A0A087XWG3_POEFO Loading...

DNA-3-methyladenine glycosylase

Hydrolysis of the deoxyribose N-glycosidic bond to excise 3-methyladenine, and 7-methylguanine from the damaged DNA polymer formed by alkylation lesions.

AlphaFold DB , UniProt , Accession A0A087XWG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 aa.

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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	40.3	Very low	33.2	Very low	237 Å²	237	179.4 Å²	179.4	100%	1.167	89%	0.892	S	S	*	*				0	149.2	0	-83.4	179	-179.8	0	0	108.8
2	M	34.7	Very low	33	Very low	187 Å²	187	179.3 Å²	179.3	92%	0.921	90%	0.896	S	S	*	*			trans	80.7	128.8	-179.5	-54.1	-65.1	-175.7	0	0	115.8
3	A	33.8	Very low	32.8	Very low	91 Å²	91	172.9 Å²	172.9	75%	0.752	89%	0.888	S	S	*	*			cis	-167.9	126.2	-33.6	0	0	0	0	0	103.9
4	G	30.2	Very low	32.6	Very low	81 Å²	81	170.1 Å²	170.1	84%	0.835	88%	0.883	S	S	*	*			trans	-73.2	147.3	-179.6	0	0	0	0	0	112.9
5	R	35.2	Very low	32.4	Very low	252 Å²	252	165.4 Å²	165.4	95%	0.951	88%	0.878	S	S	*	*			trans	-120.5	95.7	163.7	-118.8	176.9	-179.4	176.1	0.1	108.9
6	K	32.9	Very low	32.1	Very low	211 Å²	211	163.2 Å²	163.2	92%	0.917	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-69.9	129.2	169.2	-72.1	179.8	174.6	-179.6	0	108.7
7	R	35.6	Very low	32	Very low	246 Å²	246	159.6 Å²	159.6	93%	0.928	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-97.3	128.2	166.4	-92.3	-174.6	-96.9	-170.2	-4.9	109.3
8	K	31.6	Very low	31.7	Very low	202 Å²	202	157.6 Å²	157.6	88%	0.878	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-59.4	135.4	178.1	-96.4	172.1	166	178.9	0	111.1
9	V	29.7	Very low	31.7	Very low	130 Å²	130	158.7 Å²	158.7	79%	0.788	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-81.8	132.3	160.8	-178.9	0	0	0	0	106.7
10	Q	32.7	Very low	31.5	Very low	182 Å²	182	157.2 Å²	157.2	85%	0.85	86%	0.859	S	S	*	*			trans	-111.5	119.4	167.5	-88.5	176.6	-23.2	0	0	107.5
11	D	28.8	Very low	31.3	Very low	154 Å²	154	159.1 Å²	159.1	82%	0.824	86%	0.862	S	S	*	*			trans	-65.1	135.2	168.6	-69	-47.6	0	0	0	109.7
12	L	30.5	Very low	30.9	Very low	179 Å²	179	153.7 Å²	153.7	94%	0.937	85%	0.848	S	S	*	*			trans	-115.1	121.1	164.5	-140.5	81.8	0	0	0	109
13	A	30.8	Very low	30.5	Very low	96 Å²	96	148.6 Å²	148.6	79%	0.793	84%	0.843	S	S	*	*			trans	-68.7	151	-171.3	0	0	0	0	0	113.9
14	V	29.6	Very low	30.2	Very low	134 Å²	134	151.8 Å²	151.8	81%	0.812	85%	0.847	S	S	*	*			trans	-61.8	129.1	166.7	175.4	0	0	0	0	110	T16	V14-T16 HydrophobicContact CG1-CG2 4.49Å
15	A	30.5	Very low	30.5	Very low	99 Å²	99	153.5 Å²	153.5	82%	0.818	84%	0.843	S	S	*	*			trans	-115.9	110.3	165.8	0	0	0	0	0	109.5
16	T	26.5	Very low	30.3	Very low	130 Å²	130	148.6 Å²	148.6	80%	0.798	84%	0.835	S	S	*	*			trans	-73.9	130.6	167.3	43.7	0	0	0	0	110.2	V14	V14-T16 HydrophobicContact CG1-CG2 4.49Å
17	A	30.3	Very low	30.1	Very low	103 Å²	103	150 Å²	150	85%	0.851	84%	0.835	S	S	*	*			trans	-125.4	113.9	164.4	0	0	0	0	0	109.2
18	T	27.4	Very low	29.8	Very low	122 Å²	122	148.2 Å²	148.2	75%	0.748	83%	0.828	S	S	*	*			trans	-71.5	135.8	169.5	45.1	0	0	0	0	110.7
19	H	30.8	Very low	29.7	Very low	180 Å²	180	145.7 Å²	145.7	83%	0.833	82%	0.824	S	S	*	*			trans	-157.3	103.4	148.3	-97.9	-60.3	0	0	0	111.9
20	T	29	Very low	29.7	Very low	127 Å²	127	147.8 Å²	147.8	78%	0.779	83%	0.825	S	S	*	*			trans	42.7	117.6	131.8	43.9	0	0	0	0	121.1
21	E	27.5	Very low	29.6	Very low	198 Å²	198	145.5 Å²	145.5	93%	0.925	82%	0.824	S	S	*	*			trans	-59.9	147.3	163.4	-63.3	177	128.2	0	0	113.9
22	S	30.1	Very low	29.8	Very low	123 Å²	123	146.8 Å²	146.8	86%	0.86	83%	0.825	S	S	*	*			trans	-155.7	117.1	143.4	56.5	0	0	0	0	112.4
23	G	27.5	Very low	30	Very low	80 Å²	80	144.5 Å²	144.5	83%	0.825	82%	0.82	S	S	*	*			trans	67.4	101.1	130.1	0	0	0	0	0	121.7
24	L	28.2	Very low	30	Very low	158 Å²	158	146.8 Å²	146.8	83%	0.827	82%	0.819	S	S	*	*			trans	-44.9	168.7	152.6	-79.1	159.4	0	0	0	114.9
25	P	36.1	Very low	29.9	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	82%	0.824	S	S	*	*			cis	-146.4	171.4	32.3	37.5	-14.4	0	0	0	120.1
26	L	31.3	Very low	29.7	Very low	149 Å²	149	145.5 Å²	145.5	78%	0.78	82%	0.82	S	S	*	*			trans	-31.8	139.1	162	-71.7	114.4	0	0	0	116.6
27	R	28.1	Very low	30	Very low	242 Å²	242	144.5 Å²	144.5	91%	0.913	83%	0.825	S	S	*	*			trans	-143	112.2	139.6	-95.5	-168.4	-178.9	-160.4	-0.4	112.7
28	R	29.3	Very low	29.9	Very low	208 Å²	208	145.1 Å²	145.1	79%	0.785	82%	0.823	S	S	*	*			trans	-66.9	141.6	160	-148.3	176.6	-167.2	174	1.8	107.9
29	N	29.6	Very low	30.6	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	82%	0.823	S	S	*	*			trans	-157.9	96.2	151.3	-94.9	-11.9	0	0	0	109.3
