823 R824	E790-Y792 HydrophobicContact CB-CE2 4.02Å; E790-Y792 VanDerWaalsContact CD-CZ 3.42Å; E790-Y792 HydrophobicContact CG-CE1 4.17Å; E790-Y792 HydrophobicContact CG-CE2 3.84Å; E790-Y792 VanDerWaalsContact OE1-CE1 3.32Å; E790-Y792 WeakPolarHBondContact OE1-CE1 3.2Å; E790-Y792 VanDerWaalsContact OE1-CZ 3.3Å; E790-Y792 PolarHBondContact OE1-OH 3.19Å; E790-Y792 PolarHBondContact OE2-OH 2.82Å; E790-S801 WeakPolarHBondContact CG-OG 3.23Å; E790-S801 PolarHBondContact OE1-OG 2.01Å; E790-G803 WeakPolarHBondContact CA-O 3.5Å; E790-R804 HydrophobicContact CG-CB 4.33Å; E790-R804 IonicContact OE2-CZ 3.1Å; E790-R804 IonicContact OE2-NE 3.19Å; E790-R804 PolarHBondContact OE2-NE 3.15Å; E790-R804 VanDerWaalsContact OE2-NE 3.1Å; E790-R804 IonicContact OE2-NH2 3.4Å; E790-R804 PolarHBondContact OE2-NH2 3.41Å; E790-I823 CarbonylContact O-C 3.58Å; E790-I823 WeakPolarHBondContact O-CA 3.01Å; E790-R824 PolarHBondContact N-O 2.9Å; E790-R824 PolarHBondContact O-N 2.88Å
791	I	96.1	Very high	91.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	-174.3	-61.6	172.2	0	0	0	108.5	F773 S801 L802 G803 F805 I814 L821 I823	F773-I791 HydrophobicContact CE2-CD1 3.88Å; F773-I791 HydrophobicContact CZ-CD1 3.99Å; I791-S801 CarbonylContact O-C 3.53Å; I791-L802 HydrophobicContact CG2-CB 4.35Å; I791-L802 HydrophobicContact CG2-CD1 4.27Å; I791-L802 PolarHBondContact O-N 3.4Å; I791-G803 PolarHBondContact N-O 2.88Å; I791-F805 HydrophobicContact CD1-CD2 4.35Å; I791-F805 HydrophobicContact CD1-CE2 4.07Å; I791-I814 HydrophobicContact CD1-CD1 3.45Å; I791-I814 VanDerWaalsContact CD1-CD1 3.45Å; I791-I814 HydrophobicContact CG2-CG2 4.28Å; I791-L821 HydrophobicContact CG2-CD1 3.75Å; I791-L821 HydrophobicContact CG2-CD2 4.1Å; I791-L821 HydrophobicContact CG2-CG 4.07Å; I791-I823 HydrophobicContact CG1-CG1 4.2Å; I791-I823 HydrophobicContact CG1-CG2 4.16Å; I791-I823 HydrophobicContact CG2-CG1 4.38Å
792	Y	96.1	Very high	91.2	Very high	22 Å²	22	61.3 Å²	61.3	9%	0.086	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.4	-175.5	-57.1	-90.1	0	0	0	111.2	E790 G794 A797 A799 S800 L821 F822 R824	E790-Y792 HydrophobicContact CB-CE2 4.02Å; E790-Y792 VanDerWaalsContact CD-CZ 3.42Å; E790-Y792 HydrophobicContact CG-CE1 4.17Å; E790-Y792 HydrophobicContact CG-CE2 3.84Å; E790-Y792 VanDerWaalsContact OE1-CE1 3.32Å; E790-Y792 WeakPolarHBondContact OE1-CE1 3.2Å; E790-Y792 VanDerWaalsContact OE1-CZ 3.3Å; E790-Y792 PolarHBondContact OE1-OH 3.19Å; E790-Y792 PolarHBondContact OE2-OH 2.82Å; Y792-G794 VanDerWaalsContact C-N 3.3Å; Y792-G794 PolarHBondContact O-N 2.84Å; Y792-A797 HydrophobicContact CD2-CB 4.44Å; Y792-A797 HydrophobicContact CE2-CB 4.04Å; Y792-A799 WeakPolarHBondContact CD1-O 2.99Å; Y792-S800 WeakPolarHBondContact CA-O 2.98Å; Y792-L821 WeakPolarHBondContact O-CD1 3.34Å; Y792-F822 AromaticContact CD2-CD1 3.82Å; Y792-F822 HydrophobicContact CD2-CD1 3.82Å; Y792-F822 HydrophobicContact CE2-CD1 4.4Å; Y792-F822 PolarHBondContact N-O 3.33Å; Y792-F822 PolarHBondContact O-N 2.89Å; Y792-R824 HydrophobicContact CE2-CB 4.23Å
793	D	93.3	Very high	91.4	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.15	29%	0.287	C	S	.	.	S	Bend	trans	-82.6	67.3	-179	-164.2	13.8	0	0	0	112	S800 L802 S816 S817	D793-S800 PolarHBondContact N-O 3.02Å; D793-L802 HydrophobicContact CB-CD1 3.87Å; D793-L802 HydrophobicContact CB-CD2 3.81Å; D793-L802 HydrophobicContact CB-CG 3.76Å; D793-S816 WeakPolarHBondContact OD1-CA 3.35Å; D793-S816 VanDerWaalsContact OD1-CB 3.27Å; D793-S816 WeakPolarHBondContact OD1-CB 3.33Å; D793-S817 PolarHBondContact OD1-N 3.07Å; D793-S817 PolarHBondContact OD1-OG 2.83Å; D793-S817 WeakPolarHBondContact OD2-CB 3.11Å; D793-S817 PolarHBondContact OD2-N 3.39Å; D793-S817 PolarHBondContact OD2-OG 3.04Å
794	G	90.3	Very high	91.7	Very high	14 Å²	14	52.2 Å²	52.2	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	169.4	-159.2	179.8	0	0	0	0	0	113.5	Y792 K820 L821 F822	Y792-G794 VanDerWaalsContact C-N 3.3Å; Y792-G794 PolarHBondContact O-N 2.84Å; G794-K820 PolarHBondContact N-O 3.3Å; G794-K820 CarbonylContact O-C 3.57Å; G794-L821 CarbonylContact O-C 3.56Å; G794-L821 VanDerWaalsContact O-C 3.27Å; G794-L821 WeakPolarHBondContact O-CA 3.33Å; G794-L821 PolarHBondContact O-N 3.1Å; G794-F822 WeakPolarHBondContact O-CB 3.39Å; G794-F822 PolarHBondContact O-N 3.38Å; G794-F822 VanDerWaalsContact O-N 3.12Å
795	R	88.4	Confident	92	Very high	180 Å²	180	53.5 Å²	53.5	68%	0.679	28%	0.278	S	S	*	.	S	Bend	trans	-81.7	-21.6	-171.8	72.7	179.1	-176.2	-171.8	-8.5	114.8	K820 F822	R795-K820 HydrophobicContact CB-CD 4.06Å; R795-F822 WeakPolarHBondContact O-CD2 3.44Å
796	D	89.8	Confident	92.3	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.241	26%	0.263	C	S	.	.	S	Bend	trans	-154.8	173.2	-169.7	62.4	47.6	0	0	0	110.8	K798 A799	D796-K798 PolarHBondContact O-N 3.24Å; D796-K798 WeakPolarHBondContact OD1-CA 3.3Å; D796-K798 WeakPolarHBondContact OD1-CB 3.47Å; D796-K798 PolarHBondContact OD1-N 3.03Å; D796-A799 WeakPolarHBondContact O-CB 3.48Å; D796-A799 PolarHBondContact O-N 3.1Å; D796-A799 VanDerWaalsContact O-N 3.15Å
797	A	87.5	Confident	92.3	Very high	40 Å²	40	47.7 Å²	47.7	33%	0.331	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-0.4	-179.2	0	0	0	0	0	115.1	Y792 F822	Y792-A797 HydrophobicContact CD2-CB 4.44Å; Y792-A797 HydrophobicContact CE2-CB 4.04Å; A797-F822 HydrophobicContact CB-CD1 4.23Å; A797-F822 HydrophobicContact CB-CE1 3.92Å
798	K	88.7	Confident	92.2	Very high	193 Å²	193	51.9 Å²	51.9	84%	0.839	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.6	172.6	-54.5	178.8	178.5	178.8	0	112.3	D796	D796-K798 PolarHBondContact O-N 3.24Å; D796-K798 WeakPolarHBondContact OD1-CA 3.3Å; D796-K798 WeakPolarHBondContact OD1-CB 3.47Å; D796-K798 PolarHBondContact OD1-N 3.03Å
799	A	90.8	Very high	92.1	Very high	28 Å²	28	59.5 Å²	59.5	23%	0.231	31%	0.312	C	S	.	.	S	Bend	trans	-71	169.7	175.4	0	0	0	0	0	111.8	Y792 D796 S801	Y792-A799 WeakPolarHBondContact CD1-O 2.99Å; D796-A799 WeakPolarHBondContact O-CB 3.48Å; D796-A799 PolarHBondContact O-N 3.1Å; D796-A799 VanDerWaalsContact O-N 3.15Å; A799-S801 PolarHBondContact O-N 3.33Å
800	S	91.4	Very high	91.9	Very high	77 Å²	77	65.3 Å²	65.3	54%	0.538	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64	126	178.1	44.7	0	0	0	0	111.2	Y792 D793 L802	Y792-S800 WeakPolarHBondContact CA-O 2.98Å; D793-S800 PolarHBondContact N-O 3.02Å; S800-L802 PolarHBondContact O-N 3.22Å
801	S	93.2	Very high	91.8	Very high	59 Å²	59	65.1 Å²	65.1	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.8	175.4	-170.5	0	0	0	0	110.1	E790 I791 A799	E790-S801 WeakPolarHBondContact CG-OG 3.23Å; E790-S801 PolarHBondContact OE1-OG 2.01Å; I791-S801 CarbonylContact O-C 3.53Å; A799-S801 PolarHBondContact O-N 3.33Å
802	L	92.4	Very high	91.6	Very high	63 Å²	63	69.9 Å²	69.9	33%	0.33	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-16.5	174	-65.3	179.6	0	0	0	112.1	I791 D793 S800 I814 L821	I791-L802 HydrophobicContact CG2-CB 4.35Å; I791-L802 HydrophobicContact CG2-CD1 4.27Å; I791-L802 PolarHBondContact O-N 3.4Å; D793-L802 HydrophobicContact CB-CD1 3.87Å; D793-L802 HydrophobicContact CB-CD2 3.81Å; D793-L802 HydrophobicContact CB-CG 3.76Å; S800-L802 PolarHBondContact O-N 3.22Å; L802-I814 HydrophobicContact CB-CG2 3.93Å; L802-I814 HydrophobicContact CD1-CG2 3.54Å; L802-I814 HydrophobicContact CG-CG2 4.35Å; L802-L821 HydrophobicContact CD1-CD1 3.81Å
803	G	90.2	Very high	91.5	Very high	18 Å²	18	72.6 Å²	72.6	19%	0.186	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158	157.8	173.1	0	0	0	0	0	113.6	E790 I791 F805	E790-G803 WeakPolarHBondContact CA-O 3.5Å; I791-G803 PolarHBondContact N-O 2.88Å; G803-F805 VanDerWaalsContact C-CE2 3.48Å; G803-F805 WeakPolarHBondContact O-CE2 3.36Å
804	R	93.7	Very high	91.6	Very high	118 Å²	118	72.1 Å²	72.1	45%	0.445	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.8	172.3	-178.2	-179.5	-66.7	-179.3	-1.7	109.1	C784 H788 I789 E790	C784-R804 HydrophobicContact CB-CG 3.94Å; H788-R804 HydrophobicContact CB-CG 4.02Å; I789-R804 CarbonylContact O-C 3.43Å; I789-R804 WeakPolarHBondContact O-CA 3.35Å; E790-R804 HydrophobicContact CG-CB 4.33Å; E790-R804 IonicContact OE2-CZ 3.1Å; E790-R804 IonicContact OE2-NE 3.19Å; E790-R804 PolarHBondContact OE2-NE 3.15Å; E790-R804 VanDerWaalsContact OE2-NE 3.1Å; E790-R804 IonicContact OE2-NH2 3.4Å; E790-R804 PolarHBondContact OE2-NH2 3.41Å
805	F	94.6	Very high	91.6	Very high	43 Å²	43	74.9 Å²	74.9	19%	0.189	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.7	-172.2	-47.9	-80.7	0	0	0	111.6	I776 M778 H788 I789 I791 G803 P811 I814	I776-F805 HydrophobicContact CD1-CB 4.3Å; M778-F805 WeakPolarHBondContact CE-O 3.35Å; H788-F805 CarbonylContact C-O 3.53Å; H788-F805 VanDerWaalsContact CA-O 3.3Å; H788-F805 WeakPolarHBondContact CA-O 3.46Å; H788-F805 WeakPolarHBondContact CB-O 3.46Å; I789-F805 HydrophobicContact CG2-CB 3.9Å; I789-F805 HydrophobicContact CG2-CD2 4.22Å; I789-F805 PolarHBondContact N-O 3.05Å; I789-F805 PolarHBondContact O-N 3.27Å; I791-F805 HydrophobicContact CD1-CD2 4.35Å; I791-F805 HydrophobicContact CD1-CE2 4.07Å; G803-F805 VanDerWaalsContact C-CE2 3.48Å; G803-F805 WeakPolarHBondContact O-CE2 3.36Å; F805-P811 HydrophobicContact CD1-CB 3.54Å; F805-P811 HydrophobicContact CD1-CG 4.01Å; F805-P811 HydrophobicContact CE1-CB 3.49Å; F805-P811 VanDerWaalsContact CE1-CB 3.49Å; F805-P811 HydrophobicContact CE1-CG 4.28Å; F805-P811 HydrophobicContact CG-CB 4.17Å; F805-P811 HydrophobicContact CG-CG 4.13Å; F805-P811 HydrophobicContact CZ-CB 4.1Å; F805-I814 HydrophobicContact CD2-CD1 4.41Å; F805-I814 HydrophobicContact CE2-CD1 3.41Å; F805-I814 VanDerWaalsContact CE2-CD1 3.41Å; F805-I814 HydrophobicContact CZ-CD1 3.5Å; F805-I814 VanDerWaalsContact CZ-CD1 3.5Å; F805-I814 HydrophobicContact CZ-CG1 4.46Å
806	C	93.6	Very high	91.9	Very high	20 Å²	20	66.4 Å²	66.4	14%	0.135	37%	0.365	C	S	.	.			trans	-154.5	178.4	177.7	67.4	0	0	0	0	110.2	E779 H781 C784 D787 H788	E779-C806 WeakPolarHBondContact O-CB 3.32Å; H781-C806 PolarHBondContact O-SG 2.84Å; H781-C806 VanDerWaalsContact O-SG 3.4Å; C784-C806 WeakPolarHBondContact CA-SG 3.32Å; C784-C806 HydrophobicContact CB-CB 3.54Å; C784-C806 WeakPolarHBondContact CB-SG 3.21Å; C784-C806 WeakPolarHBondContact SG-CB 3.26Å; C784-C806 PolarHBondContact SG-N 3.42Å; C784-C806 CovalentContact SG-SG 2.04Å; C784-C806 PolarHBondContact SG-SG 2.65Å; D787-C806 VanDerWaalsContact O-CB 3.24Å; D787-C806 WeakPolarHBondContact O-CB 3.47Å; H788-C806 HydrophobicContact CB-CB 4.29Å
807	G	92.1	Very high	91.7	Very high	9 Å²	9	68 Å²	68	9%	0.093	38%	0.379	C	S	.	.	S	Bend	trans	72	-158.3	-175.7	0	0	0	0	0	113.3	M778 E779	M778-G807 PolarHBondContact N-O 2.9Å; M778-G807 WeakPolarHBondContact O-CA 3.48Å; M778-G807 PolarHBondContact O-N 2.75Å; E779-G807 PolarHBondContact O-N 3.38Å
808	S	91.7	Very high	91.8	Very high	89 Å²	89	67.3 Å²	67.3	62%	0.622	38%	0.376	S	S	*	.	S	Bend	trans	-107.2	3.6	-177.1	56.9	0	0	0	0	114.7	I776 K810	I776-S808 VanDerWaalsContact O-CA 3.3Å; I776-S808 WeakPolarHBondContact O-CA 3.02Å; S808-K810 PolarHBondContact O-N 2.89Å
809	K	91.6	Very high	91.8	Very high	181 Å²	181	60.2 Å²	60.2	79%	0.787	35%	0.348	S	S	*	.			trans	-85	115.6	-180	-174.2	-179.7	178.3	-177.2	0	110
810	K	90.7	Very high	91.8	Very high	122 Å²	122	63 Å²	63	53%	0.53	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-64	126	177	-61.6	-178.4	-167.9	-176.1	0	111.2	N774 I776 S808	N774-K810 WeakPolarHBondContact O-CE 3.48Å; N774-K810 PolarHBondContact O-NZ 3.42Å; I776-K810 HydrophobicContact CG2-CB 4.43Å; I776-K810 HydrophobicContact CG2-CG 3.93Å; S808-K810 PolarHBondContact O-N 2.89Å
811	P	91.9	Very high	92	Very high	18 Å²	18	59.4 Å²	59.4	12%	0.117	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-73.4	156.4	172.1	31.2	-34	0	0	0	111.1	F773 F805	F773-P811 HydrophobicContact CD2-CG 3.37Å; F773-P811 HydrophobicContact CE2-CG 3.67Å; F773-P811 HydrophobicContact CG-CG 4.07Å; F805-P811 HydrophobicContact CD1-CB 3.54Å; F805-P811 HydrophobicContact CD1-CG 4.01Å; F805-P811 HydrophobicContact CE1-CB 3.49Å; F805-P811 VanDerWaalsContact CE1-CB 3.49Å; F805-P811 HydrophobicContact CE1-CG 4.28Å; F805-P811 HydrophobicContact CG-CB 4.17Å; F805-P811 HydrophobicContact CG-CG 4.13Å; F805-P811 HydrophobicContact CZ-CB 4.1Å
812	P	92.6	Very high	92	Very high	101 Å²	101	57.7 Å²	57.7	66%	0.656	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-62.5	158	171.1	28.9	-34.6	0	0	0	110.7	I814	P812-I814 WeakPolarHBondContact O-CG1 3.34Å; P812-I814 PolarHBondContact O-N 3.27Å
813	P	93.2	Very high	92.2	Very high	79 Å²	79	54.7 Å²	54.7	51%	0.513	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-55.8	131.1	177.8	-25.4	34.5	0	0	0	112.2	K770 I771	K770-P813 HydrophobicContact CG-CB 4.34Å; I771-P813 CarbonylContact O-C 3.52Å; I771-P813 WeakPolarHBondContact O-CA 3.47Å
814	I	94.3	Very high	92.3	Very high	18 Å²	18	58.7 Å²	58.7	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.8	-176.2	-62.1	161.1	0	0	0	108.3	K770 I771 I791 L802 F805 P812	K770-I814 CarbonylContact C-O 3.57Å; K770-I814 VanDerWaalsContact CA-O 3.27Å; K770-I814 WeakPolarHBondContact CA-O 3.49Å; I771-I814 PolarHBondContact N-O 3.15Å; I771-I814 PolarHBondContact O-N 3.46Å; I791-I814 HydrophobicContact CD1-CD1 3.45Å; I791-I814 VanDerWaalsContact CD1-CD1 3.45Å; I791-I814 HydrophobicContact CG2-CG2 4.28Å; L802-I814 HydrophobicContact CB-CG2 3.93Å; L802-I814 HydrophobicContact CD1-CG2 3.54Å; L802-I814 HydrophobicContact CG-CG2 4.35Å; F805-I814 HydrophobicContact CD2-CD1 4.41Å; F805-I814 HydrophobicContact CE2-CD1 3.41Å; F805-I814 VanDerWaalsContact CE2-CD1 3.41Å; F805-I814 HydrophobicContact CZ-CD1 3.5Å; F805-I814 VanDerWaalsContact CZ-CD1 3.5Å; F805-I814 HydrophobicContact CZ-CG1 4.46Å; P812-I814 WeakPolarHBondContact O-CG1 3.34Å; P812-I814 PolarHBondContact O-N 3.27Å