30	Q	29.5	Very low	30.4	Very low	174 Å²	174	140.5 Å²	140.5	81%	0.813	82%	0.819	S	S	*	*			trans	-87.1	132.5	154.8	-72.2	171.8	-12.3	0	0	106.5
31	T	31.5	Very low	30.5	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	83%	0.826	S	S	*	*			trans	-120.7	108.8	168.2	40.3	0	0	0	0	107.6
32	E	33	Very low	30.6	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.3	154.8	155.6	-63.8	-170.2	159.5	0	0	109.4
33	P	34.7	Very low	30.7	Very low	130 Å²	130	147.5 Å²	147.5	84%	0.844	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-100.9	122.4	150.5	22.9	-6.6	0	0	0	110.5
34	N	29.7	Very low	31	Very low	144 Å²	144	148.7 Å²	148.7	77%	0.77	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79.9	139.2	168.7	-173.7	10.5	0	0	0	110
35	C	27.4	Very low	31.2	Very low	136 Å²	136	150.3 Å²	150.3	92%	0.919	83%	0.826	S	S	*	*			trans	-146.7	102.5	154.9	-103.3	0	0	0	0	109.2
36	G	27.1	Very low	31.1	Very low	70 Å²	70	153.6 Å²	153.6	72%	0.722	83%	0.831	S	S	*	*			trans	-91.2	142	165.5	0	0	0	0	0	111.7
37	A	31.7	Very low	31.7	Very low	110 Å²	110	151.5 Å²	151.5	91%	0.909	83%	0.826	S	S	*	*			trans	-176.8	139.4	138.3	0	0	0	0	0	110.4
38	S	28.5	Very low	31.8	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	82%	0.823	S	S	*	*			trans	-137	172.2	171.8	-157	0	0	0	0	106.4
39	P	41.1	Very low	32.2	Very low	116 Å²	116	146.3 Å²	146.3	75%	0.753	83%	0.831	S	S	*	*			cis	-135.7	178.6	-7.5	30.4	-7.9	0	0	0	115.6
40	A	28.4	Very low	32.1	Very low	90 Å²	90	145.3 Å²	145.3	74%	0.744	83%	0.834	S	S	*	*			trans	89.9	113.5	144.6	0	0	0	0	0	121.1
41	K	31.1	Very low	32.5	Very low	214 Å²	214	145.3 Å²	145.3	93%	0.93	83%	0.834	S	S	*	*				-165.2	120.2	108.4	-101.8	168.5	-172.7	177	0	111.9
42	L	29.4	Very low	32.7	Very low	173 Å²	173	143.9 Å²	143.9	91%	0.906	83%	0.829	S	S	*	*			trans	-63.6	132.4	170.4	-121.4	74.9	0	0	0	110.8
43	K	31.3	Very low	32.9	Very low	208 Å²	208	142.1 Å²	142.1	90%	0.904	83%	0.831	S	S	*	*			trans	-142.5	130.1	142.9	-82.4	-166.7	178.4	176.7	0	110.2
44	S	34.1	Very low	33	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	83%	0.827	S	S	*	*			trans	-58.4	143.3	178.8	53.4	0	0	0	0	114.2
45	Q	32.1	Very low	33.6	Very low	193 Å²	193	142 Å²	142	90%	0.902	83%	0.826	S	S	*	*			trans	-169.5	120.7	133	-100.6	160.9	26.9	0	0	109.7
46	Q	33.3	Very low	34.1	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	82%	0.824	S	S	*	*			trans	-67.5	171.9	160.8	-86.2	178.9	-15.4	0	0	109.9
47	P	44.2	Very low	34.8	Very low	104 Å²	104	147.9 Å²	147.9	68%	0.675	83%	0.826	S	S	*	*			cis	-139.7	177.4	13.8	26.5	-1.3	0	0	0	114.5
48	L	29.9	Very low	35.4	Very low	161 Å²	161	148 Å²	148	84%	0.843	82%	0.817	S	S	*	*				158.2	122.4	122.8	-82.1	157.8	0	0	0	109.9	C50	L48-C50 PolarHBondContact O-N 3.33Å
49	L	38.7	Very low	36.2	Very low	180 Å²	180	151.6 Å²	151.6	94%	0.942	82%	0.822	S	S	*	*			trans	-61.6	128.2	169.8	-84	126.9	0	0	0	109.6
50	C	27.6	Very low	36.6	Very low	128 Å²	128	157.5 Å²	157.5	87%	0.865	83%	0.829	S	S	*	*			trans	-131.5	125	160.1	-169.6	0	0	0	0	107.3	L48	L48-C50 PolarHBondContact O-N 3.33Å
51	E	37.4	Very low	37.4	Very low	175 Å²	175	155.5 Å²	155.5	82%	0.818	81%	0.81	S	S	*	*			trans	-65.7	159.8	-170.3	-66.5	171.7	145.9	0	0	112.7	V53	E51-V53 PolarHBondContact O-N 3.33Å
52	S	36.7	Very low	38.3	Very low	102 Å²	102	152 Å²	152	71%	0.713	80%	0.796	S	S	*	*			trans	-44.3	125.1	-178.8	51.8	0	0	0	0	114.3	Q54	S52-Q54 PolarHBondContact O-N 3.32Å
53	V	36.5	Very low	39.3	Very low	146 Å²	146	153 Å²	153	89%	0.885	79%	0.789	S	S	*	*			trans	-69.8	99.1	165.8	-169.9	0	0	0	0	107.9	E51	E51-V53 PolarHBondContact O-N 3.33Å
54	Q	37.3	Very low	39.9	Very low	162 Å²	162	151 Å²	151	76%	0.757	78%	0.781	S	S	*	*			trans	-66.6	135.8	165.6	-76.5	176.1	-22.2	0	0	109.1	S52 L56	S52-Q54 PolarHBondContact O-N 3.32Å; Q54-L56 PolarHBondContact O-N 3.05Å
55	S	41.9	Very low	40.1	Very low	108 Å²	108	152.2 Å²	152.2	76%	0.755	78%	0.779	S	S	*	*			trans	-48.5	114.6	175.5	48	0	0	0	0	112.2	E57	S55-E57 PolarHBondContact O-N 3.14Å
56	L	37.9	Very low	40.8	Very low	169 Å²	169	150.1 Å²	150.1	89%	0.885	77%	0.774	S	S	*	*			trans	-77.8	95.1	168.4	-70.5	165	0	0	0	108.8	Q54	Q54-L56 PolarHBondContact O-N 3.05Å
57	E	42.6	Very low	41.1	Very low	161 Å²	161	147.9 Å²	147.9	75%	0.752	77%	0.768	S	S	*	*			trans	-61.8	137.7	155.6	-74.6	-78.6	149.3	0	0	108.2	S55 E59	S55-E57 PolarHBondContact O-N 3.14Å; E57-E59 PolarHBondContact O-N 2.75Å
58	P	43	Very low	41.3	Very low	113 Å²	113	148.9 Å²	148.9	73%	0.734	76%	0.764	S	S	*	*			trans	-69.9	108.3	178.9	26.5	-29.6	0	0	0	109.9	R60	P58-R60 PolarHBondContact O-N 3.21Å
59	E	45.9	Very low	42.4	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	75%	0.749	S	S	*	*			trans	-50.8	108.8	168.7	-84.4	-94.9	151.5	0	0	110.1	E57 S61	E57-E59 PolarHBondContact O-N 2.75Å; E59-S61 PolarHBondContact O-N 3.49Å
60	R	48.8	Very low	43.4	Very low	239 Å²	239	144.9 Å²	144.9	90%	0.902	74%	0.743	S	S	*	*			trans	-69.9	119.4	171.6	-82.3	-178.5	174.9	176.9	-0.3	108.8	P58 H62	P58-R60 PolarHBondContact O-N 3.21Å; R60-H62 PolarHBondContact O-N 3.42Å
61	S	45.7	Very low	46.1	Very low	49 Å²	49	144.2 Å²	144.2	34%	0.343	72%	0.723	S	S	.	*			trans	-52.7	127.1	171.7	164.3	0	0	0	0	111.7	E59 Y63 F64	E59-S61 PolarHBondContact O-N 3.49Å; S61-Y63 PolarHBondContact O-N 3.04Å; S61-Y63 VanDerWaalsContact O-N 3.14Å; S61-Y63 WeakPolarHBondContact OG-CB 3.49Å; S61-Y63 PolarHBondContact OG-N 3.03Å; S61-F64 PolarHBondContact O-N 3.05Å
62	H	50.1	Low	48.9	Very low	139 Å²	139	138.9 Å²	138.9	64%	0.644	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-11.9	173.8	48.5	-86.4	0	0	0	113.5	R60 F64	R60-H62 PolarHBondContact O-N 3.42Å; H62-F64 VanDerWaalsContact C-N 3.32Å
63	Y	49.5	Very low	51.8	Low	194 Å²	194	134.7 Å²	134.7	76%	0.761	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-15.5	172.3	-62.6	-78.6	0	0	0	113.1	S61 N65	S61-Y63 PolarHBondContact O-N 3.04Å; S61-Y63 VanDerWaalsContact O-N 3.14Å; S61-Y63 WeakPolarHBondContact OG-CB 3.49Å; S61-Y63 PolarHBondContact OG-N 3.03Å; Y63-N65 PolarHBondContact O-N 3.1Å
64	F	44.3	Very low	54.6	Low	167 Å²	167	129.4 Å²	129.4	73%	0.732	64%	0.64	S	S	*	*			trans	-92.1	51.9	167.5	-70.6	-77.8	0	0	0	110.7	S61 H62 N66	S61-F64 PolarHBondContact O-N 3.05Å; H62-F64 VanDerWaalsContact C-N 3.32Å; F64-N66 PolarHBondContact O-N 3.1Å; F64-N66 VanDerWaalsContact O-N 3.1Å
65	N	38.8	Very low	57.4	Low	129 Å²	129	124.6 Å²	124.6	69%	0.69	62%	0.617	S	S	*	*			trans	-72.4	99.8	160.6	-110.2	0.2	0	0	0	106.8	Y63 N67	Y63-N65 PolarHBondContact O-N 3.1Å; N65-N67 HydrophobicContact CB-CB 4.44Å; N65-N67 PolarHBondContact O-N 3.12Å
66	N	45.8	Very low	60.1	Low	150 Å²	150	126.3 Å²	126.3	80%	0.802	62%	0.618	S	S	*	*			trans	-68.5	58.2	166.1	-76.3	-21.3	0	0	0	109.7	F64 E68	F64-N66 PolarHBondContact O-N 3.1Å; F64-N66 VanDerWaalsContact O-N 3.1Å; N66-E68 PolarHBondContact O-N 2.66Å; N66-E68 VanDerWaalsContact O-N 3.1Å
67	N	40.5	Very low	63	Low	138 Å²	138	120.2 Å²	120.2	74%	0.738	58%	0.584	S	S	*	*			trans	-84.5	36.1	178.1	-141.4	24.7	0	0	0	110.3	N65	N65-N67 HydrophobicContact CB-CB 4.44Å; N65-N67 PolarHBondContact O-N 3.12Å
68	E	48.4	Very low	65.6	Low	125 Å²	125	112.5 Å²	112.5	58%	0.584	55%	0.548	S	S	*	.	S	Bend	trans	-68.4	122.3	159.2	-76.8	-66.8	140.3	0	0	105.5	N66 Q70 R71	N66-E68 PolarHBondContact O-N 2.66Å; N66-E68 VanDerWaalsContact O-N 3.1Å; E68-Q70 PolarHBondContact O-N 3.37Å; E68-Q70 VanDerWaalsContact O-N 3.12Å; E68-R71 IonicContact OE2-CZ 3.77Å; E68-R71 IonicContact OE2-NE 3.74Å; E68-R71 IonicContact OE2-NH2 2.97Å; E68-R71 PolarHBondContact OE2-NH2 3.23Å
69	P	52.7	Low	68.2	Low	83 Å²	83	111.6 Å²	111.6	54%	0.539	54%	0.537	S	S	.	.			trans	-51	129	174.1	20.3	-29.5	0	0	0	107.3	R71	P69-R71 VanDerWaalsContact C-N 3.26Å; P69-R71 VanDerWaalsContact O-CG 3.25Å; P69-R71 WeakPolarHBondContact O-CG 3.25Å; P69-R71 PolarHBondContact O-N 2.97Å
70	Q	59.6	Low	70.7	Confident	175 Å²	175	104.7 Å²	104.7	82%	0.818	51%	0.505	S	S	*	.			trans	-60.7	90.7	-172.3	-167.2	172	7.6	0	0	108.9	E68 R72	E68-Q70 PolarHBondContact O-N 3.37Å; E68-Q70 VanDerWaalsContact O-N 3.12Å; Q70-R72 PolarHBondContact O-N 3.42Å
71	R	85.3	Confident	73.1	Confident	114 Å²	114	96.5 Å²	96.5	43%	0.43	48%	0.483	S	S	.	.			trans	-65.4	-32.1	-174.2	-57.7	-170.5	-170.9	-171.2	3.3	110.3	E68 P69 E231 D232	E68-R71 IonicContact OE2-CZ 3.77Å; E68-R71 IonicContact OE2-NE 3.74Å; E68-R71 IonicContact OE2-NH2 2.97Å; E68-R71 PolarHBondContact OE2-NH2 3.23Å; P69-R71 VanDerWaalsContact C-N 3.26Å; P69-R71 VanDerWaalsContact O-CG 3.25Å; P69-R71 WeakPolarHBondContact O-CG 3.25Å; P69-R71 PolarHBondContact O-N 2.97Å; R71-E231 HydrophobicContact CB-CB 4.16Å; R71-E231 HydrophobicContact CB-CG 3.81Å; R71-E231 WeakPolarHBondContact O-CA 3.44Å; R71-E231 VanDerWaalsContact O-CB 3.27Å; R71-E231 WeakPolarHBondContact O-CB 3.48Å; R71-D232 PolarHBondContact O-N 2.93Å; R71-D232 VanDerWaalsContact O-N 3.13Å
72	R	95.6	Very high	75.6	Confident	62 Å²	62	94.3 Å²	94.3	23%	0.234	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-71.8	130.8	-176.3	179.1	178.5	-71.3	-161.5	-8	112	Q70 A223 S224 D225 W229 L230	Q70-R72 PolarHBondContact O-N 3.42Å; R72-A223 WeakPolarHBondContact CD-O 3.06Å; R72-S224 VanDerWaalsContact NH1-C 3.27Å; R72-S224 PolarHBondContact NH1-O 3.05Å; R72-D225 PolarHBondContact NH1-O 3.47Å; R72-D225 PolarHBondContact NH2-O 3.23Å; R72-W229 HydrophobicContact CG-CB 4.12Å; R72-W229 HydrophobicContact CG-CG 4.34Å; R72-W229 VanDerWaalsContact CZ-CB 3.44Å; R72-W229 VanDerWaalsContact NE-CG 3.3Å; R72-W229 VanDerWaalsContact NH2-CB 3.32Å; R72-W229 VanDerWaalsContact NH2-CG 3.26Å; R72-L230 CarbonylContact C-O 3.55Å; R72-L230 VanDerWaalsContact CA-O 3.26Å; R72-L230 WeakPolarHBondContact CA-O 3.48Å