815	I	91.9	Very high	92.3	Very high	72 Å²	72	53.1 Å²	53.1	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.7	-177.8	-52.5	176.1	0	0	0	108.5	R768 I769 K770	R768-I815 HydrophobicContact CB-CG2 3.98Å; I769-I815 WeakPolarHBondContact O-CA 3.03Å; K770-I815 HydrophobicContact CB-CG1 4.13Å; K770-I815 HydrophobicContact CD-CG1 4.46Å; K770-I815 HydrophobicContact CG-CG1 4.03Å
816	S	93.1	Very high	92.3	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.014	30%	0.295	C	S	.	.			trans	-67.8	160.2	174.7	61.2	0	0	0	0	112.1	R768 I769 D793 G818	R768-S816 WeakPolarHBondContact CB-O 3.5Å; R768-S816 WeakPolarHBondContact CD-O 3.28Å; R768-S816 WeakPolarHBondContact CG-O 3.45Å; I769-S816 PolarHBondContact N-OG 3.13Å; I769-S816 PolarHBondContact O-N 2.77Å; I769-S816 PolarHBondContact O-OG 2.94Å; D793-S816 WeakPolarHBondContact OD1-CA 3.35Å; D793-S816 VanDerWaalsContact OD1-CB 3.27Å; D793-S816 WeakPolarHBondContact OD1-CB 3.33Å; S816-G818 WeakPolarHBondContact CB-O 3.04Å; S816-G818 PolarHBondContact OG-O 3.34Å
817	S	87.6	Confident	92.2	Very high	77 Å²	77	53.8 Å²	53.8	54%	0.538	29%	0.288	S	S	.	.	S	Bend	trans	-80	-23.4	171.9	62	0	0	0	0	113.2	D793	D793-S817 PolarHBondContact OD1-N 3.07Å; D793-S817 PolarHBondContact OD1-OG 2.83Å; D793-S817 WeakPolarHBondContact OD2-CB 3.11Å; D793-S817 PolarHBondContact OD2-N 3.39Å; D793-S817 PolarHBondContact OD2-OG 3.04Å
818	G	88.1	Confident	92.1	Very high	26 Å²	26	55.1 Å²	55.1	27%	0.268	29%	0.293	S	S	.	.	S	Bend	trans	-137	-164.4	179.7	0	0	0	0	0	113.5	H767 S816 K820	H767-G818 CarbonylContact O-C 3.53Å; S816-G818 WeakPolarHBondContact CB-O 3.04Å; S816-G818 PolarHBondContact OG-O 3.34Å; G818-K820 PolarHBondContact O-N 3.46Å
819	N	88.4	Confident	92	Very high	44 Å²	44	55.9 Å²	55.9	24%	0.235	29%	0.29	C	S	.	.	S	Bend	trans	-85.8	14.9	-172.5	75	-58.7	0	0	0	114.6	T762 T763 H767	T762-N819 WeakPolarHBondContact CA-O 2.97Å; T763-N819 HydrophobicContact CG2-CB 3.89Å; T763-N819 PolarHBondContact N-O 3.22Å; T763-N819 WeakPolarHBondContact O-CB 3.33Å; T763-N819 PolarHBondContact O-ND2 3.2Å; H767-N819 WeakPolarHBondContact O-CA 3.45Å; H767-N819 VanDerWaalsContact O-CB 3.29Å; H767-N819 WeakPolarHBondContact O-CB 3.48Å; H767-N819 PolarHBondContact O-N 2.83Å
820	K	92.1	Very high	91.7	Very high	88 Å²	88	50.1 Å²	50.1	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.1	-179.9	-64.4	-172.7	179.2	-174.8	0	110.4	L761 T762 G794 R795 G818	L761-K820 WeakPolarHBondContact O-CA 3.25Å; T762-K820 HydrophobicContact CG2-CG 4.21Å; G794-K820 PolarHBondContact N-O 3.3Å; G794-K820 CarbonylContact O-C 3.57Å; R795-K820 HydrophobicContact CB-CD 4.06Å; G818-K820 PolarHBondContact O-N 3.46Å
821	L	94.3	Very high	91.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.5	177.9	-171.6	80.6	0	0	0	108.8	L761 I769 I771 I791 Y792 G794 L802 I823	L761-L821 HydrophobicContact CB-CB 4.36Å; L761-L821 PolarHBondContact N-O 3.23Å; L761-L821 PolarHBondContact O-N 3.49Å; I769-L821 HydrophobicContact CB-CB 4.17Å; I769-L821 HydrophobicContact CD1-CB 3.9Å; I769-L821 HydrophobicContact CG2-CB 4.22Å; I769-L821 HydrophobicContact CG2-CD2 3.97Å; I771-L821 HydrophobicContact CD1-CD2 3.96Å; I771-L821 HydrophobicContact CG1-CD2 3.3Å; I791-L821 HydrophobicContact CG2-CD1 3.75Å; I791-L821 HydrophobicContact CG2-CD2 4.1Å; I791-L821 HydrophobicContact CG2-CG 4.07Å; Y792-L821 WeakPolarHBondContact O-CD1 3.34Å; G794-L821 CarbonylContact O-C 3.56Å; G794-L821 VanDerWaalsContact O-C 3.27Å; G794-L821 WeakPolarHBondContact O-CA 3.33Å; G794-L821 PolarHBondContact O-N 3.1Å; L802-L821 HydrophobicContact CD1-CD1 3.81Å; L821-I823 HydrophobicContact CD2-CD1 4.17Å; L821-I823 HydrophobicContact CD2-CG1 4.24Å; L821-I823 HydrophobicContact CG-CG1 4.49Å
822	F	94.8	Very high	91.4	Very high	23 Å²	23	49.2 Å²	49.2	10%	0.101	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.3	-179.9	-173.9	-97.6	0	0	0	110	T758 W759 A760 Y792 G794 R795 A797 R824	T758-F822 HydrophobicContact CG2-CE1 4.31Å; T758-F822 HydrophobicContact CG2-CE2 4.49Å; T758-F822 HydrophobicContact CG2-CZ 3.67Å; W759-F822 WeakPolarHBondContact O-CA 3.45Å; A760-F822 HydrophobicContact CB-CD2 3.97Å; A760-F822 HydrophobicContact CB-CE2 4.31Å; Y792-F822 AromaticContact CD2-CD1 3.82Å; Y792-F822 HydrophobicContact CD2-CD1 3.82Å; Y792-F822 HydrophobicContact CE2-CD1 4.4Å; Y792-F822 PolarHBondContact N-O 3.33Å; Y792-F822 PolarHBondContact O-N 2.89Å; G794-F822 WeakPolarHBondContact O-CB 3.39Å; G794-F822 PolarHBondContact O-N 3.38Å; G794-F822 VanDerWaalsContact O-N 3.12Å; R795-F822 WeakPolarHBondContact O-CD2 3.44Å; A797-F822 HydrophobicContact CB-CD1 4.23Å; A797-F822 HydrophobicContact CB-CE1 3.92Å; F822-R824 HydrophobicContact CE1-CB 4.37Å
823	I	94.9	Very high	91.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.6	-176.7	-54.7	177.2	0	0	0	108.3	I742 T758 W759 L761 I771 I789 E790 I791 L821	I742-I823 HydrophobicContact CD1-CD1 3.44Å; I742-I823 VanDerWaalsContact CD1-CD1 3.44Å; T758-I823 CarbonylContact C-O 3.41Å; T758-I823 VanDerWaalsContact CA-O 3.24Å; T758-I823 WeakPolarHBondContact CA-O 3.22Å; W759-I823 HydrophobicContact CB-CB 4.26Å; W759-I823 HydrophobicContact CE3-CB 4.25Å; W759-I823 HydrophobicContact CE3-CG2 4.03Å; W759-I823 PolarHBondContact N-O 2.85Å; W759-I823 PolarHBondContact O-N 3.02Å; L761-I823 HydrophobicContact CD1-CD1 3.84Å; L761-I823 HydrophobicContact CD1-CG1 4.19Å; I771-I823 HydrophobicContact CD1-CD1 4.01Å; I771-I823 HydrophobicContact CG1-CD1 4.07Å; I789-I823 HydrophobicContact CD1-CG2 3.53Å; I789-I823 HydrophobicContact CG1-CG2 3.63Å; E790-I823 CarbonylContact O-C 3.58Å; E790-I823 WeakPolarHBondContact O-CA 3.01Å; I791-I823 HydrophobicContact CG1-CG1 4.2Å; I791-I823 HydrophobicContact CG1-CG2 4.16Å; I791-I823 HydrophobicContact CG2-CG1 4.38Å; L821-I823 HydrophobicContact CD2-CD1 4.17Å; L821-I823 HydrophobicContact CD2-CG1 4.24Å; L821-I823 HydrophobicContact CG-CG1 4.49Å
824	R	93.6	Very high	91.2	Very high	103 Å²	103	49.5 Å²	49.5	39%	0.389	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122	177.6	-174.6	174	-176.5	177	0.9	110.7	C757 T758 I789 E790 Y792 F822	C757-R824 CarbonylContact O-C 3.42Å; C757-R824 WeakPolarHBondContact O-CA 2.96Å; T758-R824 HydrophobicContact CG2-CG 4.24Å; I789-R824 CarbonylContact C-O 3.47Å; I789-R824 WeakPolarHBondContact CA-O 3.44Å; E790-R824 PolarHBondContact N-O 2.9Å; E790-R824 PolarHBondContact O-N 2.88Å; Y792-R824 HydrophobicContact CE2-CB 4.23Å; F822-R824 HydrophobicContact CE1-CB 4.37Å
825	F	94.1	Very high	91.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.4	170.2	170.5	-108.3	0	0	0	109.9	Y751 A756 C757 W759 M778 F836	Y751-F825 HydrophobicContact CD1-CZ 4.13Å; Y751-F825 HydrophobicContact CD2-CE1 4.33Å; Y751-F825 AromaticContact CD2-CZ 3.7Å; Y751-F825 HydrophobicContact CD2-CZ 3.7Å; Y751-F825 HydrophobicContact CE1-CZ 4.44Å; Y751-F825 HydrophobicContact CE2-CZ 4.07Å; Y751-F825 HydrophobicContact CG-CE1 4.36Å; Y751-F825 AromaticContact CG-CZ 3.74Å; Y751-F825 HydrophobicContact CG-CZ 3.74Å; A756-F825 CarbonylContact C-O 3.6Å; A756-F825 VanDerWaalsContact CA-O 3.31Å; A756-F825 WeakPolarHBondContact CA-O 3.4Å; C757-F825 HydrophobicContact CB-CB 4.26Å; C757-F825 HydrophobicContact CB-CD1 4.25Å; C757-F825 PolarHBondContact N-O 2.79Å; C757-F825 PolarHBondContact O-N 2.8Å; W759-F825 HydrophobicContact CH2-CB 3.84Å; W759-F825 HydrophobicContact CZ3-CB 3.55Å; M778-F825 HydrophobicContact CG-CE2 4.43Å; M778-F825 HydrophobicContact SD-CD2 4Å; M778-F825 HydrophobicContact SD-CE2 3.69Å; F825-F836 HydrophobicContact CB-CE1 4.03Å; F825-F836 HydrophobicContact CD2-CD1 4.34Å; F825-F836 AromaticContact CD2-CE1 3.93Å; F825-F836 HydrophobicContact CD2-CE1 3.93Å; F825-F836 AromaticContact CG-CE1 4Å; F825-F836 HydrophobicContact CG-CE1 4Å
826	F	92.9	Very high	91.2	Very high	78 Å²	78	45.2 Å²	45.2	34%	0.342	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.9	177.4	-177.4	-94.3	0	0	0	110	A756 D787 H788 D828	A756-F826 HydrophobicContact CB-CD2 4.37Å; D787-F826 VanDerWaalsContact CA-O 3.32Å; D787-F826 WeakPolarHBondContact CA-O 3.47Å; H788-F826 AromaticContact CE1-CD1 3.97Å; H788-F826 PolarHBondContact N-O 3.38Å; H788-F826 PolarHBondContact O-N 3.32Å; F826-D828 HydrophobicContact CE1-CB 4.44Å
827	S	92.9	Very high	91.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.			trans	-129.7	141.2	173.3	53	0	0	0	0	111.4	P752 K754 K755 D787	P752-S827 PolarHBondContact O-OG 2.79Å; K754-S827 VanDerWaalsContact CA-O 3.23Å; K754-S827 WeakPolarHBondContact CA-O 3.41Å; K754-S827 PolarHBondContact N-O 2.9Å; K755-S827 PolarHBondContact N-OG 2.83Å; K755-S827 PolarHBondContact O-N 2.77Å; K755-S827 PolarHBondContact O-OG 2.95Å; D787-S827 WeakPolarHBondContact OD1-CA 3.41Å
828	D	90	Very high	91.6	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.193	22%	0.22	C	C	.	.			trans	-91.1	-163.6	-178.9	89.3	8.8	0	0	0	112.5	S753 K754 D787 F826 S830	S753-D828 CarbonylContact C-O 3.56Å; S753-D828 WeakPolarHBondContact CA-O 3.48Å; S753-D828 WeakPolarHBondContact CB-O 3.3Å; K754-D828 PolarHBondContact N-O 3.29Å; D787-D828 PolarHBondContact OD1-N 3.49Å; F826-D828 HydrophobicContact CE1-CB 4.44Å; D828-S830 VanDerWaalsContact C-N 3.34Å; D828-S830 PolarHBondContact OD1-N 2.95Å
829	N	89.1	Confident	92	Very high	106 Å²	106	44.3 Å²	44.3	57%	0.567	22%	0.217	S	C	*	.	S	Bend	trans	-79.7	-7.4	-176	-167.7	56.5	0	0	0	114.7	K754	K754-N829 WeakPolarHBondContact CE-OD1 3.27Å; K754-N829 HydrophobicContact CG-CB 4.41Å; K754-N829 PolarHBondContact NZ-OD1 3.31Å
830	S	84.9	Confident	92.2	Very high	59 Å²	59	42.6 Å²	42.6	41%	0.413	21%	0.208	S	C	.	.	S	Bend	trans	-145	169.9	-172.5	50	0	0	0	0	112.8	D828 Q832	D828-S830 VanDerWaalsContact C-N 3.34Å; D828-S830 PolarHBondContact OD1-N 2.95Å; S830-Q832 PolarHBondContact O-NE2 3.29Å; S830-Q832 VanDerWaalsContact O-NE2 3.07Å
831	V	84.8	Confident	92.3	Very high	67 Å²	67	40.8 Å²	40.8	41%	0.406	20%	0.204	S	C	.	.			trans	56.1	66.7	171.9	-164.9	0	0	0	0	115.6	Y751 E779	Y751-V831 PolarHBondContact OH-O 3.37Å; E779-V831 HydrophobicContact CB-CG1 4.21Å; E779-V831 HydrophobicContact CG-CB 4.16Å; E779-V831 HydrophobicContact CG-CG1 3.88Å; E779-V831 WeakPolarHBondContact OE1-CB 3.36Å; E779-V831 WeakPolarHBondContact OE1-CG2 3.38Å
832	Q	91.3	Very high	92.1	Very high	54 Å²	54	42 Å²	42	25%	0.252	21%	0.214	S	C	.	.			trans	-82.2	130.4	172.9	-60.7	70.9	43.2	0	0	111.9	K750 Y751 S753 S830	K750-Q832 HydrophobicContact CB-CB 4.1Å; K750-Q832 WeakPolarHBondContact CD-O 3.26Å; Y751-Q832 HydrophobicContact CD2-CB 4.19Å; Y751-Q832 HydrophobicContact CD2-CG 4.05Å; Y751-Q832 HydrophobicContact CE2-CB 4.08Å; Y751-Q832 HydrophobicContact CE2-CG 4.05Å; Y751-Q832 WeakPolarHBondContact O-CB 3.27Å; Y751-Q832 WeakPolarHBondContact O-CG 3.44Å; S753-Q832 VanDerWaalsContact CB-NE2 3.27Å; S830-Q832 PolarHBondContact O-NE2 3.29Å; S830-Q832 VanDerWaalsContact O-NE2 3.07Å
833	K	92.6	Very high	91.8	Very high	86 Å²	86	43.6 Å²	43.6	37%	0.374	22%	0.222	S	C	.	.			trans	-110.3	-173.1	174.3	-65	-67.6	-173.8	168.6	0	110.4	K750 Y751 D777 G835	K750-K833 WeakPolarHBondContact CA-O 3.46Å; Y751-K833 WeakPolarHBondContact CD1-O 3.35Å; Y751-K833 HydrophobicContact CE1-CB 3.83Å; Y751-K833 VanDerWaalsContact CE1-N 3.34Å; Y751-K833 VanDerWaalsContact CE1-O 3.3Å; Y751-K833 WeakPolarHBondContact CE1-O 3.24Å; Y751-K833 VanDerWaalsContact CZ-N 3.35Å; Y751-K833 PolarHBondContact N-O 3.27Å; Y751-K833 VanDerWaalsContact N-O 3.13Å; Y751-K833 PolarHBondContact OH-N 3.44Å; D777-K833 WeakPolarHBondContact O-CB 3.49Å; K833-G835 VanDerWaalsContact C-N 3.26Å; K833-G835 PolarHBondContact O-N 2.62Å
834	K	90.1	Very high	91.5	Very high	100 Å²	100	45 Å²	45	44%	0.435	23%	0.231	S	C	.	.			trans	-64.3	-31.8	-179.3	-66.4	-179.9	175.3	-176.8	0	112.7	S744 W747 E775 D777	S744-K834 PolarHBondContact OG-O 3.11Å; W747-K834 HydrophobicContact CE3-CB 4.44Å; W747-K834 HydrophobicContact CZ3-CB 3.8Å; E775-K834 IonicContact OE1-NZ 2.8Å; D777-K834 HydrophobicContact CB-CB 4.31Å
835	G	92.6	Very high	91.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.3	-133.4	179.9	0	0	0	0	0	112.1	S744 Y751 I776 D777 K833	S744-G835 WeakPolarHBondContact OG-CA 3.4Å; Y751-G835 VanDerWaalsContact CD1-CA 3.41Å; I776-G835 CarbonylContact C-O 3.42Å; D777-G835 PolarHBondContact N-O 3.29Å; D777-G835 WeakPolarHBondContact O-CA 3.18Å; D777-G835 PolarHBondContact O-N 3.35Å; K833-G835 VanDerWaalsContact C-N 3.26Å; K833-G835 PolarHBondContact O-N 2.62Å
836	F	93.7	Very high	90.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.4	-176	69.8	-91.9	0	0	0	113.2	I742 T743 S744 W759 F773 E775 I776 I789 F825 A838	I742-F836 HydrophobicContact CD1-CE2 4.34Å; I742-F836 HydrophobicContact CG1-CE2 4.23Å; T743-F836 CarbonylContact C-O 3.27Å; T743-F836 VanDerWaalsContact CA-O 3.28Å; T743-F836 WeakPolarHBondContact CA-O 3.48Å; S744-F836 PolarHBondContact N-O 2.99Å; S744-F836 PolarHBondContact OG-N 2.84Å; S744-F836 PolarHBondContact OG-O 2.01Å; W759-F836 HydrophobicContact CH2-CE1 4.12Å; W759-F836 AromaticContact CH2-CZ 3.56Å; W759-F836 HydrophobicContact CH2-CZ 3.56Å; W759-F836 HydrophobicContact CZ2-CZ 4.02Å; W759-F836 HydrophobicContact CZ3-CE1 4.46Å; W759-F836 AromaticContact CZ3-CZ 3.84Å; W759-F836 HydrophobicContact CZ3-CZ 3.84Å; F773-F836 HydrophobicContact CD1-CB 4.21Å; F773-F836 HydrophobicContact CE1-CB 4.2Å; F773-F836 HydrophobicContact CE1-CD2 4.11Å; F773-F836 HydrophobicContact CE1-CG 4.23Å; E775-F836 VanDerWaalsContact O-CA 3.32Å; E775-F836 WeakPolarHBondContact O-CA 3.43Å; I776-F836 HydrophobicContact CG1-CB 4.33Å; I789-F836 HydrophobicContact CD1-CD1 4.02Å; I789-F836 HydrophobicContact CD1-CD2 4.23Å; I789-F836 HydrophobicContact CD1-CE1 3.64Å; I789-F836 HydrophobicContact CD1-CE2 3.86Å; I789-F836 HydrophobicContact CD1-CG 4.31Å; I789-F836 HydrophobicContact CD1-CZ 3.55Å; F825-F836 HydrophobicContact CB-CE1 4.03Å; F825-F836 HydrophobicContact CD2-CD1 4.34Å; F825-F836 AromaticContact CD2-CE1 3.93Å; F825-F836 HydrophobicContact CD2-CE1 3.93Å; F825-F836 AromaticContact CG-CE1 4Å; F825-F836 HydrophobicContact CG-CE1 4Å; F836-A838 HydrophobicContact CD2-CB 4.37Å