73	L	96.8	Very high	77.9	Confident	14 Å²	14	90 Å²	90	7%	0.073	45%	0.449	C	S	.	.			trans	-71.8	126.8	170.9	-59.1	178.9	0	0	0	110.9	F77 K92 L230 D232	L73-F77 HydrophobicContact CB-CB 4.07Å; L73-F77 HydrophobicContact CB-CD1 4.07Å; L73-F77 HydrophobicContact CB-CG 4.04Å; L73-F77 HydrophobicContact CD1-CD1 3.62Å; L73-F77 HydrophobicContact CD1-CD2 3.98Å; L73-F77 HydrophobicContact CD1-CE1 3.58Å; L73-F77 HydrophobicContact CD1-CE2 3.95Å; L73-F77 HydrophobicContact CD1-CG 3.82Å; L73-F77 HydrophobicContact CD1-CZ 3.75Å; L73-F77 HydrophobicContact CD2-CD2 4.3Å; L73-F77 HydrophobicContact CD2-CG 4.38Å; L73-F77 HydrophobicContact CG-CD1 4.4Å; L73-F77 HydrophobicContact CG-CG 4.31Å; L73-K92 HydrophobicContact CD1-CB 4.33Å; L73-K92 HydrophobicContact CD1-CD 3.95Å; L73-K92 HydrophobicContact CD1-CG 3.92Å; L73-L230 HydrophobicContact CB-CB 4.36Å; L73-L230 HydrophobicContact CD1-CB 3.83Å; L73-L230 HydrophobicContact CG-CB 4.27Å; L73-L230 PolarHBondContact N-O 2.77Å; L73-D232 WeakPolarHBondContact CD2-OD2 3.43Å
74	G	96.4	Very high	80.3	Confident	36 Å²	36	83.5 Å²	83.5	37%	0.371	43%	0.432	S	S	.	.			trans	-84.5	-177.4	179.8	0	0	0	0	0	114.2	D76 F77 F78	G74-D76 PolarHBondContact O-N 3.31Å; G74-F77 WeakPolarHBondContact O-CB 3.27Å; G74-F77 PolarHBondContact O-N 3.16Å; G74-F78 WeakPolarHBondContact O-CD2 3.35Å; G74-F78 WeakPolarHBondContact O-CE2 3.44Å
75	Q	96.8	Very high	82.9	Confident	60 Å²	60	75.6 Å²	75.6	28%	0.28	40%	0.397	S	S	.	.	H	α-helix	trans	-54.8	-37.6	-178.2	-177.4	62	70.9	0	0	113.2	F77 F78 N79 P140	Q75-F77 VanDerWaalsContact C-N 3.28Å; Q75-F77 PolarHBondContact O-N 2.63Å; Q75-F78 PolarHBondContact O-N 3.18Å; Q75-F78 VanDerWaalsContact O-N 3.13Å; Q75-N79 PolarHBondContact O-N 2.67Å; Q75-P140 PolarHBondContact NE2-O 2.95Å
76	D	97.4	Very high	85.7	Confident	144 Å²	144	69.4 Å²	69.4	77%	0.77	36%	0.364	S	S	*	.	H	α-helix	trans	-62.7	-33.6	-177.6	-63.6	-18.3	0	0	0	112.6	G74 F78 N79	G74-D76 PolarHBondContact O-N 3.31Å; D76-F78 VanDerWaalsContact C-N 3.26Å; D76-F78 PolarHBondContact O-N 3.13Å; D76-N79 PolarHBondContact O-N 2.76Å
77	F	98.2	Very high	88.2	Confident	41 Å²	41	66.2 Å²	66.2	18%	0.18	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-34.9	177.1	175.7	-95	0	0	0	112.2	L73 G74 Q75 Q80 L85 A88 F89 K92	L73-F77 HydrophobicContact CB-CB 4.07Å; L73-F77 HydrophobicContact CB-CD1 4.07Å; L73-F77 HydrophobicContact CB-CG 4.04Å; L73-F77 HydrophobicContact CD1-CD1 3.62Å; L73-F77 HydrophobicContact CD1-CD2 3.98Å; L73-F77 HydrophobicContact CD1-CE1 3.58Å; L73-F77 HydrophobicContact CD1-CE2 3.95Å; L73-F77 HydrophobicContact CD1-CG 3.82Å; L73-F77 HydrophobicContact CD1-CZ 3.75Å; L73-F77 HydrophobicContact CD2-CD2 4.3Å; L73-F77 HydrophobicContact CD2-CG 4.38Å; L73-F77 HydrophobicContact CG-CD1 4.4Å; L73-F77 HydrophobicContact CG-CG 4.31Å; G74-F77 WeakPolarHBondContact O-CB 3.27Å; G74-F77 PolarHBondContact O-N 3.16Å; Q75-F77 VanDerWaalsContact C-N 3.28Å; Q75-F77 PolarHBondContact O-N 2.63Å; F77-Q80 PolarHBondContact O-NE2 2.89Å; F77-L85 HydrophobicContact CD1-CD1 4.32Å; F77-L85 HydrophobicContact CE1-CD1 3.93Å; F77-L85 HydrophobicContact CZ-CD1 4.46Å; F77-L85 WeakPolarHBondContact O-CD1 3.34Å; F77-A88 HydrophobicContact CE2-CB 3.96Å; F77-A88 HydrophobicContact CZ-CB 3.92Å; F77-F89 HydrophobicContact CD1-CE1 4.48Å; F77-F89 AromaticContact CE1-CD1 3.61Å; F77-F89 HydrophobicContact CE1-CD1 3.61Å; F77-F89 AromaticContact CE1-CE1 3.61Å; F77-F89 HydrophobicContact CE1-CE1 3.61Å; F77-F89 HydrophobicContact CZ-CD1 4.02Å; F77-F89 HydrophobicContact CZ-CE1 4.45Å; F77-K92 HydrophobicContact CZ-CG 4.03Å
78	F	98.6	Very high	91	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-82	-25	-178.9	-59.1	-75.6	0	0	0	112.9	G74 Q75 D76 Q80 L85 F89 P140 V157 L222 A223 L230	G74-F78 WeakPolarHBondContact O-CD2 3.35Å; G74-F78 WeakPolarHBondContact O-CE2 3.44Å; Q75-F78 PolarHBondContact O-N 3.18Å; Q75-F78 VanDerWaalsContact O-N 3.13Å; D76-F78 VanDerWaalsContact C-N 3.26Å; D76-F78 PolarHBondContact O-N 3.13Å; F78-Q80 PolarHBondContact O-N 2.69Å; F78-L85 HydrophobicContact CD1-CD1 4.44Å; F78-F89 HydrophobicContact CD1-CE1 4.14Å; F78-F89 HydrophobicContact CD1-CZ 4.2Å; F78-F89 AromaticContact CE1-CE1 3.8Å; F78-F89 HydrophobicContact CE1-CE1 3.8Å; F78-F89 HydrophobicContact CE1-CZ 4.08Å; F78-P140 HydrophobicContact CB-CB 4.08Å; F78-P140 VanDerWaalsContact O-CB 3.26Å; F78-P140 WeakPolarHBondContact O-CB 3.33Å; F78-V157 HydrophobicContact CD1-CG1 3.95Å; F78-V157 HydrophobicContact CE1-CG1 4.14Å; F78-L222 HydrophobicContact CE1-CB 4.33Å; F78-L222 HydrophobicContact CE1-CD2 3.77Å; F78-L222 HydrophobicContact CE1-CG 4.24Å; F78-L222 HydrophobicContact CZ-CB 4.04Å; F78-L222 HydrophobicContact CZ-CD2 3.97Å; F78-L222 HydrophobicContact CZ-CG 3.94Å; F78-A223 HydrophobicContact CD2-CB 4.06Å; F78-A223 HydrophobicContact CE2-CB 3.77Å; F78-L230 HydrophobicContact CE1-CD1 3.74Å; F78-L230 HydrophobicContact CZ-CD1 3.98Å
79	N	98	Very high	93.4	Very high	93 Å²	93	55 Å²	55	50%	0.497	29%	0.291	S	S	.	.	S	Bend	trans	-80.7	67.3	-175.7	-169.3	40.2	0	0	0	112	Q75 D76	Q75-N79 PolarHBondContact O-N 2.67Å; D76-N79 PolarHBondContact O-N 2.76Å
80	Q	98.3	Very high	95.6	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	27%	0.266	C	S	.	.	S	Bend	trans	-149.6	161.6	178.8	60	-179.9	-21	0	0	111.1	F77 F78 L85 E160	F77-Q80 PolarHBondContact O-NE2 2.89Å; F78-Q80 PolarHBondContact O-N 2.69Å; Q80-L85 HydrophobicContact CG-CB 3.81Å; Q80-L85 HydrophobicContact CG-CD1 4.02Å; Q80-L85 HydrophobicContact CG-CG 4.45Å; Q80-E160 WeakPolarHBondContact CA-OE2 3.32Å; Q80-E160 WeakPolarHBondContact O-CB 3.32Å; Q80-E160 PolarHBondContact O-N 3.47Å
81	P	98.5	Very high	97.4	Very high	67 Å²	67	43.3 Å²	43.3	44%	0.435	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-58.3	144.4	-176.9	-27.1	36.5	0	0	0	112.3	I83 S84 L85 E160	P81-I83 VanDerWaalsContact C-N 3.3Å; P81-I83 PolarHBondContact O-N 2.85Å; P81-I83 VanDerWaalsContact O-N 3.09Å; P81-S84 WeakPolarHBondContact O-CA 3.49Å; P81-S84 WeakPolarHBondContact O-CB 3.35Å; P81-S84 PolarHBondContact O-N 2.65Å; P81-L85 PolarHBondContact O-N 3.28Å; P81-E160 WeakPolarHBondContact CD-OE2 3.32Å
82	C	98.6	Very high	98	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-50	-42.5	-170.9	-169.2	0	0	0	0	115.2	A86 L115 S159 A164 A165 V166	C82-A86 WeakPolarHBondContact O-CB 3.49Å; C82-A86 PolarHBondContact O-N 3.34Å; C82-L115 HydrophobicContact CB-CD2 3.69Å; C82-S159 VanDerWaalsContact CA-OG 3.24Å; C82-S159 WeakPolarHBondContact CA-OG 3.31Å; C82-S159 WeakPolarHBondContact CB-OG 3.22Å; C82-A164 HydrophobicContact CB-CB 4.07Å; C82-A165 PolarHBondContact SG-O 3.4Å; C82-A165 VanDerWaalsContact SG-O 3.35Å; C82-V166 WeakPolarHBondContact O-CG2 3.36Å
83	I	98.6	Very high	98.2	Very high	50 Å²	50	36.6 Å²	36.6	26%	0.256	21%	0.207	S	C	.	.	H	α-helix	trans	-68.7	-42	179.1	-72.7	169.2	0	0	0	110.9	P81 A86 K87 A113 L115 F265	P81-I83 VanDerWaalsContact C-N 3.3Å; P81-I83 PolarHBondContact O-N 2.85Å; P81-I83 VanDerWaalsContact O-N 3.09Å; I83-A86 PolarHBondContact O-N 3.29Å; I83-K87 WeakPolarHBondContact O-CG 3.49Å; I83-K87 PolarHBondContact O-N 3.42Å; I83-K87 VanDerWaalsContact O-N 3.13Å; I83-A113 HydrophobicContact CG1-CB 4.06Å; I83-L115 HydrophobicContact CD1-CD1 4.24Å; I83-L115 HydrophobicContact CD1-CD2 4.38Å; I83-L115 HydrophobicContact CG1-CD2 4.27Å; I83-F265 HydrophobicContact CB-CZ 4.49Å; I83-F265 HydrophobicContact CG1-CZ 4.39Å; I83-F265 HydrophobicContact CG2-CE2 4.33Å; I83-F265 HydrophobicContact CG2-CZ 3.76Å
84	S	98.6	Very high	98.3	Very high	57 Å²	57	36 Å²	36	40%	0.399	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-45.4	176	-56.7	0	0	0	0	110.5	P81 A86 K87 A88	P81-S84 WeakPolarHBondContact O-CA 3.49Å; P81-S84 WeakPolarHBondContact O-CB 3.35Å; P81-S84 PolarHBondContact O-N 2.65Å; S84-A86 PolarHBondContact O-N 2.8Å; S84-K87 PolarHBondContact O-N 3.23Å; S84-A88 VanDerWaalsContact O-CB 3.27Å; S84-A88 WeakPolarHBondContact O-CB 3.26Å; S84-A88 PolarHBondContact O-N 3.03Å
85	L	98.8	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-44.3	175.4	-172.8	59.3	0	0	0	112.1	F77 F78 Q80 P81 K87 A88 F89 V166	F77-L85 HydrophobicContact CD1-CD1 4.32Å; F77-L85 HydrophobicContact CE1-CD1 3.93Å; F77-L85 HydrophobicContact CZ-CD1 4.46Å; F77-L85 WeakPolarHBondContact O-CD1 3.34Å; F78-L85 HydrophobicContact CD1-CD1 4.44Å; Q80-L85 HydrophobicContact CG-CB 3.81Å; Q80-L85 HydrophobicContact CG-CD1 4.02Å; Q80-L85 HydrophobicContact CG-CG 4.45Å; P81-L85 PolarHBondContact O-N 3.28Å; L85-K87 VanDerWaalsContact C-N 3.3Å; L85-K87 PolarHBondContact O-N 2.67Å; L85-A88 PolarHBondContact O-N 3.02Å; L85-F89 HydrophobicContact CD1-CD1 4.35Å; L85-F89 HydrophobicContact CD1-CE1 3.94Å; L85-F89 HydrophobicContact CD1-CE2 4.48Å; L85-F89 HydrophobicContact CD1-CZ 3.99Å; L85-F89 HydrophobicContact CD2-CE2 4.31Å; L85-F89 HydrophobicContact CD2-CZ 4.11Å; L85-F89 HydrophobicContact CG-CD2 4.44Å; L85-F89 HydrophobicContact CG-CE1 4.37Å; L85-F89 HydrophobicContact CG-CE2 4.04Å; L85-F89 HydrophobicContact CG-CZ 3.97Å; L85-F89 PolarHBondContact O-N 2.84Å; L85-V166 HydrophobicContact CB-CG2 4.04Å; L85-V166 HydrophobicContact CD2-CG2 4.07Å; L85-V166 HydrophobicContact CG-CG2 4.06Å