837	E	94.5	Very high	90.5	Very high	56 Å²	56	47.5 Å²	47.5	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.1	162.6	-176.6	-173	-90.9	0	0	107.6	V741 T743 W747 N774 E775	V741-E837 HydrophobicContact CG1-CG 3.35Å; T743-E837 HydrophobicContact CG2-CB 4.38Å; T743-E837 HydrophobicContact CG2-CG 4.07Å; W747-E837 HydrophobicContact CD2-CB 4.31Å; W747-E837 HydrophobicContact CH2-CB 4.45Å; W747-E837 HydrophobicContact CZ2-CB 3.73Å; W747-E837 PolarHBondContact NE1-OE1 2.79Å; N774-E837 HydrophobicContact CB-CB 4.44Å; N774-E837 HydrophobicContact CB-CG 4.34Å; N774-E837 WeakPolarHBondContact CB-O 3.47Å; N774-E837 WeakPolarHBondContact CB-OE2 3.39Å; N774-E837 PolarHBondContact N-O 2.91Å; N774-E837 PolarHBondContact ND2-OE2 2.85Å; E775-E837 PolarHBondContact N-O 2.89Å; E775-E837 VanDerWaalsContact N-O 3.12Å; E775-E837 PolarHBondContact O-N 3.23Å
838	A	93.8	Very high	90.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	178.4	0	0	0	0	0	110.6	V741 I742 I771 A772 F773 F836	V741-A838 CarbonylContact C-O 3.55Å; V741-A838 WeakPolarHBondContact CA-O 3.18Å; I742-A838 HydrophobicContact CD1-CB 4.35Å; I742-A838 HydrophobicContact CG1-CB 3.9Å; I742-A838 WeakPolarHBondContact CG1-O 3.37Å; I742-A838 PolarHBondContact N-O 3.19Å; I742-A838 PolarHBondContact O-N 2.89Å; I771-A838 HydrophobicContact CG2-CB 3.97Å; A772-A838 CarbonylContact O-C 3.55Å; A772-A838 VanDerWaalsContact O-CA 3.31Å; A772-A838 WeakPolarHBondContact O-CA 3.27Å; F773-A838 HydrophobicContact CD1-CB 3.81Å; F773-A838 HydrophobicContact CE1-CB 4.03Å; F773-A838 HydrophobicContact CG-CB 4.13Å; F836-A838 HydrophobicContact CD2-CB 4.37Å
839	S	95.8	Very high	90.3	Very high	31 Å²	31	52 Å²	52	22%	0.217	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.5	171.5	49.5	0	0	0	0	109.9	G740 I771 A772 N774	G740-S839 CarbonylContact O-C 3.28Å; G740-S839 WeakPolarHBondContact O-CA 3.49Å; I771-S839 WeakPolarHBondContact CA-O 3.43Å; A772-S839 PolarHBondContact N-O 3.08Å; A772-S839 PolarHBondContact O-N 3.28Å; A772-S839 PolarHBondContact O-OG 3.02Å; N774-S839 PolarHBondContact OD1-OG 2.88Å
840	H	94.4	Very high	90.2	Very high	7 Å²	7	47 Å²	47	3%	0.032	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.7	170.1	76.7	-87.8	0	0	0	110.3	V735 S737 S739 G740 L761 K770 I771	V735-H840 VanDerWaalsContact CG1-CE1 3.43Å; V735-H840 WeakPolarHBondContact CG1-CE1 3.38Å; V735-H840 WeakPolarHBondContact CG1-NE2 3.34Å; S737-H840 PolarHBondContact O-NE2 3.16Å; S737-H840 VanDerWaalsContact O-NE2 3.08Å; S737-H840 PolarHBondContact OG-CE1 2.81Å; S737-H840 PolarHBondContact OG-NE2 3.49Å; S739-H840 CarbonylContact C-O 3.53Å; S739-H840 WeakPolarHBondContact CA-O 3.41Å; G740-H840 VanDerWaalsContact C-ND1 3.35Å; G740-H840 WeakPolarHBondContact CA-CE1 3.3Å; G740-H840 PolarHBondContact N-CE1 2.81Å; G740-H840 PolarHBondContact N-O 3.19Å; G740-H840 PolarHBondContact O-N 2.7Å; G740-H840 PolarHBondContact O-ND1 2.87Å; L761-H840 HydrophobicContact CD2-CB 3.68Å; K770-H840 CarbonylContact O-C 3.54Å; K770-H840 VanDerWaalsContact O-CA 3.27Å; K770-H840 WeakPolarHBondContact O-CA 3.18Å; I771-H840 HydrophobicContact CD1-CB 3.34Å
841	T	93.2	Very high	90.4	Very high	51 Å²	51	48.3 Å²	48.3	31%	0.313	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.9	178.4	47.4	0	0	0	0	110.1	V738 K770	V738-T841 CarbonylContact O-C 3.53Å; K770-T841 PolarHBondContact N-O 2.7Å; K770-T841 PolarHBondContact O-N 2.88Å
842	A	90.8	Very high	90.4	Very high	24 Å²	24	50.9 Å²	50.9	20%	0.198	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122	169.5	0	0	0	0	0	109	V738 T763 R768 A861	V738-A842 HydrophobicContact CG1-CB 3.63Å; V738-A842 WeakPolarHBondContact O-CB 3.35Å; V738-A842 PolarHBondContact O-N 3.44Å; T763-A842 HydrophobicContact CG2-CB 4.5Å; T763-A842 WeakPolarHBondContact OG1-CB 3.36Å; R768-A842 CarbonylContact O-C 3.52Å; R768-A842 VanDerWaalsContact O-CA 3.32Å; R768-A842 WeakPolarHBondContact O-CA 3.39Å; A842-A861 HydrophobicContact CB-CB 3.6Å
843	E	88.6	Confident	90.1	Very high	58 Å²	58	56.1 Å²	56.1	27%	0.271	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.9	175.7	-74.8	-77.9	-178.6	0	0	109.1	R768 K770	R768-E843 PolarHBondContact N-O 3.44Å; R768-E843 PolarHBondContact O-N 3.34Å; K770-E843 HydrophobicContact CB-CG 3.55Å; K770-E843 HydrophobicContact CD-CG 3.65Å; K770-E843 WeakPolarHBondContact CD-OE1 3.25Å; K770-E843 HydrophobicContact CG-CG 4.31Å; K770-E843 IonicContact NZ-OE1 3.88Å; K770-E843 PolarHBondContact NZ-OE1 3.39Å
844	C	88.6	Confident	89.9	Confident	29 Å²	29	55 Å²	55	20%	0.196	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-80.3	170.3	175.9	66.4	0	0	0	0	111.9	R768 C874 W876	R768-C844 PolarHBondContact NH2-O 2.93Å; R768-C844 VanDerWaalsContact NH2-O 3.09Å; C844-C874 HydrophobicContact CB-CB 3.67Å; C844-C874 WeakPolarHBondContact CB-SG 3.44Å; C844-C874 VanDerWaalsContact SG-CA 3.51Å; C844-C874 WeakPolarHBondContact SG-CB 3.13Å; C844-C874 CovalentContact SG-SG 2.02Å; C844-C874 PolarHBondContact SG-SG 2.85Å; C844-W876 HydrophobicContact CB-CH2 4.31Å; C844-W876 HydrophobicContact CB-CZ2 3.77Å
845	G	85.4	Confident	89.9	Confident	2 Å²	2	53 Å²	53	2%	0.021	27%	0.265	C	S	.	.			trans	74.2	177.8	-178.2	0	0	0	0	0	114.7	R768 Q875 W876	R768-G845 PolarHBondContact NE-O 2.8Å; R768-G845 PolarHBondContact NH2-O 2.86Å; G845-Q875 CarbonylContact C-O 3.56Å; G845-Q875 WeakPolarHBondContact CA-O 3.42Å; G845-W876 VanDerWaalsContact CA-CD1 3.5Å; G845-W876 VanDerWaalsContact N-CE2 3.34Å; G845-W876 VanDerWaalsContact N-NE1 3.16Å
846	G	86.7	Confident	89.7	Confident	15 Å²	15	55.5 Å²	55.5	16%	0.155	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.8	-173.9	-178.8	0	0	0	0	0	113.6	Q875 W876 V877	G846-Q875 PolarHBondContact N-O 3.5Å; G846-W876 CarbonylContact O-C 3.53Å; G846-W876 WeakPolarHBondContact O-CA 3.43Å; G846-V877 PolarHBondContact O-N 3.1Å
847	R	87.3	Confident	89.5	Confident	217 Å²	217	55.5 Å²	55.5	82%	0.819	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.6	176.9	-66.5	-176.6	176.3	-169.3	-2.3	110	V877	R847-V877 CarbonylContact C-O 3.39Å; R847-V877 WeakPolarHBondContact CA-O 3.4Å; R847-V877 HydrophobicContact CG-CB 4.38Å
848	L	89.4	Confident	89.4	Confident	28 Å²	28	54.5 Å²	54.5	15%	0.147	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.6	-179.4	-56	178.6	0	0	0	109.7	L857 W876 V877 I878 S879 Y957	L848-L857 HydrophobicContact CD1-CD1 4.02Å; L848-L857 HydrophobicContact CD1-CD2 4.34Å; L848-W876 HydrophobicContact CD1-CB 4.42Å; L848-W876 HydrophobicContact CD1-CG 4.42Å; L848-V877 PolarHBondContact N-O 3.05Å; L848-I878 HydrophobicContact CB-CG1 4.16Å; L848-I878 HydrophobicContact CD1-CG1 4.25Å; L848-I878 WeakPolarHBondContact O-CA 3.29Å; L848-S879 PolarHBondContact O-N 3.15Å; L848-Y957 HydrophobicContact CD1-CE1 4.38Å
849	K	88.6	Confident	89.1	Confident	103 Å²	103	54.5 Å²	54.5	45%	0.448	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.8	177	-167	179.2	178.7	-169.9	0	110.5	K855 S879 E881	K849-K855 PolarHBondContact O-NZ 3.31Å; K849-S879 WeakPolarHBondContact CA-O 3.41Å; K849-E881 IonicContact NZ-OE1 2.78Å; K849-E881 PolarHBondContact NZ-OE1 3.04Å
850	A	87.9	Confident	88.9	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.008	27%	0.265	C	S	.	.			trans	-73	134.3	170.9	0	0	0	0	0	109.8	I878 S879 A880 V886 Y957	A850-I878 HydrophobicContact CB-CG2 3.86Å; A850-S879 PolarHBondContact N-O 2.64Å; A850-A880 HydrophobicContact CB-CB 4.32Å; A850-V886 HydrophobicContact CB-CG2 4.08Å; A850-Y957 HydrophobicContact CB-CD2 4.14Å
851	E	88.4	Confident	88.4	Confident	86 Å²	86	53.8 Å²	53.8	40%	0.402	27%	0.269	S	S	.	.			trans	-127.6	167.1	177.1	-75	168.3	-149.8	0	0	108.8	K853 K855 T958 S959	E851-K853 PolarHBondContact O-N 3.45Å; E851-K853 VanDerWaalsContact O-N 3.16Å; E851-K855 IonicContact OE1-NZ 2.75Å; E851-K855 PolarHBondContact OE1-NZ 2.77Å; E851-K855 IonicContact OE2-NZ 3.52Å; E851-T958 PolarHBondContact O-OG1 3.46Å; E851-S959 VanDerWaalsContact C-CB 3.49Å; E851-S959 PolarHBondContact O-N 3.42Å
852	V	84.5	Confident	88	Confident	120 Å²	120	55.6 Å²	55.6	73%	0.727	27%	0.274	S	S	*	.	S	Bend	trans	-58	-28.2	174.6	-177.2	0	0	0	0	111.5	T958	V852-T958 PolarHBondContact O-OG1 3.29Å
853	K	85.9	Confident	87.5	Confident	164 Å²	164	56.1 Å²	56.1	71%	0.713	27%	0.272	S	S	*	.	S	Bend	trans	-81.1	120.2	171.3	-173.2	179.1	-179.9	-178.5	0	109.4	E851 K855	E851-K853 PolarHBondContact O-N 3.45Å; E851-K853 VanDerWaalsContact O-N 3.16Å; K853-K855 PolarHBondContact O-N 3.26Å
854	T	87.9	Confident	86.8	Confident	64 Å²	64	56 Å²	56	39%	0.393	29%	0.286	S	S	.	.			trans	-55.4	134.6	174.4	-44.3	0	0	0	0	111.5	R956 Y957	T854-R956 HydrophobicContact CG2-CB 3.69Å; T854-R956 HydrophobicContact CG2-CG 4.05Å; T854-Y957 WeakPolarHBondContact CA-O 3.33Å
855	K	88.9	Confident	86.1	Confident	57 Å²	57	61.5 Å²	61.5	25%	0.248	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.4	177.5	-67.2	176.3	-174.1	174.2	0	110	K849 E851 K853 R956 Y957	K849-K855 PolarHBondContact O-NZ 3.31Å; E851-K855 IonicContact OE1-NZ 2.75Å; E851-K855 PolarHBondContact OE1-NZ 2.77Å; E851-K855 IonicContact OE2-NZ 3.52Å; K853-K855 PolarHBondContact O-N 3.26Å; K855-R956 CarbonylContact O-C 3.59Å; K855-R956 VanDerWaalsContact O-CA 3.32Å; K855-R956 WeakPolarHBondContact O-CA 3.29Å; K855-Y957 HydrophobicContact CB-CD1 4.26Å; K855-Y957 HydrophobicContact CB-CD2 4.42Å; K855-Y957 HydrophobicContact CB-CE1 3.65Å; K855-Y957 HydrophobicContact CB-CE2 3.85Å; K855-Y957 VanDerWaalsContact CB-CZ 3.42Å; K855-Y957 HydrophobicContact CD-CE2 3.94Å; K855-Y957 WeakPolarHBondContact CD-OH 3.27Å; K855-Y957 HydrophobicContact CG-CE2 4.44Å; K855-Y957 PolarHBondContact N-O 3.38Å; K855-Y957 WeakPolarHBondContact O-CD1 3.31Å; K855-Y957 PolarHBondContact O-N 2.99Å
856	D	89.2	Confident	85.9	Confident	52 Å²	52	65.3 Å²	65.3	28%	0.278	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.8	178.3	-57.8	-79.9	0	0	0	111.4	F858 H954 R956	D856-F858 HydrophobicContact CB-CE2 3.76Å; D856-F858 HydrophobicContact CB-CZ 3.89Å; D856-H954 IonicContact OD1-CD2 3.76Å; D856-H954 IonicContact OD1-CE1 3.97Å; D856-H954 PolarHBondContact OD1-CE1 2.94Å; D856-H954 IonicContact OD1-NE2 2.75Å; D856-H954 PolarHBondContact OD1-NE2 3.05Å; D856-R956 WeakPolarHBondContact OD1-CG 3.18Å; D856-R956 IonicContact OD1-CZ 2.83Å; D856-R956 IonicContact OD1-NE 3.75Å; D856-R956 PolarHBondContact OD1-NE 3.24Å; D856-R956 IonicContact OD1-NH2 3.89Å
857	L	90.5	Very high	86	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.6	171.9	173.4	62.7	0	0	0	108.3	L848 W876 I878 I940 V955 Y957	L848-L857 HydrophobicContact CD1-CD1 4.02Å; L848-L857 HydrophobicContact CD1-CD2 4.34Å; L857-W876 HydrophobicContact CD1-CD2 4.23Å; L857-W876 HydrophobicContact CD1-CG 4.21Å; L857-W876 HydrophobicContact CD1-CZ2 4.36Å; L857-W876 HydrophobicContact CD2-CB 4.44Å; L857-W876 HydrophobicContact CD2-CD2 4.32Å; L857-W876 HydrophobicContact CD2-CG 4.19Å; L857-I878 HydrophobicContact CD2-CD1 4.21Å; L857-I940 HydrophobicContact CD2-CD1 3.76Å; L857-V955 PolarHBondContact N-O 3.16Å; L857-V955 PolarHBondContact O-N 2.04Å; L857-V955 VanDerWaalsContact O-O 3.13Å; L857-Y957 HydrophobicContact CB-CD1 3.99Å; L857-Y957 HydrophobicContact CB-CE1 3.97Å
858	F	90.9	Very high	86	Confident	35 Å²	35	58.4 Å²	58.4	15%	0.154	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.2	179.3	-57.3	-83.9	0	0	0	109.9	T764 H767 D856 H860 F863 H954	T764-F858 HydrophobicContact CG2-CB 4.33Å; T764-F858 HydrophobicContact CG2-CD2 3.54Å; T764-F858 HydrophobicContact CG2-CE2 4.17Å; T764-F858 HydrophobicContact CG2-CG 4.16Å; H767-F858 PolarHBondContact CE1-O 3.19Å; D856-F858 HydrophobicContact CB-CE2 3.76Å; D856-F858 HydrophobicContact CB-CZ 3.89Å; F858-H860 VanDerWaalsContact C-N 3.26Å; F858-H860 PolarHBondContact O-N 3.46Å; F858-F863 HydrophobicContact CB-CB 3.94Å; F858-F863 HydrophobicContact CB-CG 4.23Å; F858-F863 HydrophobicContact CD1-CB 4.08Å; F858-F863 AromaticContact CD1-CD1 3.4Å; F858-F863 HydrophobicContact CD1-CD1 3.4Å; F858-F863 AromaticContact CD1-CE1 3.99Å; F858-F863 HydrophobicContact CD1-CE1 3.99Å; F858-F863 AromaticContact CD1-CG 3.8Å; F858-F863 HydrophobicContact CD1-CG 3.8Å; F858-F863 AromaticContact CE1-CD1 3.91Å; F858-F863 HydrophobicContact CE1-CD1 3.91Å; F858-F863 HydrophobicContact CE1-CE1 4.32Å; F858-F863 HydrophobicContact CG-CB 4.29Å; F858-F863 HydrophobicContact CG-CD1 4.39Å; F858-F863 HydrophobicContact CG-CG 4.43Å; F858-H954 HydrophobicContact CD1-CB 3.88Å; F858-H954 AromaticContact CD1-CD2 3.64Å; F858-H954 AromaticContact CD1-CG 3.8Å; F858-H954 HydrophobicContact CE1-CB 4.01Å; F858-H954 AromaticContact CE1-CD2 3.24Å; F858-H954 WeakPolarHBondContact CE1-CD2 3.45Å; F858-H954 AromaticContact CE1-CE1 3.95Å; F858-H954 AromaticContact CE1-CG 3.45Å; F858-H954 VanDerWaalsContact CE1-CG 3.45Å; F858-H954 AromaticContact CE1-ND1 3.89Å; F858-H954 AromaticContact CE1-NE2 3.6Å; F858-H954 AromaticContact CZ-CD2 3.76Å; F858-H954 AromaticContact CZ-NE2 3.74Å