86	A	98.9	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-38.8	-179.1	0	0	0	0	0	112.7	C82 I83 S84 T111 A113 V166 F265	C82-A86 WeakPolarHBondContact O-CB 3.49Å; C82-A86 PolarHBondContact O-N 3.34Å; I83-A86 PolarHBondContact O-N 3.29Å; S84-A86 PolarHBondContact O-N 2.8Å; A86-T111 PolarHBondContact O-OG1 3.18Å; A86-A113 HydrophobicContact CB-CB 4.09Å; A86-V166 HydrophobicContact CB-CB 4.4Å; A86-V166 HydrophobicContact CB-CG1 3.67Å; A86-V166 HydrophobicContact CB-CG2 3.81Å; A86-F265 HydrophobicContact CB-CD2 3.55Å; A86-F265 HydrophobicContact CB-CE2 3.72Å
87	K	98.6	Very high	98.5	Very high	82 Å²	82	30 Å²	30	36%	0.357	16%	0.157	S	C	.	.	H	α-helix	trans	-71.1	-43.2	172.8	-67.6	177.9	-179.3	-178.1	0	111.6	I83 S84 L85 F89 L90 I244 F265	I83-K87 WeakPolarHBondContact O-CG 3.49Å; I83-K87 PolarHBondContact O-N 3.42Å; I83-K87 VanDerWaalsContact O-N 3.13Å; S84-K87 PolarHBondContact O-N 3.23Å; L85-K87 VanDerWaalsContact C-N 3.3Å; L85-K87 PolarHBondContact O-N 2.67Å; K87-F89 PolarHBondContact O-N 2.87Å; K87-L90 WeakPolarHBondContact O-CB 3.22Å; K87-L90 PolarHBondContact O-N 3.25Å; K87-I244 HydrophobicContact CB-CD1 4.38Å; K87-F265 HydrophobicContact CD-CD1 4.4Å; K87-F265 HydrophobicContact CD-CE1 4.4Å; K87-F265 HydrophobicContact CG-CB 4.44Å; K87-F265 HydrophobicContact CG-CD1 3.85Å; K87-F265 HydrophobicContact CG-CD2 4.23Å; K87-F265 HydrophobicContact CG-CE1 4.18Å; K87-F265 HydrophobicContact CG-CG 3.88Å; K87-F265 HydrophobicContact CG-CZ 4.49Å
88	A	98.3	Very high	98.5	Very high	29 Å²	29	31.1 Å²	31.1	24%	0.24	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-26.5	-178.8	0	0	0	0	0	113.4	F77 S84 L85 L90 K92	F77-A88 HydrophobicContact CE2-CB 3.96Å; F77-A88 HydrophobicContact CZ-CB 3.92Å; S84-A88 VanDerWaalsContact O-CB 3.27Å; S84-A88 WeakPolarHBondContact O-CB 3.26Å; S84-A88 PolarHBondContact O-N 3.03Å; L85-A88 PolarHBondContact O-N 3.02Å; A88-L90 VanDerWaalsContact C-N 3.29Å; A88-L90 PolarHBondContact O-N 2.66Å; A88-K92 VanDerWaalsContact O-CE 3.22Å; A88-K92 WeakPolarHBondContact O-CE 3.46Å; A88-K92 WeakPolarHBondContact O-CG 3.46Å
89	F	98.7	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.2	171.9	-83.7	-25.9	0	0	0	113.6	F77 F78 L85 K87 G91 K92 I108 T111 V157 V166 L168 L230	F77-F89 HydrophobicContact CD1-CE1 4.48Å; F77-F89 AromaticContact CE1-CD1 3.61Å; F77-F89 HydrophobicContact CE1-CD1 3.61Å; F77-F89 AromaticContact CE1-CE1 3.61Å; F77-F89 HydrophobicContact CE1-CE1 3.61Å; F77-F89 HydrophobicContact CZ-CD1 4.02Å; F77-F89 HydrophobicContact CZ-CE1 4.45Å; F78-F89 HydrophobicContact CD1-CE1 4.14Å; F78-F89 HydrophobicContact CD1-CZ 4.2Å; F78-F89 AromaticContact CE1-CE1 3.8Å; F78-F89 HydrophobicContact CE1-CE1 3.8Å; F78-F89 HydrophobicContact CE1-CZ 4.08Å; L85-F89 HydrophobicContact CD1-CD1 4.35Å; L85-F89 HydrophobicContact CD1-CE1 3.94Å; L85-F89 HydrophobicContact CD1-CE2 4.48Å; L85-F89 HydrophobicContact CD1-CZ 3.99Å; L85-F89 HydrophobicContact CD2-CE2 4.31Å; L85-F89 HydrophobicContact CD2-CZ 4.11Å; L85-F89 HydrophobicContact CG-CD2 4.44Å; L85-F89 HydrophobicContact CG-CE1 4.37Å; L85-F89 HydrophobicContact CG-CE2 4.04Å; L85-F89 HydrophobicContact CG-CZ 3.97Å; L85-F89 PolarHBondContact O-N 2.84Å; K87-F89 PolarHBondContact O-N 2.87Å; F89-G91 PolarHBondContact O-N 2.96Å; F89-K92 WeakPolarHBondContact O-CB 3.34Å; F89-K92 WeakPolarHBondContact O-CG 3.39Å; F89-K92 PolarHBondContact O-N 3.24Å; F89-I108 HydrophobicContact CB-CD1 4.06Å; F89-I108 HydrophobicContact CB-CG2 4.33Å; F89-I108 HydrophobicContact CD1-CD1 4.35Å; F89-I108 HydrophobicContact CG-CD1 4.22Å; F89-I108 WeakPolarHBondContact O-CB 3.34Å; F89-T111 HydrophobicContact CB-CG2 3.9Å; F89-T111 HydrophobicContact CD2-CG2 4.26Å; F89-V157 HydrophobicContact CE2-CB 4.01Å; F89-V157 HydrophobicContact CE2-CG2 4.12Å; F89-V157 HydrophobicContact CZ-CB 3.78Å; F89-V157 HydrophobicContact CZ-CG1 3.99Å; F89-V157 HydrophobicContact CZ-CG2 3.89Å; F89-V166 HydrophobicContact CD2-CB 4.14Å; F89-V166 HydrophobicContact CD2-CG1 3.64Å; F89-V166 HydrophobicContact CE2-CB 3.82Å; F89-V166 HydrophobicContact CE2-CG1 3.83Å; F89-V166 HydrophobicContact CE2-CG2 4.42Å; F89-L168 HydrophobicContact CD2-CD2 3.65Å; F89-L168 HydrophobicContact CE2-CD2 3.93Å; F89-L168 HydrophobicContact CG-CD2 4.32Å; F89-L230 HydrophobicContact CD1-CD1 3.62Å; F89-L230 HydrophobicContact CE1-CD1 3.19Å; F89-L230 HydrophobicContact CZ-CD1 4.09Å
90	L	98.7	Very high	98.2	Very high	4 Å²	4	37 Å²	37	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	128	-178.7	-62.1	177.2	0	0	0	110.1	K87 A88 K92 I108 T111 P239 I244 F265 L267	K87-L90 WeakPolarHBondContact O-CB 3.22Å; K87-L90 PolarHBondContact O-N 3.25Å; A88-L90 VanDerWaalsContact C-N 3.29Å; A88-L90 PolarHBondContact O-N 2.66Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-I108 HydrophobicContact CD2-CG2 4.41Å; L90-T111 HydrophobicContact CD2-CG2 4.27Å; L90-P239 HydrophobicContact CB-CG 4.43Å; L90-P239 WeakPolarHBondContact O-CG 3.15Å; L90-I244 HydrophobicContact CD1-CB 4.29Å; L90-I244 HydrophobicContact CD1-CD1 4.02Å; L90-I244 HydrophobicContact CD1-CG1 3.81Å; L90-I244 HydrophobicContact CD1-CG2 3.62Å; L90-F265 HydrophobicContact CD1-CB 3.9Å; L90-L267 HydrophobicContact CB-CD2 4.02Å; L90-L267 HydrophobicContact CD1-CD2 4.34Å
91	G	98	Very high	98.1	Very high	7 Å²	7	37 Å²	37	7%	0.072	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-10.7	-175.2	0	0	0	0	0	115.1	F89 I108 D233	F89-G91 PolarHBondContact O-N 2.96Å; G91-I108 PolarHBondContact N-O 3.4Å; G91-D233 WeakPolarHBondContact O-CB 3.26Å
92	K	98.3	Very high	98.1	Very high	30 Å²	30	35.9 Å²	35.9	13%	0.13	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-75.7	154.1	173.5	-53.1	-52.2	-179	-169.7	0	111.1	L73 F77 A88 F89 L90 R107 I108 L230 D232	L73-K92 HydrophobicContact CD1-CB 4.33Å; L73-K92 HydrophobicContact CD1-CD 3.95Å; L73-K92 HydrophobicContact CD1-CG 3.92Å; F77-K92 HydrophobicContact CZ-CG 4.03Å; A88-K92 VanDerWaalsContact O-CE 3.22Å; A88-K92 WeakPolarHBondContact O-CE 3.46Å; A88-K92 WeakPolarHBondContact O-CG 3.46Å; F89-K92 WeakPolarHBondContact O-CB 3.34Å; F89-K92 WeakPolarHBondContact O-CG 3.39Å; F89-K92 PolarHBondContact O-N 3.24Å; L90-K92 VanDerWaalsContact C-N 3.33Å; K92-R107 CarbonylContact O-C 3.49Å; K92-R107 WeakPolarHBondContact O-CA 3.44Å; K92-I108 PolarHBondContact O-N 2.84Å; K92-L230 HydrophobicContact CB-CD2 4.33Å; K92-D232 WeakPolarHBondContact CD-OD1 3.44Å; K92-D232 WeakPolarHBondContact CE-OD1 3.46Å; K92-D232 IonicContact NZ-OD1 3.33Å; K92-D232 PolarHBondContact NZ-OD1 3.35Å
93	V	98.6	Very high	98.1	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.2	-178.8	-176.7	0	0	0	0	110	V95 R105 L174 L230 E231 D233	V93-V95 HydrophobicContact CG1-CG2 4.05Å; V93-R105 HydrophobicContact CG1-CB 3.93Å; V93-R105 HydrophobicContact CG1-CG 4.46Å; V93-L174 HydrophobicContact CG1-CD1 4.13Å; V93-L174 HydrophobicContact CG2-CD1 3.85Å; V93-L230 CarbonylContact O-C 3.42Å; V93-L230 WeakPolarHBondContact O-CA 3.3Å; V93-E231 HydrophobicContact CB-CB 4.44Å; V93-E231 PolarHBondContact N-O 3.01Å; V93-E231 PolarHBondContact O-N 2.88Å; V93-D233 HydrophobicContact CG2-CB 3.83Å
94	L	98.8	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.1	168	-175.9	65.4	0	0	0	109	R105 G106 M155 L168 L171 L211 L222 V228 L230	L94-R105 WeakPolarHBondContact O-CA 3.37Å; L94-G106 PolarHBondContact N-O 3.49Å; L94-G106 PolarHBondContact O-N 2.79Å; L94-M155 HydrophobicContact CD1-CE 4.3Å; L94-M155 HydrophobicContact CD2-SD 4.35Å; L94-L168 HydrophobicContact CD2-CD1 3.93Å; L94-L171 HydrophobicContact CB-CD1 4.49Å; L94-L171 HydrophobicContact CB-CD2 4.49Å; L94-L171 HydrophobicContact CD2-CD1 4.12Å; L94-L211 HydrophobicContact CD2-CD1 3.51Å; L94-L211 HydrophobicContact CG-CD1 4.07Å; L94-L222 HydrophobicContact CD1-CD1 4.33Å; L94-V228 HydrophobicContact CD1-CG2 3.72Å; L94-L230 HydrophobicContact CB-CD2 3.93Å; L94-L230 HydrophobicContact CD1-CD2 3.94Å; L94-L230 HydrophobicContact CD1-CG 4.33Å
95	V	98.7	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.3	179.8	-170.4	0	0	0	0	109.4	V93 E103 L104 R105 V228 W229 E231	V93-V95 HydrophobicContact CG1-CG2 4.05Å; V95-E103 HydrophobicContact CG1-CB 4.28Å; V95-E103 HydrophobicContact CG1-CG 4.31Å; V95-L104 WeakPolarHBondContact CA-O 3.47Å; V95-R105 HydrophobicContact CG1-CG 4.03Å; V95-R105 HydrophobicContact CG2-CG 4.17Å; V95-V228 VanDerWaalsContact O-CA 3.26Å; V95-V228 WeakPolarHBondContact O-CA 3.49Å; V95-V228 WeakPolarHBondContact O-CG2 3.29Å; V95-W229 HydrophobicContact CB-CD2 3.91Å; V95-W229 HydrophobicContact CB-CE3 4.38Å; V95-W229 HydrophobicContact CB-CG 4.41Å; V95-W229 HydrophobicContact CB-CH2 4.22Å; V95-W229 HydrophobicContact CB-CZ2 3.74Å; V95-W229 HydrophobicContact CG1-CD2 4.28Å; V95-W229 HydrophobicContact CG1-CE3 4.47Å; V95-W229 HydrophobicContact CG1-CH2 3.51Å; V95-W229 HydrophobicContact CG1-CZ2 3.26Å; V95-W229 HydrophobicContact CG1-CZ3 4.12Å; V95-W229 HydrophobicContact CG2-CZ2 4.32Å; V95-W229 PolarHBondContact N-O 3.46Å; V95-W229 PolarHBondContact O-N 3.24Å; V95-W229 VanDerWaalsContact O-N 3.11Å; V95-E231 HydrophobicContact CG2-CG 3.95Å