859	S	89.1	Confident	85.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	32%	0.323	C	S	.	.	S	Bend	trans	-60.1	-35.1	176.7	50.3	0	0	0	0	113.7	F863 F953	S859-F863 WeakPolarHBondContact OG-CD2 3.43Å; S859-F953 PolarHBondContact N-O 3.13Å; S859-F953 PolarHBondContact OG-N 3.01Å; S859-F953 VanDerWaalsContact OG-N 3.09Å; S859-F953 PolarHBondContact OG-O 2.99Å
860	H	89.8	Confident	86	Confident	9 Å²	9	56.6 Å²	56.6	4%	0.042	31%	0.314	C	S	.	.	S	Bend	trans	-150.1	164.3	-179.9	66	-74.3	0	0	0	110.2	H767 F858 Q862 F863 N866 N867 Y868 P869 K951	H767-H860 VanDerWaalsContact NE2-CA 3.26Å; H767-H860 WeakPolarHBondContact NE2-CA 2.8Å; F858-H860 VanDerWaalsContact C-N 3.26Å; F858-H860 PolarHBondContact O-N 3.46Å; H860-Q862 PolarHBondContact O-N 3.44Å; H860-F863 PolarHBondContact CD2-N 3.21Å; H860-F863 VanDerWaalsContact CE1-CA 3.47Å; H860-F863 WeakPolarHBondContact CE1-CA 3.38Å; H860-F863 AromaticContact CE1-CD2 3.65Å; H860-F863 AromaticContact ND1-CD2 3.88Å; H860-F863 VanDerWaalsContact NE2-CA 3.34Å; H860-F863 WeakPolarHBondContact NE2-CA 3.25Å; H860-F863 PolarHBondContact NE2-N 3.09Å; H860-F863 WeakPolarHBondContact O-CB 3.32Å; H860-F863 PolarHBondContact O-N 3.45Å; H860-N866 PolarHBondContact NE2-O 2.83Å; H860-N866 VanDerWaalsContact NE2-O 3.14Å; H860-N867 PolarHBondContact NE2-O 2.84Å; H860-Y868 PolarHBondContact CE1-N 2.85Å; H860-P869 HydrophobicContact CB-CG 4.4Å; H860-K951 PolarHBondContact CE1-O 3.48Å
861	A	84.9	Confident	86	Confident	13 Å²	13	59.5 Å²	59.5	11%	0.107	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.7	-170.5	0	0	0	0	0	114.7	V738 T764 H767 A842	V738-A861 HydrophobicContact CB-CB 4.38Å; V738-A861 HydrophobicContact CG1-CB 3.41Å; V738-A861 VanDerWaalsContact CG1-CB 3.41Å; V738-A861 HydrophobicContact CG2-CB 4.06Å; T764-A861 PolarHBondContact OG1-O 3.03Å; H767-A861 PolarHBondContact NE2-N 2.92Å; A842-A861 HydrophobicContact CB-CB 3.6Å
862	Q	84.4	Confident	85.9	Confident	89 Å²	89	56.5 Å²	56.5	42%	0.416	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	20.6	175.8	-64.5	-175.5	-61	0	0	113.3	V738 H860 G864 D865 N866	V738-Q862 HydrophobicContact CB-CG 4.14Å; V738-Q862 HydrophobicContact CG1-CG 4.13Å; V738-Q862 HydrophobicContact CG2-CG 3.8Å; H860-Q862 PolarHBondContact O-N 3.44Å; Q862-G864 PolarHBondContact O-N 2.82Å; Q862-D865 PolarHBondContact O-N 2.9Å; Q862-N866 HydrophobicContact CB-CB 4.21Å; Q862-N866 PolarHBondContact NE2-ND2 3.05Å; Q862-N866 PolarHBondContact O-N 2.85Å; Q862-N866 VanDerWaalsContact O-N 3.11Å; Q862-N866 PolarHBondContact OE1-ND2 2.82Å
863	F	80.8	Confident	86.2	Confident	35 Å²	35	56 Å²	56	15%	0.154	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-57.6	120.8	-176.9	-176.2	-85.5	0	0	0	111.8	F858 S859 H860 T892 K951 F953 H954	F858-F863 HydrophobicContact CB-CB 3.94Å; F858-F863 HydrophobicContact CB-CG 4.23Å; F858-F863 HydrophobicContact CD1-CB 4.08Å; F858-F863 AromaticContact CD1-CD1 3.4Å; F858-F863 HydrophobicContact CD1-CD1 3.4Å; F858-F863 AromaticContact CD1-CE1 3.99Å; F858-F863 HydrophobicContact CD1-CE1 3.99Å; F858-F863 AromaticContact CD1-CG 3.8Å; F858-F863 HydrophobicContact CD1-CG 3.8Å; F858-F863 AromaticContact CE1-CD1 3.91Å; F858-F863 HydrophobicContact CE1-CD1 3.91Å; F858-F863 HydrophobicContact CE1-CE1 4.32Å; F858-F863 HydrophobicContact CG-CB 4.29Å; F858-F863 HydrophobicContact CG-CD1 4.39Å; F858-F863 HydrophobicContact CG-CG 4.43Å; S859-F863 WeakPolarHBondContact OG-CD2 3.43Å; H860-F863 PolarHBondContact CD2-N 3.21Å; H860-F863 VanDerWaalsContact CE1-CA 3.47Å; H860-F863 WeakPolarHBondContact CE1-CA 3.38Å; H860-F863 AromaticContact CE1-CD2 3.65Å; H860-F863 AromaticContact ND1-CD2 3.88Å; H860-F863 VanDerWaalsContact NE2-CA 3.34Å; H860-F863 WeakPolarHBondContact NE2-CA 3.25Å; H860-F863 PolarHBondContact NE2-N 3.09Å; H860-F863 WeakPolarHBondContact O-CB 3.32Å; H860-F863 PolarHBondContact O-N 3.45Å; F863-T892 HydrophobicContact CZ-CG2 4.07Å; F863-K951 WeakPolarHBondContact CD2-O 3.39Å; F863-K951 HydrophobicContact CE2-CG 4.23Å; F863-K951 WeakPolarHBondContact CE2-O 3.45Å; F863-K951 HydrophobicContact CZ-CG 4.36Å; F863-F953 VanDerWaalsContact CE2-C 3.45Å; F863-F953 WeakPolarHBondContact CE2-O 3.3Å; F863-H954 HydrophobicContact CD1-CB 4.43Å; F863-H954 HydrophobicContact CE1-CB 3.64Å; F863-H954 HydrophobicContact CE2-CB 4.49Å; F863-H954 HydrophobicContact CZ-CB 3.68Å
864	G	73.5	Confident	86.5	Confident	56 Å²	56	48.4 Å²	48.4	58%	0.577	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.4	-30.1	-178	0	0	0	0	0	114	Q862	Q862-G864 PolarHBondContact O-N 2.82Å
865	D	73.4	Confident	86.8	Confident	145 Å²	145	49.4 Å²	49.4	78%	0.775	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-34.1	175	-63.7	-38.6	0	0	0	111.4	Q862	Q862-D865 PolarHBondContact O-N 2.9Å
866	N	82.6	Confident	87	Confident	81 Å²	81	46.7 Å²	46.7	43%	0.433	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-136.3	170.1	-179.8	-68.5	-39.4	0	0	0	111.8	H860 Q862	H860-N866 PolarHBondContact NE2-O 2.83Å; H860-N866 VanDerWaalsContact NE2-O 3.14Å; Q862-N866 HydrophobicContact CB-CB 4.21Å; Q862-N866 PolarHBondContact NE2-ND2 3.05Å; Q862-N866 PolarHBondContact O-N 2.85Å; Q862-N866 VanDerWaalsContact O-N 3.11Å; Q862-N866 PolarHBondContact OE1-ND2 2.82Å
867	N	87.3	Confident	87.2	Confident	86 Å²	86	45.1 Å²	45.1	46%	0.46	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-77.6	160.9	166.5	-72.9	-9	0	0	0	110.7	H860 N949 K950 K951	H860-N867 PolarHBondContact NE2-O 2.84Å; N867-N949 HydrophobicContact CB-CB 4.11Å; N867-N949 PolarHBondContact ND2-O 3.4Å; N867-K950 CarbonylContact C-O 3.57Å; N867-K950 WeakPolarHBondContact CA-O 3.07Å; N867-K950 WeakPolarHBondContact CB-O 3.47Å; N867-K950 VanDerWaalsContact CG-C 3.44Å; N867-K951 PolarHBondContact OD1-N 2.66Å
868	Y	87.8	Confident	87.3	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.008	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62.2	148.4	179.5	55.3	-99.3	0	0	0	111.8	H860 E896 D904 F942 N949 K950 G952	H860-Y868 PolarHBondContact CE1-N 2.85Å; Y868-E896 PolarHBondContact OH-N 3.07Å; Y868-E896 VanDerWaalsContact OH-N 3.15Å; Y868-D904 WeakPolarHBondContact CE2-OD2 3.37Å; Y868-D904 PolarHBondContact OH-OD2 2.89Å; Y868-F942 HydrophobicContact CD1-CZ 4.07Å; Y868-F942 HydrophobicContact CD2-CE1 4.3Å; Y868-F942 AromaticContact CD2-CZ 3.75Å; Y868-F942 HydrophobicContact CD2-CZ 3.75Å; Y868-F942 HydrophobicContact CE1-CZ 4.35Å; Y868-F942 HydrophobicContact CE2-CZ 4.06Å; Y868-F942 HydrophobicContact CG-CE1 4.22Å; Y868-F942 AromaticContact CG-CZ 3.77Å; Y868-F942 HydrophobicContact CG-CZ 3.77Å; Y868-N949 HydrophobicContact CD2-CB 3.99Å; Y868-N949 HydrophobicContact CE2-CB 3.87Å; Y868-N949 WeakPolarHBondContact O-CB 3.35Å; Y868-N949 VanDerWaalsContact O-CG 3.31Å; Y868-K950 WeakPolarHBondContact CD1-O 3.36Å; Y868-K950 HydrophobicContact CE1-CB 3.82Å; Y868-K950 VanDerWaalsContact CE1-O 3.24Å; Y868-K950 WeakPolarHBondContact CE1-O 3.41Å; Y868-K950 VanDerWaalsContact CZ-N 3.29Å; Y868-K950 PolarHBondContact N-O 3.43Å; Y868-K950 PolarHBondContact OH-N 2.94Å; Y868-G952 VanDerWaalsContact CD1-CA 3.44Å
869	P	88.1	Confident	87.3	Confident	67 Å²	67	45.6 Å²	45.6	44%	0.435	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-66.7	144.3	175.2	24.8	-30.4	0	0	0	111.5	H860 S872 S944	H860-P869 HydrophobicContact CB-CG 4.4Å; P869-S872 WeakPolarHBondContact CG-OG 3.15Å; P869-S872 PolarHBondContact O-OG 2.93Å; P869-S944 PolarHBondContact O-OG 2.76Å
870	G	89.1	Confident	87.4	Confident	25 Å²	25	46 Å²	46	26%	0.258	28%	0.28	S	S	.	.	S	Bend	trans	-68	168.8	168.8	0	0	0	0	0	112.4	S872 D945 N949	G870-S872 PolarHBondContact O-N 3.4Å; G870-S872 VanDerWaalsContact O-N 3.14Å; G870-S872 PolarHBondContact O-OG 3.14Å; G870-S872 VanDerWaalsContact O-OG 3.08Å; G870-D945 CarbonylContact C-O 3.57Å; G870-D945 WeakPolarHBondContact CA-O 3.38Å; G870-N949 WeakPolarHBondContact CA-ND2 3.29Å; G870-N949 PolarHBondContact N-ND2 3.08Å
871	A	88.2	Confident	87.3	Confident	63 Å²	63	51 Å²	51	52%	0.521	30%	0.303	S	S	.	.	S	Bend	trans	53.9	30.8	177.5	0	0	0	0	0	114.8	S944 D945 D946	A871-S944 CarbonylContact C-O 3.47Å; A871-S944 WeakPolarHBondContact CA-O 3.24Å; A871-S944 PolarHBondContact N-O 3.27Å; A871-S944 PolarHBondContact N-OG 2.9Å; A871-D945 PolarHBondContact N-O 3.39Å; A871-D946 VanDerWaalsContact CB-OD1 3.3Å; A871-D946 WeakPolarHBondContact CB-OD1 3.19Å
872	S	87.4	Confident	87.2	Confident	23 Å²	23	59.9 Å²	59.9	16%	0.161	34%	0.339	C	S	.	.			trans	-103.9	122.3	-170.7	-65.6	0	0	0	0	111.8	P869 G870 H943 S944	P869-S872 WeakPolarHBondContact CG-OG 3.15Å; P869-S872 PolarHBondContact O-OG 2.93Å; G870-S872 PolarHBondContact O-N 3.4Å; G870-S872 VanDerWaalsContact O-N 3.14Å; G870-S872 PolarHBondContact O-OG 3.14Å; G870-S872 VanDerWaalsContact O-OG 3.08Å; S872-H943 CarbonylContact O-C 3.55Å; S872-H943 VanDerWaalsContact O-CA 3.3Å; S872-H943 WeakPolarHBondContact O-CA 3.49Å; S872-S944 WeakPolarHBondContact CB-OG 3.42Å; S872-S944 PolarHBondContact N-O 2.97Å; S872-S944 PolarHBondContact N-OG 2.78Å; S872-S944 PolarHBondContact O-N 2.55Å
873	D	91.1	Very high	87	Confident	110 Å²	110	57.5 Å²	57.5	59%	0.588	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	98.6	174.7	-82.7	-68.6	0	0	0	110.6	H943	D873-H943 IonicContact OD1-CE1 2.68Å; D873-H943 IonicContact OD1-CG 3.95Å; D873-H943 IonicContact OD1-ND1 3.38Å; D873-H943 PolarHBondContact OD1-ND1 3.26Å; D873-H943 IonicContact OD2-CE1 2.85Å; D873-H943 IonicContact OD2-ND1 3.99Å
874	C	91.9	Very high	87.2	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.1	-176.7	-55.7	0	0	0	0	111.4	C844 W876 K941 F942	C844-C874 HydrophobicContact CB-CB 3.67Å; C844-C874 WeakPolarHBondContact CB-SG 3.44Å; C844-C874 VanDerWaalsContact SG-CA 3.51Å; C844-C874 WeakPolarHBondContact SG-CB 3.13Å; C844-C874 CovalentContact SG-SG 2.02Å; C844-C874 PolarHBondContact SG-SG 2.85Å; C874-W876 HydrophobicContact CB-CE3 4.18Å; C874-W876 HydrophobicContact CB-CH2 3.25Å; C874-W876 HydrophobicContact CB-CZ2 3.88Å; C874-W876 HydrophobicContact CB-CZ3 3.41Å; C874-W876 VanDerWaalsContact CB-CZ3 3.41Å; C874-K941 CarbonylContact O-C 3.39Å; C874-K941 WeakPolarHBondContact O-CA 3.43Å; C874-F942 HydrophobicContact CB-CB 4.27Å; C874-F942 PolarHBondContact N-O 2.87Å; C874-F942 PolarHBondContact O-N 3.47Å
875	Q	92.9	Very high	87.9	Confident	85 Å²	85	57 Å²	57	40%	0.397	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	116.6	176.2	-173.4	-177.2	-33.5	0	0	111.7	G845 G846 V939 I940	G845-Q875 CarbonylContact C-O 3.56Å; G845-Q875 WeakPolarHBondContact CA-O 3.42Å; G846-Q875 PolarHBondContact N-O 3.5Å; Q875-V939 HydrophobicContact CG-CG1 3.82Å; Q875-I940 CarbonylContact C-O 3.59Å; Q875-I940 WeakPolarHBondContact CA-O 3.42Å
876	W	93.6	Very high	88.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137	174.2	-59.3	-91.2	0	0	0	110.8	G766 C844 G845 G846 L848 L857 C874 V939 I940 F942 F953	G766-W876 PolarHBondContact O-NE1 2.86Å; C844-W876 HydrophobicContact CB-CH2 4.31Å; C844-W876 HydrophobicContact CB-CZ2 3.77Å; G845-W876 VanDerWaalsContact CA-CD1 3.5Å; G845-W876 VanDerWaalsContact N-CE2 3.34Å; G845-W876 VanDerWaalsContact N-NE1 3.16Å; G846-W876 CarbonylContact O-C 3.53Å; G846-W876 WeakPolarHBondContact O-CA 3.43Å; L848-W876 HydrophobicContact CD1-CB 4.42Å; L848-W876 HydrophobicContact CD1-CG 4.42Å; L857-W876 HydrophobicContact CD1-CD2 4.23Å; L857-W876 HydrophobicContact CD1-CG 4.21Å; L857-W876 HydrophobicContact CD1-CZ2 4.36Å; L857-W876 HydrophobicContact CD2-CB 4.44Å; L857-W876 HydrophobicContact CD2-CD2 4.32Å; L857-W876 HydrophobicContact CD2-CG 4.19Å; C874-W876 HydrophobicContact CB-CE3 4.18Å; C874-W876 HydrophobicContact CB-CH2 3.25Å; C874-W876 HydrophobicContact CB-CZ2 3.88Å; C874-W876 HydrophobicContact CB-CZ3 3.41Å; C874-W876 VanDerWaalsContact CB-CZ3 3.41Å; W876-V939 CarbonylContact O-C 3.45Å; W876-V939 WeakPolarHBondContact O-CA 3.26Å; W876-I940 HydrophobicContact CB-CB 4.43Å; W876-I940 HydrophobicContact CE3-CB 4.19Å; W876-I940 HydrophobicContact CE3-CG2 4.11Å; W876-I940 HydrophobicContact CZ3-CG2 4.48Å; W876-I940 PolarHBondContact N-O 2.96Å; W876-I940 PolarHBondContact O-N 3.33Å; W876-F942 HydrophobicContact CH2-CB 4.44Å; W876-F942 HydrophobicContact CZ3-CB 3.88Å; W876-F953 HydrophobicContact CH2-CZ 4.08Å; W876-F953 AromaticContact CZ3-CZ 3.82Å; W876-F953 HydrophobicContact CZ3-CZ 3.82Å
877	V	93.5	Very high	89.2	Confident	18 Å²	18	47.7 Å²	47.7	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.8	171.1	-172.9	0	0	0	0	107.6	G846 R847 L848 V939	G846-V877 PolarHBondContact O-N 3.1Å; R847-V877 CarbonylContact C-O 3.39Å; R847-V877 WeakPolarHBondContact CA-O 3.4Å; R847-V877 HydrophobicContact CG-CB 4.38Å; L848-V877 PolarHBondContact N-O 3.05Å; V877-V939 HydrophobicContact CG1-CG2 4.37Å; V877-V939 HydrophobicContact CG2-CG2 4.19Å
878	I	92.5	Very high	89.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.2	179.2	-55.2	172.9	0	0	0	107.7	L848 A850 L857 V886 L888 S937 I938 I940 Y957	L848-I878 HydrophobicContact CB-CG1 4.16Å; L848-I878 HydrophobicContact CD1-CG1 4.25Å; L848-I878 WeakPolarHBondContact O-CA 3.29Å; A850-I878 HydrophobicContact CB-CG2 3.86Å; L857-I878 HydrophobicContact CD2-CD1 4.21Å; I878-V886 HydrophobicContact CB-CG1 4.31Å; I878-V886 HydrophobicContact CG2-CG1 3.72Å; I878-V886 HydrophobicContact CG2-CG2 4.12Å; I878-L888 HydrophobicContact CD1-CD2 3.94Å; I878-S937 CarbonylContact O-C 3.53Å; I878-S937 WeakPolarHBondContact O-CA 2.86Å; I878-I938 PolarHBondContact N-O 3.32Å; I878-I938 PolarHBondContact O-N 3.01Å; I878-I940 HydrophobicContact CD1-CD1 3.83Å; I878-I940 HydrophobicContact CD1-CG1 4.41Å; I878-Y957 HydrophobicContact CD1-CD1 4.25Å; I878-Y957 HydrophobicContact CD1-CD2 4.37Å; I878-Y957 HydrophobicContact CD1-CG 3.99Å; I878-Y957 HydrophobicContact CG2-CD2 3.64Å; I878-Y957 HydrophobicContact CG2-CE2 4.1Å; I878-Y957 HydrophobicContact CG2-CG 4.27Å
879	S	92.1	Very high	89.4	Confident	45 Å²	45	45.2 Å²	45.2	32%	0.315	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.8	179.7	-51.9	0	0	0	0	111.6	L848 K849 A850 D936	L848-S879 PolarHBondContact O-N 3.15Å; K849-S879 WeakPolarHBondContact CA-O 3.41Å; A850-S879 PolarHBondContact N-O 2.64Å; S879-D936 CarbonylContact C-O 3.54Å; S879-D936 WeakPolarHBondContact CA-O 3.47Å
880	A	90.3	Very high	89.5	Confident	11 Å²	11	43.8 Å²	43.8	9%	0.091	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-94.6	171.6	172.3	0	0	0	0	0	111.3	A850 V886 D936	A850-A880 HydrophobicContact CB-CB 4.32Å; A880-V886 HydrophobicContact CB-CG2 3.95Å; A880-D936 PolarHBondContact N-O 2.88Å
881	E	88.4	Confident	89.4	Confident	112 Å²	112	46.9 Å²	46.9	52%	0.523	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-73	151.4	171.2	-65.9	-169.3	166.9	0	0	111.1	K849 G883 Y884	K849-E881 IonicContact NZ-OE1 2.78Å; K849-E881 PolarHBondContact NZ-OE1 3.04Å; E881-G883 PolarHBondContact O-N 2.95Å; E881-Y884 WeakPolarHBondContact O-CB 3.35Å; E881-Y884 PolarHBondContact O-N 3.15Å
882	K	81.4	Confident	89.3	Confident	200 Å²	200	45.6 Å²	45.6	87%	0.87	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	123.4	-177.5	-171.3	177.6	-178.7	178.3	0	111
883	G	80.6	Confident	89.4	Confident	39 Å²	39	45.1 Å²	45.1	40%	0.402	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	6.6	-175.8	0	0	0	0	0	114.8	E881 F962	E881-G883 PolarHBondContact O-N 2.95Å; G883-F962 VanDerWaalsContact C-CE2 3.48Å; G883-F962 WeakPolarHBondContact O-CD2 3.1Å
884	Y	86.6	Confident	89.3	Confident	81 Å²	81	44 Å²	44	32%	0.318	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.4	173.2	-68.1	-107.2	0	0	0	110.2	E881 D936 S959 T960 K961 F962	E881-Y884 WeakPolarHBondContact O-CB 3.35Å; E881-Y884 PolarHBondContact O-N 3.15Å; Y884-D936 WeakPolarHBondContact O-CA 3.5Å; Y884-S959 VanDerWaalsContact CB-OG 3.28Å; Y884-S959 WeakPolarHBondContact CB-OG 3.28Å; Y884-T960 CarbonylContact C-O 3.57Å; Y884-T960 VanDerWaalsContact CA-O 3.22Å; Y884-T960 WeakPolarHBondContact CA-O 3.28Å; Y884-T960 VanDerWaalsContact CB-O 3.3Å; Y884-T960 WeakPolarHBondContact CB-O 3.1Å; Y884-T960 WeakPolarHBondContact CD1-O 3Å; Y884-K961 VanDerWaalsContact CD1-CA 3.46Å; Y884-K961 HydrophobicContact CD1-CB 3.91Å; Y884-K961 HydrophobicContact CD1-CG 4.4Å; Y884-K961 HydrophobicContact CE1-CB 3.67Å; Y884-K961 HydrophobicContact CE1-CG 4.01Å; Y884-F962 VanDerWaalsContact C-CE2 3.5Å; Y884-F962 WeakPolarHBondContact O-CE2 3.03Å; Y884-F962 WeakPolarHBondContact O-CZ 3.38Å
885	G	87.8	Confident	89.2	Confident	1 Å²	1	44 Å²	44	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	176.2	169.4	0	0	0	0	0	112.5	S933 S959 T960	G885-S933 WeakPolarHBondContact CA-OG 3.21Å; G885-S959 WeakPolarHBondContact O-CA 3.4Å; G885-T960 PolarHBondContact N-O 3.42Å; G885-T960 PolarHBondContact O-N 3.4Å
886	V	91	Very high	89.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.1	174.9	-178.2	0	0	0	0	108.1	A850 I878 A880 L888 S933 I938	A850-V886 HydrophobicContact CB-CG2 4.08Å; I878-V886 HydrophobicContact CB-CG1 4.31Å; I878-V886 HydrophobicContact CG2-CG1 3.72Å; I878-V886 HydrophobicContact CG2-CG2 4.12Å; A880-V886 HydrophobicContact CB-CG2 3.95Å; V886-L888 HydrophobicContact CG1-CD2 3.96Å; V886-S933 PolarHBondContact N-OG 2.59Å; V886-S933 PolarHBondContact O-N 3.41Å; V886-S933 PolarHBondContact O-OG 3.07Å; V886-I938 HydrophobicContact CB-CD1 4.11Å; V886-I938 HydrophobicContact CB-CG1 4.3Å; V886-I938 HydrophobicContact CG1-CD1 4.21Å
887	E	90.9	Very high	89	Confident	29 Å²	29	48.4 Å²	48.4	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.2	171.9	173.3	-178.7	-136.3	0	0	108.9	I889 I931 Y932 Y957 T958 T960	E887-I889 HydrophobicContact CG-CD1 4.45Å; E887-I889 HydrophobicContact CG-CG1 4.08Å; E887-I931 WeakPolarHBondContact CA-O 3.31Å; E887-Y932 HydrophobicContact CB-CD1 3.97Å; E887-Y932 HydrophobicContact CB-CE1 3.92Å; E887-Y932 VanDerWaalsContact CD-CE1 3.46Å; E887-Y932 HydrophobicContact CG-CD1 3.99Å; E887-Y932 HydrophobicContact CG-CE1 3.51Å; E887-Y932 WeakPolarHBondContact OE1-CE1 3.2Å; E887-Y932 PolarHBondContact OE1-OH 3.21Å; E887-Y957 VanDerWaalsContact O-CA 3.26Å; E887-Y957 WeakPolarHBondContact O-CA 3.27Å; E887-T958 HydrophobicContact CB-CG2 3.92Å; E887-T958 HydrophobicContact CG-CG2 4.28Å; E887-T958 PolarHBondContact N-O 3.27Å; E887-T958 PolarHBondContact O-N 2.03Å; E887-T958 WeakPolarHBondContact OE2-CG2 3.41Å; E887-T960 HydrophobicContact CB-CG2 3.67Å; E887-T960 HydrophobicContact CG-CG2 4.41Å; E887-T960 WeakPolarHBondContact OE2-CG2 3.34Å
888	L	91.4	Very high	88.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.7	175.3	-58.1	-174.5	0	0	0	110.6	I878 V886 F890 L908 I931 I938 I940 V955 R956	I878-L888 HydrophobicContact CD1-CD2 3.94Å; V886-L888 HydrophobicContact CG1-CD2 3.96Å; L888-F890 HydrophobicContact CB-CE2 4.2Å; L888-L908 HydrophobicContact CD1-CD1 4.37Å; L888-L908 HydrophobicContact CD1-CD2 4.06Å; L888-I931 HydrophobicContact CB-CB 4.35Å; L888-I931 PolarHBondContact N-O 2.88Å; L888-I931 PolarHBondContact O-N 3.41Å; L888-I931 VanDerWaalsContact O-N 3.1Å; L888-I938 HydrophobicContact CD1-CD1 4.1Å; L888-I938 HydrophobicContact CD1-CG2 3.99Å; L888-I938 HydrophobicContact CG-CD1 4.04Å; L888-I940 HydrophobicContact CD1-CD1 3.87Å; L888-I940 HydrophobicContact CD1-CG1 4.29Å; L888-I940 HydrophobicContact CD2-CD1 4.39Å; L888-V955 HydrophobicContact CB-CG1 3.99Å; L888-V955 HydrophobicContact CD2-CG1 3.93Å; L888-V955 HydrophobicContact CG-CG1 4.39Å; L888-R956 WeakPolarHBondContact CA-O 3.07Å
889	I	89.1	Confident	88.4	Confident	37 Å²	37	54.5 Å²	54.5	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.7	-179.2	-52.9	168.2	0	0	0	107.9	E887 R956	E887-I889 HydrophobicContact CG-CD1 4.45Å; E887-I889 HydrophobicContact CG-CG1 4.08Å; I889-R956 HydrophobicContact CB-CB 4.18Å; I889-R956 PolarHBondContact N-O 2.89Å; I889-R956 PolarHBondContact O-N 2.83Å
890	F	89	Confident	88.1	Confident	37 Å²	37	58.8 Å²	58.8	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.7	179	-69.8	-94.7	0	0	0	110.2	L888 F893 M906 L908 P927 I931 V955	L888-F890 HydrophobicContact CB-CE2 4.2Å; F890-F893 AromaticContact CD1-CD2 3.73Å; F890-F893 HydrophobicContact CD1-CD2 3.73Å; F890-F893 AromaticContact CE1-CD2 3.8Å; F890-F893 HydrophobicContact CE1-CD2 3.8Å; F890-F893 HydrophobicContact CE1-CE2 4.16Å; F890-M906 HydrophobicContact CE1-CE 3.54Å; F890-M906 HydrophobicContact CE1-SD 3.77Å; F890-M906 HydrophobicContact CZ-CE 3.48Å; F890-M906 VanDerWaalsContact CZ-CE 3.48Å; F890-M906 HydrophobicContact CZ-SD 4.03Å; F890-L908 HydrophobicContact CZ-CD1 4.23Å; F890-P927 HydrophobicContact CD1-CG 4.13Å; F890-P927 HydrophobicContact CD2-CG 3.85Å; F890-P927 HydrophobicContact CE1-CG 4.18Å; F890-P927 HydrophobicContact CE2-CG 3.92Å; F890-P927 HydrophobicContact CG-CG 3.99Å; F890-P927 HydrophobicContact CZ-CG 4.1Å; F890-I931 HydrophobicContact CE2-CD1 3.94Å; F890-I931 HydrophobicContact CE2-CG1 4.4Å; F890-V955 HydrophobicContact CD1-CG2 3.41Å; F890-V955 VanDerWaalsContact CD1-CG2 3.41Å; F890-V955 HydrophobicContact CE1-CG2 3.2Å; F890-V955 HydrophobicContact CG-CG2 4.16Å; F890-V955 HydrophobicContact CZ-CG2 3.81Å
891	Q	87.4	Confident	88	Confident	90 Å²	90	59.2 Å²	59.2	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-32.6	174.7	-63.1	-64.2	-75.6	0	0	111.4	H954 R956	Q891-H954 HydrophobicContact CB-CB 4.44Å; Q891-H954 WeakPolarHBondContact CB-ND1 3.36Å; Q891-H954 PolarHBondContact N-O 2.81Å; Q891-R956 HydrophobicContact CG-CG 4.21Å
892	T	85.6	Confident	87.9	Confident	35 Å²	35	55.7 Å²	55.7	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	139.4	176.5	-58.7	0	0	0	0	107.9	F863 E894 K951 F953 H954	F863-T892 HydrophobicContact CZ-CG2 4.07Å; T892-E894 HydrophobicContact CG2-CG 4.42Å; T892-K951 HydrophobicContact CG2-CD 4.18Å; T892-F953 CarbonylContact O-C 3.48Å; T892-F953 WeakPolarHBondContact O-CA 3.46Å; T892-F953 WeakPolarHBondContact O-CB 3.46Å; T892-H954 PolarHBondContact N-O 3.44Å; T892-H954 PolarHBondContact O-N 3.27Å
893	F	89.9	Confident	88.3	Confident	14 Å²	14	51.9 Å²	51.9	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	106.6	173.6	-167.1	-73.1	0	0	0	109	F890 I895 M906 G924 S925 G926 F953	F890-F893 AromaticContact CD1-CD2 3.73Å; F890-F893 HydrophobicContact CD1-CD2 3.73Å; F890-F893 AromaticContact CE1-CD2 3.8Å; F890-F893 HydrophobicContact CE1-CD2 3.8Å; F890-F893 HydrophobicContact CE1-CE2 4.16Å; F893-I895 HydrophobicContact CD1-CD1 4.39Å; F893-I895 HydrophobicContact CD1-CG1 4.17Å; F893-I895 HydrophobicContact CE1-CB 3.94Å; F893-I895 HydrophobicContact CE1-CD1 3.58Å; F893-I895 HydrophobicContact CE1-CG1 3.69Å; F893-I895 HydrophobicContact CE2-CD1 3.76Å; F893-I895 HydrophobicContact CE2-CG1 4.48Å; F893-I895 HydrophobicContact CZ-CB 4.46Å; F893-I895 HydrophobicContact CZ-CD1 3.22Å; F893-I895 HydrophobicContact CZ-CG1 3.88Å; F893-M906 HydrophobicContact CD2-CE 4.34Å; F893-M906 HydrophobicContact CE2-CB 4.02Å; F893-M906 HydrophobicContact CE2-CE 3.48Å; F893-M906 VanDerWaalsContact CE2-CE 3.48Å; F893-M906 HydrophobicContact CE2-SD 3.77Å; F893-M906 HydrophobicContact CZ-CB 4.07Å; F893-M906 HydrophobicContact CZ-CE 4.23Å; F893-G924 WeakPolarHBondContact CD1-O 3.2Å; F893-S925 CarbonylContact O-C 3.6Å; F893-S925 WeakPolarHBondContact O-CA 3.42Å; F893-G926 VanDerWaalsContact CD1-N 3.32Å; F893-G926 VanDerWaalsContact CG-CA 3.43Å; F893-F953 HydrophobicContact CD2-CB 3.74Å; F893-F953 HydrophobicContact CE2-CB 4.3Å; F893-F953 HydrophobicContact CG-CB 4.35Å
894	E	89.1	Confident	88.9	Confident	87 Å²	87	50.1 Å²	50.1	41%	0.407	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	89.3	178.9	-68.3	175.8	-140.3	0	0	107.5	T892 G924 K950 K951 G952	T892-E894 HydrophobicContact CG2-CG 4.42Å; E894-G924 WeakPolarHBondContact CA-O 3.18Å; E894-K950 HydrophobicContact CB-CB 4.49Å; E894-K950 WeakPolarHBondContact O-CB 3.2Å; E894-K951 HydrophobicContact CB-CB 4.06Å; E894-G952 PolarHBondContact N-O 3.12Å; E894-G952 VanDerWaalsContact O-CA 3.28Å; E894-G952 WeakPolarHBondContact O-CA 3.36Å; E894-G952 PolarHBondContact O-N 2.88Å
895	I	91	Very high	89.2	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.253	C	S	.	.			trans	-108.6	159.1	173.7	-60.3	-178.4	0	0	0	107.3	F893 E897 D904 M906 C923 G924 F942 F953	F893-I895 HydrophobicContact CD1-CD1 4.39Å; F893-I895 HydrophobicContact CD1-CG1 4.17Å; F893-I895 HydrophobicContact CE1-CB 3.94Å; F893-I895 HydrophobicContact CE1-CD1 3.58Å; F893-I895 HydrophobicContact CE1-CG1 3.69Å; F893-I895 HydrophobicContact CE2-CD1 3.76Å; F893-I895 HydrophobicContact CE2-CG1 4.48Å; F893-I895 HydrophobicContact CZ-CB 4.46Å; F893-I895 HydrophobicContact CZ-CD1 3.22Å; F893-I895 HydrophobicContact CZ-CG1 3.88Å; I895-E897 PolarHBondContact O-N 2.8Å; I895-D904 HydrophobicContact CG2-CB 3.4Å; I895-D904 WeakPolarHBondContact CG2-O 3.18Å; I895-M906 HydrophobicContact CD1-CB 3.98Å; I895-C923 HydrophobicContact CG2-CB 4.38Å; I895-G924 PolarHBondContact N-O 3.46Å; I895-G924 CarbonylContact O-C 3.51Å; I895-G924 WeakPolarHBondContact O-CA 3.44Å; I895-G924 PolarHBondContact O-N 3.07Å; I895-G924 VanDerWaalsContact O-N 3.14Å; I895-F942 HydrophobicContact CD1-CD2 4.04Å; I895-F942 HydrophobicContact CD1-CE2 3.77Å; I895-F942 HydrophobicContact CG1-CE2 4.26Å; I895-F942 HydrophobicContact CG2-CE2 4.41Å; I895-F953 HydrophobicContact CD1-CD1 4.03Å
896	E	92.8	Very high	89.5	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.065	25%	0.252	C	S	.	.			trans	-47.4	137.5	174.2	-166.8	-172.9	-173.6	0	0	111.9	Y868 Y903 D904 C923 G924 I948	Y868-E896 PolarHBondContact OH-N 3.07Å; Y868-E896 VanDerWaalsContact OH-N 3.15Å; E896-Y903 WeakPolarHBondContact OE2-CB 3.31Å; E896-D904 HydrophobicContact CB-CB 3.86Å; E896-C923 VanDerWaalsContact O-CB 3.3Å; E896-C923 WeakPolarHBondContact O-CB 3.23Å; E896-G924 PolarHBondContact O-N 2.98Å; E896-I948 HydrophobicContact CG-CB 4.14Å; E896-I948 HydrophobicContact CG-CG2 3.86Å; E896-I948 WeakPolarHBondContact OE1-CD1 3.25Å
897	E	88.7	Confident	89.6	Confident	162 Å²	162	48.5 Å²	48.5	76%	0.757	26%	0.258	S	S	*	.			trans	-95.2	120.4	-178.8	-171	174.5	-178.3	0	0	110	I895	I895-E897 PolarHBondContact O-N 2.8Å
898	E	89.5	Confident	89.7	Confident	50 Å²	50	47.1 Å²	47.1	23%	0.234	25%	0.251	C	S	.	.			trans	-143.8	148.3	178.5	-163.8	-75.4	126.9	0	0	109	D900 C901 G902 Y903 C923	E898-D900 VanDerWaalsContact C-N 3.29Å; E898-D900 VanDerWaalsContact CD-N 3.31Å; E898-D900 PolarHBondContact O-N 2.82Å; E898-D900 PolarHBondContact OE1-N 2.94Å; E898-D900 VanDerWaalsContact OE2-CA 3.25Å; E898-D900 WeakPolarHBondContact OE2-CA 3.27Å; E898-D900 WeakPolarHBondContact OE2-CB 3.47Å; E898-D900 PolarHBondContact OE2-N 2.85Å; E898-C901 PolarHBondContact O-N 3.38Å; E898-C901 PolarHBondContact OE2-N 3.17Å; E898-G902 PolarHBondContact OE2-N 2.81Å; E898-Y903 HydrophobicContact CB-CD2 3.99Å; E898-Y903 HydrophobicContact CB-CE2 4.42Å; E898-Y903 HydrophobicContact CG-CD2 3.53Å; E898-Y903 HydrophobicContact CG-CE2 3.54Å; E898-Y903 HydrophobicContact CG-CG 4.29Å; E898-C923 PolarHBondContact O-SG 2.71Å; E898-C923 VanDerWaalsContact O-SG 3.38Å
899	A	82.6	Confident	89.8	Confident	97 Å²	97	47.9 Å²	47.9	80%	0.802	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-33.9	-170.9	0	0	0	0	0	113.6
900	D	86.1	Confident	90	Very high	134 Å²	134	47.4 Å²	47.4	72%	0.717	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	7.4	-179.6	-67.2	-41.5	0	0	0	113	E898 G902	E898-D900 VanDerWaalsContact C-N 3.29Å; E898-D900 VanDerWaalsContact CD-N 3.31Å; E898-D900 PolarHBondContact O-N 2.82Å; E898-D900 PolarHBondContact OE1-N 2.94Å; E898-D900 VanDerWaalsContact OE2-CA 3.25Å; E898-D900 WeakPolarHBondContact OE2-CA 3.27Å; E898-D900 WeakPolarHBondContact OE2-CB 3.47Å; E898-D900 PolarHBondContact OE2-N 2.85Å; D900-G902 PolarHBondContact O-N 2.91Å
901	C	88.1	Confident	90	Very high	20 Å²	20	46 Å²	46	14%	0.135	25%	0.248	C	C	.	.			trans	48.2	40.3	-169.7	-61.4	0	0	0	0	113	E898 Y905 R921 C923	E898-C901 PolarHBondContact O-N 3.38Å; E898-C901 PolarHBondContact OE2-N 3.17Å; C901-Y905 WeakPolarHBondContact O-CD1 3.36Å; C901-R921 HydrophobicContact CB-CG 4.19Å; C901-R921 PolarHBondContact O-NE 2.68Å; C901-R921 PolarHBondContact O-NH2 3Å; C901-C923 WeakPolarHBondContact CA-SG 3.48Å; C901-C923 HydrophobicContact CB-CB 3.56Å; C901-C923 WeakPolarHBondContact CB-SG 3.33Å; C901-C923 WeakPolarHBondContact SG-CB 3.14Å; C901-C923 PolarHBondContact SG-N 3.4Å; C901-C923 VanDerWaalsContact SG-N 3.38Å; C901-C923 CovalentContact SG-SG 2.04Å; C901-C923 PolarHBondContact SG-SG 2.7Å
902	G	86.4	Confident	90	Very high	39 Å²	39	44.7 Å²	44.7	40%	0.402	25%	0.253	S	S	.	.			trans	-75.6	-32.3	-172.9	0	0	0	0	0	115.2	E898 D900	E898-G902 PolarHBondContact OE2-N 2.81Å; D900-G902 PolarHBondContact O-N 2.91Å
903	Y	90.2	Very high	90.2	Very high	120 Å²	120	46.4 Å²	46.4	47%	0.471	26%	0.261	S	S	.	.	S	Bend	trans	-83.4	-94.9	-179.3	-55.3	-39.7	0	0	0	110.5	E896 E898 Y905 D945	E896-Y903 WeakPolarHBondContact OE2-CB 3.31Å; E898-Y903 HydrophobicContact CB-CD2 3.99Å; E898-Y903 HydrophobicContact CB-CE2 4.42Å; E898-Y903 HydrophobicContact CG-CD2 3.53Å; E898-Y903 HydrophobicContact CG-CE2 3.54Å; E898-Y903 HydrophobicContact CG-CG 4.29Å; Y903-Y905 VanDerWaalsContact O-CD1 3.31Å; Y903-Y905 WeakPolarHBondContact O-CD1 3.26Å; Y903-D945 WeakPolarHBondContact CB-OD2 3.47Å
904	D	93.4	Very high	90.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.276	C	S	.	.	S	Bend	trans	-92	134.5	176	-58.4	-20.6	0	0	0	112.3	Y868 I895 E896 C923 H943 S944 D945	Y868-D904 WeakPolarHBondContact CE2-OD2 3.37Å; Y868-D904 PolarHBondContact OH-OD2 2.89Å; I895-D904 HydrophobicContact CG2-CB 3.4Å; I895-D904 WeakPolarHBondContact CG2-O 3.18Å; E896-D904 HydrophobicContact CB-CB 3.86Å; D904-C923 VanDerWaalsContact O-CB 3.28Å; D904-C923 WeakPolarHBondContact O-CB 3.18Å; D904-H943 WeakPolarHBondContact CA-O 3.17Å; D904-S944 WeakPolarHBondContact OD1-CA 3.49Å; D904-S944 WeakPolarHBondContact OD1-CB 3.35Å; D904-D945 PolarHBondContact OD1-N 3.28Å
905	Y	93.7	Very high	90.2	Very high	25 Å²	25	53.6 Å²	53.6	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	155.5	-177.8	62.5	-87.2	0	0	0	114.4	C901 Y903 E907 R921 Y922 F942 H943	C901-Y905 WeakPolarHBondContact O-CD1 3.36Å; Y903-Y905 VanDerWaalsContact O-CD1 3.31Å; Y903-Y905 WeakPolarHBondContact O-CD1 3.26Å; Y905-E907 HydrophobicContact CD2-CG 3.74Å; Y905-E907 HydrophobicContact CE2-CG 3.83Å; Y905-R921 HydrophobicContact CD2-CG 3.88Å; Y905-R921 HydrophobicContact CG-CG 4.12Å; Y905-Y922 WeakPolarHBondContact CA-O 3.26Å; Y905-F942 WeakPolarHBondContact O-CA 3.28Å; Y905-F942 WeakPolarHBondContact O-CD2 3.18Å; Y905-H943 HydrophobicContact CD1-CB 4.07Å; Y905-H943 HydrophobicContact CD2-CB 4.39Å; Y905-H943 HydrophobicContact CE1-CB 3.55Å; Y905-H943 AromaticContact CE1-CD2 3.35Å; Y905-H943 WeakPolarHBondContact CE1-CD2 3.33Å; Y905-H943 AromaticContact CE1-CG 3.66Å; Y905-H943 HydrophobicContact CE2-CB 3.96Å; Y905-H943 HydrophobicContact CG-CB 4.47Å; Y905-H943 AromaticContact CZ-CD2 3.98Å; Y905-H943 AromaticContact CZ-CG 3.85Å; Y905-H943 PolarHBondContact N-O 2.83Å; Y905-H943 PolarHBondContact O-N 3.27Å
906	M	93.3	Very high	90.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.6	166.9	-178.2	-166.4	71.9	0	0	110.4	F890 F893 I895 L908 R921 Y922 I940 K941 F953	F890-M906 HydrophobicContact CE1-CE 3.54Å; F890-M906 HydrophobicContact CE1-SD 3.77Å; F890-M906 HydrophobicContact CZ-CE 3.48Å; F890-M906 VanDerWaalsContact CZ-CE 3.48Å; F890-M906 HydrophobicContact CZ-SD 4.03Å; F893-M906 HydrophobicContact CD2-CE 4.34Å; F893-M906 HydrophobicContact CE2-CB 4.02Å; F893-M906 HydrophobicContact CE2-CE 3.48Å; F893-M906 VanDerWaalsContact CE2-CE 3.48Å; F893-M906 HydrophobicContact CE2-SD 3.77Å; F893-M906 HydrophobicContact CZ-CB 4.07Å; F893-M906 HydrophobicContact CZ-CE 4.23Å; I895-M906 HydrophobicContact CD1-CB 3.98Å; M906-L908 HydrophobicContact CE-CD1 3.88Å; M906-L908 HydrophobicContact CE-CD2 4.13Å; M906-L908 HydrophobicContact CE-CG 3.9Å; M906-L908 HydrophobicContact SD-CD2 4.22Å; M906-R921 CarbonylContact O-C 3.58Å; M906-R921 WeakPolarHBondContact O-CA 3.46Å; M906-Y922 HydrophobicContact CE-CD2 3.66Å; M906-Y922 HydrophobicContact CE-CE2 4.37Å; M906-Y922 HydrophobicContact CE-CG 4.29Å; M906-Y922 PolarHBondContact N-O 3.2Å; M906-Y922 PolarHBondContact O-N 2.81Å; M906-I940 HydrophobicContact CG-CG2 3.86Å; M906-I940 HydrophobicContact SD-CG2 3.92Å; M906-K941 CarbonylContact C-O 3.58Å; M906-K941 VanDerWaalsContact CA-O 3.28Å; M906-K941 WeakPolarHBondContact CA-O 3.21Å; M906-F953 HydrophobicContact CG-CE1 4.39Å; M906-F953 HydrophobicContact SD-CD1 4.33Å; M906-F953 HydrophobicContact SD-CE1 4.31Å; M906-F953 HydrophobicContact SD-CZ 4.49Å
907	E	93.4	Very high	90.1	Very high	24 Å²	24	58.8 Å²	58.8	11%	0.112	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.8	170.2	-66.7	-172.8	118.3	0	0	111.8	Y905 F909 R918 G920 R921 K941	Y905-E907 HydrophobicContact CD2-CG 3.74Å; Y905-E907 HydrophobicContact CE2-CG 3.83Å; E907-F909 HydrophobicContact CB-CD2 4.47Å; E907-F909 HydrophobicContact CB-CE2 3.59Å; E907-F909 HydrophobicContact CB-CZ 3.98Å; E907-R918 WeakPolarHBondContact OE1-CD 3.44Å; E907-R918 IonicContact OE1-NH1 3.8Å; E907-R918 PolarHBondContact OE1-NH1 3.28Å; E907-G920 WeakPolarHBondContact CA-O 3.41Å; E907-R921 HydrophobicContact CG-CB 3.89Å; E907-R921 HydrophobicContact CG-CG 3.78Å; E907-K941 HydrophobicContact CB-CB 4.34Å; E907-K941 PolarHBondContact N-O 2.8Å; E907-K941 PolarHBondContact O-N 2.86Å; E907-K941 IonicContact OE2-NZ 3.94Å
908	L	93.4	Very high	90.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.4	176.1	-62.7	177.8	0	0	0	110.6	L888 F890 M906 R918 L919 G920 Y922 I931 I938 V939 I940	L888-L908 HydrophobicContact CD1-CD1 4.37Å; L888-L908 HydrophobicContact CD1-CD2 4.06Å; F890-L908 HydrophobicContact CZ-CD1 4.23Å; M906-L908 HydrophobicContact CE-CD1 3.88Å; M906-L908 HydrophobicContact CE-CD2 4.13Å; M906-L908 HydrophobicContact CE-CG 3.9Å; M906-L908 HydrophobicContact SD-CD2 4.22Å; L908-R918 CarbonylContact O-C 3.59Å; L908-R918 WeakPolarHBondContact O-CA 3.35Å; L908-R918 WeakPolarHBondContact O-CG 3.44Å; L908-L919 HydrophobicContact CB-CB 4.03Å; L908-L919 HydrophobicContact CB-CD1 4.39Å; L908-L919 PolarHBondContact O-N 2.83Å; L908-G920 PolarHBondContact N-O 2.96Å; L908-Y922 HydrophobicContact CB-CE2 4.49Å; L908-Y922 HydrophobicContact CD1-CD2 4.43Å; L908-Y922 HydrophobicContact CD1-CE2 3.82Å; L908-Y922 HydrophobicContact CG-CE2 4.15Å; L908-I931 HydrophobicContact CD1-CD1 3.22Å; L908-I931 HydrophobicContact CD1-CG1 4.49Å; L908-I931 HydrophobicContact CD1-CG2 4.36Å; L908-I938 HydrophobicContact CD2-CG2 4.4Å; L908-V939 WeakPolarHBondContact CA-O 3.41Å; L908-I940 HydrophobicContact CD2-CB 4.02Å; L908-I940 HydrophobicContact CD2-CD1 4.26Å; L908-I940 HydrophobicContact CD2-CG1 3.6Å; L908-I940 HydrophobicContact CD2-CG2 3.94Å
909	F	94	Very high	90.2	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.066	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.4	176.4	-52.1	-99.7	0	0	0	110.3	E907 G911 T914 S916 P917 R918 I938 V939 K941	E907-F909 HydrophobicContact CB-CD2 4.47Å; E907-F909 HydrophobicContact CB-CE2 3.59Å; E907-F909 HydrophobicContact CB-CZ 3.98Å; F909-G911 PolarHBondContact O-N 3.3Å; F909-T914 HydrophobicContact CD2-CG2 4.21Å; F909-T914 WeakPolarHBondContact CE1-O 3.11Å; F909-T914 HydrophobicContact CE2-CG2 4.02Å; F909-T914 HydrophobicContact CZ-CG2 4.43Å; F909-S916 WeakPolarHBondContact CD1-O 3.36Å; F909-P917 WeakPolarHBondContact CA-O 3.39Å; F909-R918 HydrophobicContact CD1-CB 3.77Å; F909-R918 HydrophobicContact CD1-CG 4.04Å; F909-R918 HydrophobicContact CE1-CB 3.76Å; F909-R918 HydrophobicContact CE1-CG 3.78Å; F909-R918 HydrophobicContact CZ-CG 4.22Å; F909-I938 WeakPolarHBondContact O-CA 3.08Å; F909-V939 HydrophobicContact CB-CB 4.19Å; F909-V939 HydrophobicContact CD2-CB 4.28Å; F909-V939 HydrophobicContact CD2-CG1 4.32Å; F909-V939 PolarHBondContact N-O 2.93Å; F909-V939 PolarHBondContact O-N 2.78Å; F909-K941 HydrophobicContact CE2-CB 4.35Å
910	D	91.4	Very high	90.5	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	85.9	-179.5	-168.5	2.9	0	0	0	111	S916 P917 L919 S933 A934 G935	D910-S916 VanDerWaalsContact O-CB 3.27Å; D910-S916 WeakPolarHBondContact O-CB 3.41Å; D910-S916 PolarHBondContact O-OG 2.5Å; D910-P917 PolarHBondContact N-O 2.95Å; D910-L919 HydrophobicContact CB-CD1 4.05Å; D910-L919 HydrophobicContact CB-CD2 3.89Å; D910-L919 HydrophobicContact CB-CG 3.94Å; D910-S933 WeakPolarHBondContact OD1-CB 3.45Å; D910-A934 PolarHBondContact OD1-N 3.37Å; D910-A934 WeakPolarHBondContact OD2-CA 3.18Å; D910-A934 WeakPolarHBondContact OD2-CB 3.35Å; D910-A934 PolarHBondContact OD2-N 3.15Å; D910-G935 PolarHBondContact OD1-N 3.25Å; D910-G935 VanDerWaalsContact OD1-N 3.15Å
911	G	89.3	Confident	90.8	Very high	8 Å²	8	52.1 Å²	52.1	8%	0.082	28%	0.276	C	S	.	.	S	Bend	trans	153.7	-157.1	174.7	0	0	0	0	0	112.7	F909 S916 S937 V939	F909-G911 PolarHBondContact O-N 3.3Å; G911-S916 WeakPolarHBondContact CA-OG 3.47Å; G911-S937 WeakPolarHBondContact CA-O 3.48Å; G911-S937 WeakPolarHBondContact CA-OG 3.45Å; G911-S937 PolarHBondContact N-O 2.95Å; G911-S937 CarbonylContact O-C 3.42Å; G911-S937 WeakPolarHBondContact O-CB 3.36Å; G911-S937 PolarHBondContact O-OG 2.9Å; G911-V939 WeakPolarHBondContact O-CG2 3.15Å
912	A	87.3	Confident	91	Very high	63 Å²	63	53.7 Å²	53.7	52%	0.521	28%	0.279	S	S	.	.	S	Bend	trans	-89.5	-12.1	-167.7	0	0	0	0	0	114.8	S937	A912-S937 PolarHBondContact N-OG 2.97Å
913	D	90.8	Very high	91.2	Very high	71 Å²	71	52.7 Å²	52.7	38%	0.38	27%	0.266	S	S	.	.	S	Bend	trans	-149.7	177.2	-179.3	66.8	43.4	0	0	0	112.3	K915 S916	D913-K915 PolarHBondContact O-N 2.86Å; D913-K915 WeakPolarHBondContact OD1-CA 3.08Å; D913-K915 WeakPolarHBondContact OD1-CB 3.39Å; D913-K915 PolarHBondContact OD1-N 2.82Å; D913-S916 VanDerWaalsContact O-CB 3.3Å; D913-S916 WeakPolarHBondContact O-CB 3.49Å; D913-S916 PolarHBondContact O-N 3.23Å; D913-S916 PolarHBondContact OD1-N 3.4Å
914	T	88.9	Confident	91	Very high	62 Å²	62	47.3 Å²	47.3	38%	0.38	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.4	-178.6	52.8	0	0	0	0	114.2	F909 V939	F909-T914 HydrophobicContact CD2-CG2 4.21Å; F909-T914 WeakPolarHBondContact CE1-O 3.11Å; F909-T914 HydrophobicContact CE2-CG2 4.02Å; F909-T914 HydrophobicContact CZ-CG2 4.43Å; T914-V939 HydrophobicContact CG2-CG1 4.1Å
915	K	89.8	Confident	90.4	Very high	189 Å²	189	52.4 Å²	52.4	82%	0.822	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-13.7	171.7	-53.3	176.2	178.9	174.8	0	111.8	D913	D913-K915 PolarHBondContact O-N 2.86Å; D913-K915 WeakPolarHBondContact OD1-CA 3.08Å; D913-K915 WeakPolarHBondContact OD1-CB 3.39Å; D913-K915 PolarHBondContact OD1-N 2.82Å
916	S	90.4	Very high	89.1	Confident	30 Å²	30	52.3 Å²	52.3	21%	0.21	29%	0.29	C	S	.	.	S	Bend	trans	-61.7	161.3	172.3	-79.7	0	0	0	0	112.6	F909 D910 G911 D913 R918	F909-S916 WeakPolarHBondContact CD1-O 3.36Å; D910-S916 VanDerWaalsContact O-CB 3.27Å; D910-S916 WeakPolarHBondContact O-CB 3.41Å; D910-S916 PolarHBondContact O-OG 2.5Å; G911-S916 WeakPolarHBondContact CA-OG 3.47Å; D913-S916 VanDerWaalsContact O-CB 3.3Å; D913-S916 WeakPolarHBondContact O-CB 3.49Å; D913-S916 PolarHBondContact O-N 3.23Å; D913-S916 PolarHBondContact OD1-N 3.4Å; S916-R918 PolarHBondContact O-N 2.82Å
917	P	91.1	Very high	87.6	Confident	97 Å²	97	53.2 Å²	53.2	63%	0.63	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-52.9	125.2	176	-26.2	35.4	0	0	0	112.1	F909 D910 L919	F909-P917 WeakPolarHBondContact CA-O 3.39Å; D910-P917 PolarHBondContact N-O 2.95Å; P917-L919 PolarHBondContact O-N 3.24Å
918	R	91.7	Very high	86	Confident	140 Å²	140	58.2 Å²	58.2	53%	0.528	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.1	177.6	-171.1	174.9	62.3	131.4	8	109.8	E907 L908 F909 S916	E907-R918 WeakPolarHBondContact OE1-CD 3.44Å; E907-R918 IonicContact OE1-NH1 3.8Å; E907-R918 PolarHBondContact OE1-NH1 3.28Å; L908-R918 CarbonylContact O-C 3.59Å; L908-R918 WeakPolarHBondContact O-CA 3.35Å; L908-R918 WeakPolarHBondContact O-CG 3.44Å; F909-R918 HydrophobicContact CD1-CB 3.77Å; F909-R918 HydrophobicContact CD1-CG 4.04Å; F909-R918 HydrophobicContact CE1-CB 3.76Å; F909-R918 HydrophobicContact CE1-CG 3.78Å; F909-R918 HydrophobicContact CZ-CG 4.22Å; S916-R918 PolarHBondContact O-N 2.82Å
919	L	88.8	Confident	85	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.346	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-35.5	176.8	-64.4	176.2	0	0	0	111.4	L908 D910 P917 I931	L908-L919 HydrophobicContact CB-CB 4.03Å; L908-L919 HydrophobicContact CB-CD1 4.39Å; L908-L919 PolarHBondContact O-N 2.83Å; D910-L919 HydrophobicContact CB-CD1 4.05Å; D910-L919 HydrophobicContact CB-CD2 3.89Å; D910-L919 HydrophobicContact CB-CG 3.94Å; P917-L919 PolarHBondContact O-N 3.24Å; L919-I931 HydrophobicContact CD1-CG2 3.76Å
920	G	88.9	Confident	84.3	Confident	14 Å²	14	70 Å²	70	14%	0.144	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	171.1	174.7	0	0	0	0	0	113.7	E907 L908	E907-G920 WeakPolarHBondContact CA-O 3.41Å; L908-G920 PolarHBondContact N-O 2.96Å
921	R	91.6	Very high	84.1	Confident	84 Å²	84	69.6 Å²	69.6	32%	0.317	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.7	167.7	-176.9	176.8	-171.2	-168.5	6.6	107.4	C901 Y905 M906 E907	C901-R921 HydrophobicContact CB-CG 4.19Å; C901-R921 PolarHBondContact O-NE 2.68Å; C901-R921 PolarHBondContact O-NH2 3Å; Y905-R921 HydrophobicContact CD2-CG 3.88Å; Y905-R921 HydrophobicContact CG-CG 4.12Å; M906-R921 CarbonylContact O-C 3.58Å; M906-R921 WeakPolarHBondContact O-CA 3.46Å; E907-R921 HydrophobicContact CG-CB 3.89Å; E907-R921 HydrophobicContact CG-CG 3.78Å
922	Y	92.2	Very high	83.9	Confident	52 Å²	52	74.9 Å²	74.9	20%	0.204	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140	-169	-51.4	-84.5	0	0	0	110.4	Y905 M906 L908 P927 I931	Y905-Y922 WeakPolarHBondContact CA-O 3.26Å; M906-Y922 HydrophobicContact CE-CD2 3.66Å; M906-Y922 HydrophobicContact CE-CE2 4.37Å; M906-Y922 HydrophobicContact CE-CG 4.29Å; M906-Y922 PolarHBondContact N-O 3.2Å; M906-Y922 PolarHBondContact O-N 2.81Å; L908-Y922 HydrophobicContact CB-CE2 4.49Å; L908-Y922 HydrophobicContact CD1-CD2 4.43Å; L908-Y922 HydrophobicContact CD1-CE2 3.82Å; L908-Y922 HydrophobicContact CG-CE2 4.15Å; Y922-P927 HydrophobicContact CD1-CB 3.73Å; Y922-P927 HydrophobicContact CD1-CG 4.35Å; Y922-P927 HydrophobicContact CE1-CB 3.71Å; Y922-P927 HydrophobicContact CG-CB 4.33Å; Y922-P927 HydrophobicContact CG-CG 4.48Å; Y922-I931 HydrophobicContact CE2-CD1 4.41Å
923	C	91.1	Very high	83.9	Confident	18 Å²	18	72.4 Å²	72.4	12%	0.122	38%	0.38	C	S	.	.			trans	-148.1	-178.4	174.7	67.6	0	0	0	0	109	I895 E896 E898 C901 D904 G926	I895-C923 HydrophobicContact CG2-CB 4.38Å; E896-C923 VanDerWaalsContact O-CB 3.3Å; E896-C923 WeakPolarHBondContact O-CB 3.23Å; E898-C923 PolarHBondContact O-SG 2.71Å; E898-C923 VanDerWaalsContact O-SG 3.38Å; C901-C923 WeakPolarHBondContact CA-SG 3.48Å; C901-C923 HydrophobicContact CB-CB 3.56Å; C901-C923 WeakPolarHBondContact CB-SG 3.33Å; C901-C923 WeakPolarHBondContact SG-CB 3.14Å; C901-C923 PolarHBondContact SG-N 3.4Å; C901-C923 VanDerWaalsContact SG-N 3.38Å; C901-C923 CovalentContact SG-SG 2.04Å; C901-C923 PolarHBondContact SG-SG 2.7Å; D904-C923 VanDerWaalsContact O-CB 3.28Å; D904-C923 WeakPolarHBondContact O-CB 3.18Å; C923-G926 PolarHBondContact O-N 2.81Å
924	G	87.4	Confident	83.5	Confident	8 Å²	8	72.8 Å²	72.8	8%	0.082	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	-134.6	-177	0	0	0	0	0	113.7	F893 E894 I895 E896 G926	F893-G924 WeakPolarHBondContact CD1-O 3.2Å; E894-G924 WeakPolarHBondContact CA-O 3.18Å; I895-G924 PolarHBondContact N-O 3.46Å; I895-G924 CarbonylContact O-C 3.51Å; I895-G924 WeakPolarHBondContact O-CA 3.44Å; I895-G924 PolarHBondContact O-N 3.07Å; I895-G924 VanDerWaalsContact O-N 3.14Å; E896-G924 PolarHBondContact O-N 2.98Å; G924-G926 VanDerWaalsContact C-N 3.28Å; G924-G926 PolarHBondContact O-N 2.88Å
925	S	79.5	Confident	83.3	Confident	108 Å²	108	71 Å²	71	76%	0.755	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	7.3	-179.1	54.2	0	0	0	0	115.2	F893	F893-S925 CarbonylContact O-C 3.6Å; F893-S925 WeakPolarHBondContact O-CA 3.42Å
926	G	66.7	Low	83.3	Confident	23 Å²	23	65.7 Å²	65.7	24%	0.237	37%	0.368	C	S	.	.			trans	90.7	-179.4	161.5	0	0	0	0	0	118.5	F893 C923 G924	F893-G926 VanDerWaalsContact CD1-N 3.32Å; F893-G926 VanDerWaalsContact CG-CA 3.43Å; C923-G926 PolarHBondContact O-N 2.81Å; G924-G926 VanDerWaalsContact C-N 3.28Å; G924-G926 PolarHBondContact O-N 2.88Å
927	P	62.7	Low	83.4	Confident	19 Å²	19	64.5 Å²	64.5	12%	0.123	36%	0.359	C	S	.	.			trans	-70.4	134.9	-179.7	26.5	-31	0	0	0	111	F890 Y922 E929	F890-P927 HydrophobicContact CD1-CG 4.13Å; F890-P927 HydrophobicContact CD2-CG 3.85Å; F890-P927 HydrophobicContact CE1-CG 4.18Å; F890-P927 HydrophobicContact CE2-CG 3.92Å; F890-P927 HydrophobicContact CG-CG 3.99Å; F890-P927 HydrophobicContact CZ-CG 4.1Å; Y922-P927 HydrophobicContact CD1-CB 3.73Å; Y922-P927 HydrophobicContact CD1-CG 4.35Å; Y922-P927 HydrophobicContact CE1-CB 3.71Å; Y922-P927 HydrophobicContact CG-CB 4.33Å; Y922-P927 HydrophobicContact CG-CG 4.48Å; P927-E929 PolarHBondContact O-N 3.36Å
928	P	57.9	Low	83.5	Confident	129 Å²	129	59.9 Å²	59.9	84%	0.838	33%	0.329	S	S	*	.	S	Bend	trans	-80.2	-8	-176.9	27.9	-32.5	0	0	0	115.3
929	E	73.2	Confident	83.6	Confident	158 Å²	158	53.2 Å²	53.2	74%	0.738	30%	0.304	S	S	*	.	S	Bend	trans	-134.5	157.1	-172.4	-64.3	-173.8	169.2	0	0	113.5	P927	P927-E929 PolarHBondContact O-N 3.36Å
930	E	79.1	Confident	83.9	Confident	104 Å²	104	50 Å²	50	49%	0.486	29%	0.288	S	S	.	.			trans	-67.3	140.2	173.6	-65.5	175.9	171	0	0	111	Y932	E930-Y932 HydrophobicContact CB-CE2 4.14Å; E930-Y932 PolarHBondContact OE2-OH 2.92Å
931	I	86.8	Confident	84.1	Confident	18 Å²	18	52 Å²	52	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.4	-173	-61.6	-179.9	0	0	0	110.4	E887 L888 F890 L908 L919 Y922	E887-I931 WeakPolarHBondContact CA-O 3.31Å; L888-I931 HydrophobicContact CB-CB 4.35Å; L888-I931 PolarHBondContact N-O 2.88Å; L888-I931 PolarHBondContact O-N 3.41Å; L888-I931 VanDerWaalsContact O-N 3.1Å; F890-I931 HydrophobicContact CE2-CD1 3.94Å; F890-I931 HydrophobicContact CE2-CG1 4.4Å; L908-I931 HydrophobicContact CD1-CD1 3.22Å; L908-I931 HydrophobicContact CD1-CG1 4.49Å; L908-I931 HydrophobicContact CD1-CG2 4.36Å; L919-I931 HydrophobicContact CD1-CG2 3.76Å; Y922-I931 HydrophobicContact CE2-CD1 4.41Å
932	Y	86.7	Confident	84.2	Confident	119 Å²	119	48.1 Å²	48.1	47%	0.467	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.7	179.1	-62.7	-87.2	0	0	0	110.9	E887 E930	E887-Y932 HydrophobicContact CB-CD1 3.97Å; E887-Y932 HydrophobicContact CB-CE1 3.92Å; E887-Y932 VanDerWaalsContact CD-CE1 3.46Å; E887-Y932 HydrophobicContact CG-CD1 3.99Å; E887-Y932 HydrophobicContact CG-CE1 3.51Å; E887-Y932 WeakPolarHBondContact OE1-CE1 3.2Å; E887-Y932 PolarHBondContact OE1-OH 3.21Å; E930-Y932 HydrophobicContact CB-CE2 4.14Å; E930-Y932 PolarHBondContact OE2-OH 2.92Å
933	S	86.8	Confident	84.4	Confident	11 Å²	11	47.9 Å²	47.9	8%	0.077	28%	0.278	C	S	.	.			trans	-75.6	138.8	170.3	71.3	0	0	0	0	111.3	G885 V886 D910 G935	G885-S933 WeakPolarHBondContact CA-OG 3.21Å; V886-S933 PolarHBondContact N-OG 2.59Å; V886-S933 PolarHBondContact O-N 3.41Å; V886-S933 PolarHBondContact O-OG 3.07Å; D910-S933 WeakPolarHBondContact OD1-CB 3.45Å; S933-G935 VanDerWaalsContact C-N 3.33Å; S933-G935 WeakPolarHBondContact CB-O 3.3Å; S933-G935 PolarHBondContact OG-O 3.24Å
934	A	82.8	Confident	84.5	Confident	80 Å²	80	47 Å²	47	66%	0.661	27%	0.272	S	S	*	.	S	Bend	trans	-78.6	-24.5	164.5	0	0	0	0	0	111.3	D910 F962	D910-A934 PolarHBondContact OD1-N 3.37Å; D910-A934 WeakPolarHBondContact OD2-CA 3.18Å; D910-A934 WeakPolarHBondContact OD2-CB 3.35Å; D910-A934 PolarHBondContact OD2-N 3.15Å; A934-F962 VanDerWaalsContact O-CE1 3.28Å; A934-F962 WeakPolarHBondContact O-CE1 3.48Å
935	G	84.4	Confident	84.7	Confident	25 Å²	25	48.3 Å²	48.3	26%	0.258	28%	0.277	S	S	.	.	S	Bend	trans	-98.2	-168.9	175	0	0	0	0	0	114.1	D910 S933 S937 F962	D910-G935 PolarHBondContact OD1-N 3.25Å; D910-G935 VanDerWaalsContact OD1-N 3.15Å; S933-G935 VanDerWaalsContact C-N 3.33Å; S933-G935 WeakPolarHBondContact CB-O 3.3Å; S933-G935 PolarHBondContact OG-O 3.24Å; G935-S937 VanDerWaalsContact C-N 3.3Å; G935-F962 WeakPolarHBondContact O-CZ 3.31Å
936	D	89.4	Confident	85.1	Confident	77 Å²	77	49.7 Å²	49.7	41%	0.412	28%	0.277	S	S	.	.	S	Bend	trans	-88.1	5	175.8	64.7	-6.7	0	0	0	113.2	S879 A880 Y884	S879-D936 CarbonylContact C-O 3.54Å; S879-D936 WeakPolarHBondContact CA-O 3.47Å; A880-D936 PolarHBondContact N-O 2.88Å; Y884-D936 WeakPolarHBondContact O-CA 3.5Å
937	S	91.9	Very high	85.8	Confident	4 Å²	4	52.3 Å²	52.3	3%	0.028	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.5	-172.2	41.4	0	0	0	0	113.6	I878 G911 A912 G935	I878-S937 CarbonylContact O-C 3.53Å; I878-S937 WeakPolarHBondContact O-CA 2.86Å; G911-S937 WeakPolarHBondContact CA-O 3.48Å; G911-S937 WeakPolarHBondContact CA-OG 3.45Å; G911-S937 PolarHBondContact N-O 2.95Å; G911-S937 CarbonylContact O-C 3.42Å; G911-S937 WeakPolarHBondContact O-CB 3.36Å; G911-S937 PolarHBondContact O-OG 2.9Å; A912-S937 PolarHBondContact N-OG 2.97Å; G935-S937 VanDerWaalsContact C-N 3.3Å
938	I	93.3	Very high	86.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.3	170.1	-71.1	177	0	0	0	109.4	I878 V886 L888 L908 F909 I940	I878-I938 PolarHBondContact N-O 3.32Å; I878-I938 PolarHBondContact O-N 3.01Å; V886-I938 HydrophobicContact CB-CD1 4.11Å; V886-I938 HydrophobicContact CB-CG1 4.3Å; V886-I938 HydrophobicContact CG1-CD1 4.21Å; L888-I938 HydrophobicContact CD1-CD1 4.1Å; L888-I938 HydrophobicContact CD1-CG2 3.99Å; L888-I938 HydrophobicContact CG-CD1 4.04Å; L908-I938 HydrophobicContact CD2-CG2 4.4Å; F909-I938 WeakPolarHBondContact O-CA 3.08Å; I938-I940 HydrophobicContact CG2-CG1 4.19Å
939	V	94.6	Very high	88.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.1	165.7	-179.6	0	0	0	0	110.1	Q875 W876 V877 L908 F909 G911 T914	Q875-V939 HydrophobicContact CG-CG1 3.82Å; W876-V939 CarbonylContact O-C 3.45Å; W876-V939 WeakPolarHBondContact O-CA 3.26Å; V877-V939 HydrophobicContact CG1-CG2 4.37Å; V877-V939 HydrophobicContact CG2-CG2 4.19Å; L908-V939 WeakPolarHBondContact CA-O 3.41Å; F909-V939 HydrophobicContact CB-CB 4.19Å; F909-V939 HydrophobicContact CD2-CB 4.28Å; F909-V939 HydrophobicContact CD2-CG1 4.32Å; F909-V939 PolarHBondContact N-O 2.93Å; F909-V939 PolarHBondContact O-N 2.78Å; G911-V939 WeakPolarHBondContact O-CG2 3.15Å; T914-V939 HydrophobicContact CG2-CG1 4.1Å
940	I	93.9	Very high	88.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.3	169.1	-49.5	-173.1	0	0	0	107.7	L857 Q875 W876 I878 L888 M906 L908 I938 F953	L857-I940 HydrophobicContact CD2-CD1 3.76Å; Q875-I940 CarbonylContact C-O 3.59Å; Q875-I940 WeakPolarHBondContact CA-O 3.42Å; W876-I940 HydrophobicContact CB-CB 4.43Å; W876-I940 HydrophobicContact CE3-CB 4.19Å; W876-I940 HydrophobicContact CE3-CG2 4.11Å; W876-I940 HydrophobicContact CZ3-CG2 4.48Å; W876-I940 PolarHBondContact N-O 2.96Å; W876-I940 PolarHBondContact O-N 3.33Å; I878-I940 HydrophobicContact CD1-CD1 3.83Å; I878-I940 HydrophobicContact CD1-CG1 4.41Å; L888-I940 HydrophobicContact CD1-CD1 3.87Å; L888-I940 HydrophobicContact CD1-CG1 4.29Å; L888-I940 HydrophobicContact CD2-CD1 4.39Å; M906-I940 HydrophobicContact CG-CG2 3.86Å; M906-I940 HydrophobicContact SD-CG2 3.92Å; L908-I940 HydrophobicContact CD2-CB 4.02Å; L908-I940 HydrophobicContact CD2-CD1 4.26Å; L908-I940 HydrophobicContact CD2-CG1 3.6Å; L908-I940 HydrophobicContact CD2-CG2 3.94Å; I938-I940 HydrophobicContact CG2-CG1 4.19Å; I940-F953 HydrophobicContact CG2-CZ 4.38Å
941	K	94.3	Very high	89.3	Confident	56 Å²	56	48.2 Å²	48.2	24%	0.243	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.4	173.4	-176	-172.7	174.2	-157.8	0	108.8	C874 M906 E907 F909	C874-K941 CarbonylContact O-C 3.39Å; C874-K941 WeakPolarHBondContact O-CA 3.43Å; M906-K941 CarbonylContact C-O 3.58Å; M906-K941 VanDerWaalsContact CA-O 3.28Å; M906-K941 WeakPolarHBondContact CA-O 3.21Å; E907-K941 HydrophobicContact CB-CB 4.34Å; E907-K941 PolarHBondContact N-O 2.8Å; E907-K941 PolarHBondContact O-N 2.86Å; E907-K941 IonicContact OE2-NZ 3.94Å; F909-K941 HydrophobicContact CE2-CB 4.35Å
942	F	94.6	Very high	89.5	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.3	175.1	174.8	-122.6	0	0	0	109.2	Y868 C874 W876 I895 Y905 F953	Y868-F942 HydrophobicContact CD1-CZ 4.07Å; Y868-F942 HydrophobicContact CD2-CE1 4.3Å; Y868-F942 AromaticContact CD2-CZ 3.75Å; Y868-F942 HydrophobicContact CD2-CZ 3.75Å; Y868-F942 HydrophobicContact CE1-CZ 4.35Å; Y868-F942 HydrophobicContact CE2-CZ 4.06Å; Y868-F942 HydrophobicContact CG-CE1 4.22Å; Y868-F942 AromaticContact CG-CZ 3.77Å; Y868-F942 HydrophobicContact CG-CZ 3.77Å; C874-F942 HydrophobicContact CB-CB 4.27Å; C874-F942 PolarHBondContact N-O 2.87Å; C874-F942 PolarHBondContact O-N 3.47Å; W876-F942 HydrophobicContact CH2-CB 4.44Å; W876-F942 HydrophobicContact CZ3-CB 3.88Å; I895-F942 HydrophobicContact CD1-CD2 4.04Å; I895-F942 HydrophobicContact CD1-CE2 3.77Å; I895-F942 HydrophobicContact CG1-CE2 4.26Å; I895-F942 HydrophobicContact CG2-CE2 4.41Å; Y905-F942 WeakPolarHBondContact O-CA 3.28Å; Y905-F942 WeakPolarHBondContact O-CD2 3.18Å; F942-F953 HydrophobicContact CB-CE1 3.82Å; F942-F953 HydrophobicContact CB-CZ 4.09Å; F942-F953 HydrophobicContact CD1-CE1 4.22Å; F942-F953 HydrophobicContact CD2-CD1 4.41Å; F942-F953 AromaticContact CD2-CE1 3.73Å; F942-F953 HydrophobicContact CD2-CE1 3.73Å; F942-F953 HydrophobicContact CE2-CE1 4.38Å; F942-F953 AromaticContact CG-CE1 3.65Å; F942-F953 HydrophobicContact CG-CE1 3.65Å; F942-F953 HydrophobicContact CG-CZ 4.3Å
943	H	94.6	Very high	89.7	Confident	47 Å²	47	41.7 Å²	41.7	22%	0.218	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.7	177.8	-177.5	77.9	0	0	0	108.9	S872 D873 D904 Y905	S872-H943 CarbonylContact O-C 3.55Å; S872-H943 VanDerWaalsContact O-CA 3.3Å; S872-H943 WeakPolarHBondContact O-CA 3.49Å; D873-H943 IonicContact OD1-CE1 2.68Å; D873-H943 IonicContact OD1-CG 3.95Å; D873-H943 IonicContact OD1-ND1 3.38Å; D873-H943 PolarHBondContact OD1-ND1 3.26Å; D873-H943 IonicContact OD2-CE1 2.85Å; D873-H943 IonicContact OD2-ND1 3.99Å; D904-H943 WeakPolarHBondContact CA-O 3.17Å; Y905-H943 HydrophobicContact CD1-CB 4.07Å; Y905-H943 HydrophobicContact CD2-CB 4.39Å; Y905-H943 HydrophobicContact CE1-CB 3.55Å; Y905-H943 AromaticContact CE1-CD2 3.35Å; Y905-H943 WeakPolarHBondContact CE1-CD2 3.33Å; Y905-H943 AromaticContact CE1-CG 3.66Å; Y905-H943 HydrophobicContact CE2-CB 3.96Å; Y905-H943 HydrophobicContact CG-CB 4.47Å; Y905-H943 AromaticContact CZ-CD2 3.98Å; Y905-H943 AromaticContact CZ-CG 3.85Å; Y905-H943 PolarHBondContact N-O 2.83Å; Y905-H943 PolarHBondContact O-N 3.27Å
944	S	94.1	Very high	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.			trans	-126.4	144.3	167.4	59.5	0	0	0	0	111.9	P869 A871 S872 D904	P869-S944 PolarHBondContact O-OG 2.76Å; A871-S944 CarbonylContact C-O 3.47Å; A871-S944 WeakPolarHBondContact CA-O 3.24Å; A871-S944 PolarHBondContact N-O 3.27Å; A871-S944 PolarHBondContact N-OG 2.9Å; S872-S944 WeakPolarHBondContact CB-OG 3.42Å; S872-S944 PolarHBondContact N-O 2.97Å; S872-S944 PolarHBondContact N-OG 2.78Å; S872-S944 PolarHBondContact O-N 2.55Å; D904-S944 WeakPolarHBondContact OD1-CA 3.49Å; D904-S944 WeakPolarHBondContact OD1-CB 3.35Å
945	D	91.1	Very high	90.3	Very high	35 Å²	35	38.5 Å²	38.5	19%	0.187	20%	0.2	C	C	.	.			trans	-88	-173.1	172.3	82.5	15.4	0	0	0	112.1	G870 A871 Y903 D904 T947	G870-D945 CarbonylContact C-O 3.57Å; G870-D945 WeakPolarHBondContact CA-O 3.38Å; A871-D945 PolarHBondContact N-O 3.39Å; Y903-D945 WeakPolarHBondContact CB-OD2 3.47Å; D904-D945 PolarHBondContact OD1-N 3.28Å; D945-T947 PolarHBondContact O-N 3.3Å; D945-T947 WeakPolarHBondContact OD1-CA 3.39Å; D945-T947 PolarHBondContact OD1-N 3.19Å; D945-T947 PolarHBondContact OD1-OG1 2.68Å; D945-T947 PolarHBondContact OD2-OG1 2.91Å
946	D	89	Confident	90.6	Very high	138 Å²	138	41.9 Å²	41.9	74%	0.738	21%	0.206	S	C	*	.	S	Bend	trans	-79.8	-0.2	-176.3	-69.1	-38.8	0	0	0	113.6	A871	A871-D946 VanDerWaalsContact CB-OD1 3.3Å; A871-D946 WeakPolarHBondContact CB-OD1 3.19Å
947	T	81.3	Confident	90.7	Very high	77 Å²	77	38.8 Å²	38.8	47%	0.472	19%	0.188	S	C	.	.	S	Bend	trans	-128.6	158.4	-170.7	58.3	0	0	0	0	112.7	D945	D945-T947 PolarHBondContact O-N 3.3Å; D945-T947 WeakPolarHBondContact OD1-CA 3.39Å; D945-T947 PolarHBondContact OD1-N 3.19Å; D945-T947 PolarHBondContact OD1-OG1 2.68Å; D945-T947 PolarHBondContact OD2-OG1 2.91Å
948	I	82.3	Confident	90.7	Very high	99 Å²	99	39.1 Å²	39.1	51%	0.508	19%	0.19	S	C	.	.			trans	41.9	77.8	171.8	-50.7	177.6	0	0	0	115.3	E896	E896-I948 HydrophobicContact CG-CB 4.14Å; E896-I948 HydrophobicContact CG-CG2 3.86Å; E896-I948 WeakPolarHBondContact OE1-CD1 3.25Å
949	N	87.7	Confident	90.6	Very high	52 Å²	52	39.8 Å²	39.8	28%	0.278	19%	0.194	S	C	.	.			trans	-89.2	138.3	174.5	-44.5	107.2	0	0	0	112.6	N867 Y868 G870	N867-N949 HydrophobicContact CB-CB 4.11Å; N867-N949 PolarHBondContact ND2-O 3.4Å; Y868-N949 HydrophobicContact CD2-CB 3.99Å; Y868-N949 HydrophobicContact CE2-CB 3.87Å; Y868-N949 WeakPolarHBondContact O-CB 3.35Å; Y868-N949 VanDerWaalsContact O-CG 3.31Å; G870-N949 WeakPolarHBondContact CA-ND2 3.29Å; G870-N949 PolarHBondContact N-ND2 3.08Å
950	K	89.4	Confident	90.1	Very high	96 Å²	96	41.6 Å²	41.6	42%	0.417	21%	0.206	S	C	.	.			trans	-112.1	-172.7	175.8	-62.2	-67.2	-175.5	176.2	0	111.2	N867 Y868 E894 G952	N867-K950 CarbonylContact C-O 3.57Å; N867-K950 WeakPolarHBondContact CA-O 3.07Å; N867-K950 WeakPolarHBondContact CB-O 3.47Å; N867-K950 VanDerWaalsContact CG-C 3.44Å; Y868-K950 WeakPolarHBondContact CD1-O 3.36Å; Y868-K950 HydrophobicContact CE1-CB 3.82Å; Y868-K950 VanDerWaalsContact CE1-O 3.24Å; Y868-K950 WeakPolarHBondContact CE1-O 3.41Å; Y868-K950 VanDerWaalsContact CZ-N 3.29Å; Y868-K950 PolarHBondContact N-O 3.43Å; Y868-K950 PolarHBondContact OH-N 2.94Å; E894-K950 HydrophobicContact CB-CB 4.49Å; E894-K950 WeakPolarHBondContact O-CB 3.2Å; K950-G952 PolarHBondContact O-N 3.04Å
951	K	87.1	Confident	89.4	Confident	77 Å²	77	48.7 Å²	48.7	34%	0.335	24%	0.236	S	C	.	.			trans	-64.9	-25.5	-176.2	-171.3	178.3	178.8	-175.4	0	113.3	H860 F863 N867 T892 E894	H860-K951 PolarHBondContact CE1-O 3.48Å; F863-K951 WeakPolarHBondContact CD2-O 3.39Å; F863-K951 HydrophobicContact CE2-CG 4.23Å; F863-K951 WeakPolarHBondContact CE2-O 3.45Å; F863-K951 HydrophobicContact CZ-CG 4.36Å; N867-K951 PolarHBondContact OD1-N 2.66Å; T892-K951 HydrophobicContact CG2-CD 4.18Å; E894-K951 HydrophobicContact CB-CB 4.06Å
952	G	90.1	Very high	88.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87	-153.7	180	0	0	0	0	0	112.5	Y868 E894 K950	Y868-G952 VanDerWaalsContact CD1-CA 3.44Å; E894-G952 PolarHBondContact N-O 3.12Å; E894-G952 VanDerWaalsContact O-CA 3.28Å; E894-G952 WeakPolarHBondContact O-CA 3.36Å; E894-G952 PolarHBondContact O-N 2.88Å; K950-G952 PolarHBondContact O-N 3.04Å
953	F	90.6	Very high	86.4	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.7	179.7	62.8	-98.2	0	0	0	114.5	S859 F863 W876 T892 F893 I895 M906 I940 F942 V955	S859-F953 PolarHBondContact N-O 3.13Å; S859-F953 PolarHBondContact OG-N 3.01Å; S859-F953 VanDerWaalsContact OG-N 3.09Å; S859-F953 PolarHBondContact OG-O 2.99Å; F863-F953 VanDerWaalsContact CE2-C 3.45Å; F863-F953 WeakPolarHBondContact CE2-O 3.3Å; W876-F953 HydrophobicContact CH2-CZ 4.08Å; W876-F953 AromaticContact CZ3-CZ 3.82Å; W876-F953 HydrophobicContact CZ3-CZ 3.82Å; T892-F953 CarbonylContact O-C 3.48Å; T892-F953 WeakPolarHBondContact O-CA 3.46Å; T892-F953 WeakPolarHBondContact O-CB 3.46Å; F893-F953 HydrophobicContact CD2-CB 3.74Å; F893-F953 HydrophobicContact CE2-CB 4.3Å; F893-F953 HydrophobicContact CG-CB 4.35Å; I895-F953 HydrophobicContact CD1-CD1 4.03Å; M906-F953 HydrophobicContact CG-CE1 4.39Å; M906-F953 HydrophobicContact SD-CD1 4.33Å; M906-F953 HydrophobicContact SD-CE1 4.31Å; M906-F953 HydrophobicContact SD-CZ 4.49Å; I940-F953 HydrophobicContact CG2-CZ 4.38Å; F942-F953 HydrophobicContact CB-CE1 3.82Å; F942-F953 HydrophobicContact CB-CZ 4.09Å; F942-F953 HydrophobicContact CD1-CE1 4.22Å; F942-F953 HydrophobicContact CD2-CD1 4.41Å; F942-F953 AromaticContact CD2-CE1 3.73Å; F942-F953 HydrophobicContact CD2-CE1 3.73Å; F942-F953 HydrophobicContact CE2-CE1 4.38Å; F942-F953 AromaticContact CG-CE1 3.65Å; F942-F953 HydrophobicContact CG-CE1 3.65Å; F942-F953 HydrophobicContact CG-CZ 4.3Å; F953-V955 HydrophobicContact CD2-CG2 3.79Å; F953-V955 HydrophobicContact CE2-CG2 4.42Å
954	H	91.4	Very high	83.9	Confident	24 Å²	24	64 Å²	64	11%	0.111	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.9	167.1	170.3	-152.1	0	0	0	108.6	D856 F858 F863 Q891 T892	D856-H954 IonicContact OD1-CD2 3.76Å; D856-H954 IonicContact OD1-CE1 3.97Å; D856-H954 PolarHBondContact OD1-CE1 2.94Å; D856-H954 IonicContact OD1-NE2 2.75Å; D856-H954 PolarHBondContact OD1-NE2 3.05Å; F858-H954 HydrophobicContact CD1-CB 3.88Å; F858-H954 AromaticContact CD1-CD2 3.64Å; F858-H954 AromaticContact CD1-CG 3.8Å; F858-H954 HydrophobicContact CE1-CB 4.01Å; F858-H954 AromaticContact CE1-CD2 3.24Å; F858-H954 WeakPolarHBondContact CE1-CD2 3.45Å; F858-H954 AromaticContact CE1-CE1 3.95Å; F858-H954 AromaticContact CE1-CG 3.45Å; F858-H954 VanDerWaalsContact CE1-CG 3.45Å; F858-H954 AromaticContact CE1-ND1 3.89Å; F858-H954 AromaticContact CE1-NE2 3.6Å; F858-H954 AromaticContact CZ-CD2 3.76Å; F858-H954 AromaticContact CZ-NE2 3.74Å; F863-H954 HydrophobicContact CD1-CB 4.43Å; F863-H954 HydrophobicContact CE1-CB 3.64Å; F863-H954 HydrophobicContact CE2-CB 4.49Å; F863-H954 HydrophobicContact CZ-CB 3.68Å; Q891-H954 HydrophobicContact CB-CB 4.44Å; Q891-H954 WeakPolarHBondContact CB-ND1 3.36Å; Q891-H954 PolarHBondContact N-O 2.81Å; T892-H954 PolarHBondContact N-O 3.44Å; T892-H954 PolarHBondContact O-N 3.27Å
955	V	90.4	Very high	81.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.1	-178.2	177.1	0	0	0	0	109.4	L857 L888 F890 F953	L857-V955 PolarHBondContact N-O 3.16Å; L857-V955 PolarHBondContact O-N 2.04Å; L857-V955 VanDerWaalsContact O-O 3.13Å; L888-V955 HydrophobicContact CB-CG1 3.99Å; L888-V955 HydrophobicContact CD2-CG1 3.93Å; L888-V955 HydrophobicContact CG-CG1 4.39Å; F890-V955 HydrophobicContact CD1-CG2 3.41Å; F890-V955 VanDerWaalsContact CD1-CG2 3.41Å; F890-V955 HydrophobicContact CE1-CG2 3.2Å; F890-V955 HydrophobicContact CG-CG2 4.16Å; F890-V955 HydrophobicContact CZ-CG2 3.81Å; F953-V955 HydrophobicContact CD2-CG2 3.79Å; F953-V955 HydrophobicContact CE2-CG2 4.42Å
956	R	90.9	Very high	78.5	Confident	97 Å²	97	76 Å²	76	37%	0.366	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.9	165.4	-81.2	177.1	172.9	164.5	-0.9	109.2	T854 K855 D856 L888 I889 Q891	T854-R956 HydrophobicContact CG2-CB 3.69Å; T854-R956 HydrophobicContact CG2-CG 4.05Å; K855-R956 CarbonylContact O-C 3.59Å; K855-R956 VanDerWaalsContact O-CA 3.32Å; K855-R956 WeakPolarHBondContact O-CA 3.29Å; D856-R956 WeakPolarHBondContact OD1-CG 3.18Å; D856-R956 IonicContact OD1-CZ 2.83Å; D856-R956 IonicContact OD1-NE 3.75Å; D856-R956 PolarHBondContact OD1-NE 3.24Å; D856-R956 IonicContact OD1-NH2 3.89Å; L888-R956 WeakPolarHBondContact CA-O 3.07Å; I889-R956 HydrophobicContact CB-CB 4.18Å; I889-R956 PolarHBondContact N-O 2.89Å; I889-R956 PolarHBondContact O-N 2.83Å; Q891-R956 HydrophobicContact CG-CG 4.21Å
957	Y	92	Very high	76.1	Confident	12 Å²	12	78 Å²	78	5%	0.047	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.7	176.7	66	-84.3	0	0	0	111.1	L848 A850 T854 K855 L857 I878 E887	L848-Y957 HydrophobicContact CD1-CE1 4.38Å; A850-Y957 HydrophobicContact CB-CD2 4.14Å; T854-Y957 WeakPolarHBondContact CA-O 3.33Å; K855-Y957 HydrophobicContact CB-CD1 4.26Å; K855-Y957 HydrophobicContact CB-CD2 4.42Å; K855-Y957 HydrophobicContact CB-CE1 3.65Å; K855-Y957 HydrophobicContact CB-CE2 3.85Å; K855-Y957 VanDerWaalsContact CB-CZ 3.42Å; K855-Y957 HydrophobicContact CD-CE2 3.94Å; K855-Y957 WeakPolarHBondContact CD-OH 3.27Å; K855-Y957 HydrophobicContact CG-CE2 4.44Å; K855-Y957 PolarHBondContact N-O 3.38Å; K855-Y957 WeakPolarHBondContact O-CD1 3.31Å; K855-Y957 PolarHBondContact O-N 2.99Å; L857-Y957 HydrophobicContact CB-CD1 3.99Å; L857-Y957 HydrophobicContact CB-CE1 3.97Å; I878-Y957 HydrophobicContact CD1-CD1 4.25Å; I878-Y957 HydrophobicContact CD1-CD2 4.37Å; I878-Y957 HydrophobicContact CD1-CG 3.99Å; I878-Y957 HydrophobicContact CG2-CD2 3.64Å; I878-Y957 HydrophobicContact CG2-CE2 4.1Å; I878-Y957 HydrophobicContact CG2-CG 4.27Å; E887-Y957 VanDerWaalsContact O-CA 3.26Å; E887-Y957 WeakPolarHBondContact O-CA 3.27Å
958	T	92	Very high	73.9	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.067	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.2	179.5	-167.7	0	0	0	0	110.9	E851 V852 E887 T960	E851-T958 PolarHBondContact O-OG1 3.46Å; V852-T958 PolarHBondContact O-OG1 3.29Å; E887-T958 HydrophobicContact CB-CG2 3.92Å; E887-T958 HydrophobicContact CG-CG2 4.28Å; E887-T958 PolarHBondContact N-O 3.27Å; E887-T958 PolarHBondContact O-N 2.03Å; E887-T958 WeakPolarHBondContact OE2-CG2 3.41Å; T958-T960 HydrophobicContact CG2-CG2 4.15Å
959	S	90.6	Very high	71.6	Confident	13 Å²	13	86.2 Å²	86.2	9%	0.091	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.8	174.6	-175.7	0	0	0	0	110.1	E851 Y884 G885	E851-S959 VanDerWaalsContact C-CB 3.49Å; E851-S959 PolarHBondContact O-N 3.42Å; Y884-S959 VanDerWaalsContact CB-OG 3.28Å; Y884-S959 WeakPolarHBondContact CB-OG 3.28Å; G885-S959 WeakPolarHBondContact O-CA 3.4Å
960	T	84.1	Confident	69	Low	39 Å²	39	96.9 Å²	96.9	24%	0.239	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.5	178.3	54.5	0	0	0	0	109.8	Y884 G885 E887 T958	Y884-T960 CarbonylContact C-O 3.57Å; Y884-T960 VanDerWaalsContact CA-O 3.22Å; Y884-T960 WeakPolarHBondContact CA-O 3.28Å; Y884-T960 VanDerWaalsContact CB-O 3.3Å; Y884-T960 WeakPolarHBondContact CB-O 3.1Å; Y884-T960 WeakPolarHBondContact CD1-O 3Å; G885-T960 PolarHBondContact N-O 3.42Å; G885-T960 PolarHBondContact O-N 3.4Å; E887-T960 HydrophobicContact CB-CG2 3.67Å; E887-T960 HydrophobicContact CG-CG2 4.41Å; E887-T960 WeakPolarHBondContact OE2-CG2 3.34Å; T958-T960 HydrophobicContact CG2-CG2 4.15Å
961	K	79.9	Confident	68	Low	148 Å²	148	97 Å²	97	64%	0.643	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.8	175.5	-166.7	177.5	179.7	-176	0	108.1	Y884 Q963	Y884-K961 VanDerWaalsContact CD1-CA 3.46Å; Y884-K961 HydrophobicContact CD1-CB 3.91Å; Y884-K961 HydrophobicContact CD1-CG 4.4Å; Y884-K961 HydrophobicContact CE1-CB 3.67Å; Y884-K961 HydrophobicContact CE1-CG 4.01Å; K961-Q963 PolarHBondContact O-N 2.99Å
962	F	71.8	Confident	67	Low	82 Å²	82	98 Å²	98	36%	0.36	47%	0.47	S	S	.	.			trans	-53.5	118.5	171.7	-69.8	-62.6	0	0	0	108.6	G883 Y884 A934 G935 D964	G883-F962 VanDerWaalsContact C-CE2 3.48Å; G883-F962 WeakPolarHBondContact O-CD2 3.1Å; Y884-F962 VanDerWaalsContact C-CE2 3.5Å; Y884-F962 WeakPolarHBondContact O-CE2 3.03Å; Y884-F962 WeakPolarHBondContact O-CZ 3.38Å; A934-F962 VanDerWaalsContact O-CE1 3.28Å; A934-F962 WeakPolarHBondContact O-CE1 3.48Å; G935-F962 WeakPolarHBondContact O-CZ 3.31Å; F962-D964 PolarHBondContact O-N 3.37Å
963	Q	54.2	Low	65.7	Low	192 Å²	192	103.4 Å²	103.4	90%	0.897	50%	0.496	S	S	*	.			trans	-71.3	115.9	170.6	-75.1	-171.7	-6.3	0	0	107.5	K961 T965	K961-Q963 PolarHBondContact O-N 2.99Å; Q963-T965 PolarHBondContact O-N 3.35Å
964	D	41.4	Very low	64.3	Low	153 Å²	153	109.5 Å²	109.5	82%	0.818	53%	0.525	S	S	*	.			trans	-60.1	104.3	166.5	-85.1	-38.2	0	0	0	108.7	F962	F962-D964 PolarHBondContact O-N 3.37Å
965	T	36.5	Very low	62.6	Low	123 Å²	123	114.9 Å²	114.9	76%	0.755	55%	0.551	S	S	*	*			trans	46.9	125.8	157.7	55.9	0	0	0	0	119.3	Q963	Q963-T965 PolarHBondContact O-N 3.35Å
966	L	35.2	Very low	60.7	Low	163 Å²	163	122.5 Å²	122.5	85%	0.853	59%	0.588	S	S	*	*				-169.6	106.6	126.2	-101.5	149.8	0	0	0	112.4
967	H	39.8	Very low	58.5	Low	180 Å²	180	124.4 Å²	124.4	83%	0.833	60%	0.604	S	S	*	*			trans	-45.4	133.1	141.2	-75.6	-51.6	0	0	0	110
968	S	34.8	Very low	56	Low	102 Å²	102	133 Å²	133	71%	0.713	65%	0.646	S	S	*	*			trans	155.6	124.3	136.7	-71.3	0	0	0	0	112.9
969	R	34.5	Very low	53	Low	246 Å²	246	143.2 Å²	143.2	93%	0.928	70%	0.695	S	S	*	*			trans	77.8	127.4	160.7	-60.9	170.8	167.8	-179.2	-3.5	115.2
970	K	32.8	Very low	49.5	Very low	277 Å²	277	155 Å²	155	100%	1.204	75%	0.75	S	S	*	*			cis	-157.7	0	19.7	-148.2	-177.2	-170.1	-175.7	0	110

Retrieved 970 of 970 residues in 392.4 ms (Link to these results)

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