96	R	98.6	Very high	98	Very high	15 Å²	15	34.6 Å²	34.6	6%	0.057	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.4	170.6	171.5	86.6	-173.5	81.5	-1.5	109	E103 L104 L211 E227	R96-E103 CarbonylContact O-C 3.57Å; R96-E103 WeakPolarHBondContact O-CA 3.11Å; R96-L104 HydrophobicContact CB-CB 4.31Å; R96-L104 PolarHBondContact N-O 2.91Å; R96-L104 PolarHBondContact O-N 2.87Å; R96-L211 HydrophobicContact CB-CB 4.39Å; R96-L211 HydrophobicContact CB-CD2 4.48Å; R96-L211 WeakPolarHBondContact CD-O 3.24Å; R96-L211 VanDerWaalsContact CG-O 3.26Å; R96-L211 WeakPolarHBondContact CG-O 3.43Å; R96-E227 CarbonylContact C-O 3.59Å; R96-E227 WeakPolarHBondContact CA-O 3.49Å; R96-E227 IonicContact CZ-OE1 2.83Å; R96-E227 PolarHBondContact NH1-O 3.14Å; R96-E227 IonicContact NH1-OE1 2.64Å; R96-E227 PolarHBondContact NH1-OE1 2.82Å; R96-E227 IonicContact NH2-OE1 3.33Å; R96-E227 PolarHBondContact NH2-OE1 3.34Å
97	R	98.4	Very high	98	Very high	99 Å²	99	36.4 Å²	36.4	37%	0.374	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.4	174.4	-175.8	175.2	68	-162	8.2	112.9	E103 T226 E227 W229	R97-E103 HydrophobicContact CB-CG 4.28Å; R97-E103 HydrophobicContact CG-CG 4.32Å; R97-T226 PolarHBondContact NE-O 2.9Å; R97-T226 PolarHBondContact NH2-O 2.85Å; R97-E227 PolarHBondContact N-O 3.08Å; R97-W229 HydrophobicContact CB-CH2 3.82Å; R97-W229 HydrophobicContact CB-CZ3 3.67Å
98	R	97.3	Very high	98	Very high	66 Å²	66	32.5 Å²	32.5	25%	0.249	19%	0.188	C	C	.	.			trans	-68.7	166.8	-178.5	-62.9	173.5	68.3	-151.2	9.1	111.7	D100 G101 S102 L104	R98-D100 VanDerWaalsContact CB-OD1 3.28Å; R98-D100 WeakPolarHBondContact CB-OD1 3.28Å; R98-D100 IonicContact CZ-OD2 3.58Å; R98-D100 IonicContact NH1-OD2 3.98Å; R98-D100 PolarHBondContact NH1-OD2 2.8Å; R98-D100 PolarHBondContact O-N 2.85Å; R98-G101 PolarHBondContact O-N 2.83Å; R98-S102 WeakPolarHBondContact CB-O 3.4Å; R98-S102 WeakPolarHBondContact CD-OG 3.36Å; R98-S102 PolarHBondContact N-O 2.89Å; R98-S102 PolarHBondContact NH1-OG 3.38Å; R98-L104 HydrophobicContact CG-CD1 4.39Å; R98-L104 HydrophobicContact CG-CG 4.35Å
99	A	95.3	Very high	98.1	Very high	110 Å²	110	31.1 Å²	31.1	91%	0.909	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.9	-178.6	0	0	0	0	0	113.6	G101	A99-G101 PolarHBondContact O-N 3.27Å
100	D	95.8	Very high	98.1	Very high	106 Å²	106	31.1 Å²	31.1	57%	0.567	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	4.1	174.3	62.6	7	0	0	0	113.2	R98 S102	R98-D100 VanDerWaalsContact CB-OD1 3.28Å; R98-D100 WeakPolarHBondContact CB-OD1 3.28Å; R98-D100 IonicContact CZ-OD2 3.58Å; R98-D100 IonicContact NH1-OD2 3.98Å; R98-D100 PolarHBondContact NH1-OD2 2.8Å; R98-D100 PolarHBondContact O-N 2.85Å; D100-S102 VanDerWaalsContact CG-OG 3.27Å; D100-S102 PolarHBondContact O-N 2.57Å; D100-S102 VanDerWaalsContact OD1-CB 3.24Å; D100-S102 WeakPolarHBondContact OD1-CB 3.36Å; D100-S102 PolarHBondContact OD1-N 3.32Å; D100-S102 PolarHBondContact OD1-OG 3.35Å; D100-S102 PolarHBondContact OD2-OG 3Å
101	G	96.4	Very high	98.1	Very high	48 Å²	48	30.9 Å²	30.9	50%	0.495	18%	0.175	S	C	.	.	S	Bend	trans	82	-8.9	-176.7	0	0	0	0	0	114.4	R98 A99	R98-G101 PolarHBondContact O-N 2.83Å; A99-G101 PolarHBondContact O-N 3.27Å
102	S	97.5	Very high	98.1	Very high	43 Å²	43	30.6 Å²	30.6	30%	0.301	17%	0.172	S	C	.	.			trans	-70.8	144.2	178.4	68.9	0	0	0	0	111.9	R98 D100	R98-S102 WeakPolarHBondContact CB-O 3.4Å; R98-S102 WeakPolarHBondContact CD-OG 3.36Å; R98-S102 PolarHBondContact N-O 2.89Å; R98-S102 PolarHBondContact NH1-OG 3.38Å; D100-S102 VanDerWaalsContact CG-OG 3.27Å; D100-S102 PolarHBondContact O-N 2.57Å; D100-S102 VanDerWaalsContact OD1-CB 3.24Å; D100-S102 WeakPolarHBondContact OD1-CB 3.36Å; D100-S102 PolarHBondContact OD1-N 3.32Å; D100-S102 PolarHBondContact OD1-OG 3.35Å; D100-S102 PolarHBondContact OD2-OG 3Å
103	E	98.3	Very high	98.2	Very high	48 Å²	48	29.1 Å²	29.1	22%	0.224	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.6	-179.8	-65.2	-175.5	165.2	0	0	112.1	V95 R96 R97 R105 Q175 W229	V95-E103 HydrophobicContact CG1-CB 4.28Å; V95-E103 HydrophobicContact CG1-CG 4.31Å; R96-E103 CarbonylContact O-C 3.57Å; R96-E103 WeakPolarHBondContact O-CA 3.11Å; R97-E103 HydrophobicContact CB-CG 4.28Å; R97-E103 HydrophobicContact CG-CG 4.32Å; E103-R105 IonicContact OE1-NH2 3.35Å; E103-R105 IonicContact OE2-CZ 3.53Å; E103-R105 IonicContact OE2-NE 3.16Å; E103-R105 PolarHBondContact OE2-NE 2.89Å; E103-R105 IonicContact OE2-NH2 3.79Å; E103-R105 PolarHBondContact OE2-NH2 3.04Å; E103-Q175 PolarHBondContact O-NE2 2.82Å; E103-W229 WeakPolarHBondContact OE1-CH2 3.43Å
104	L	98.7	Very high	98.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.5	167.2	-49.9	180	0	0	0	107.6	V95 R96 R98 Q175 A179 M180 L183 A210 L211	V95-L104 WeakPolarHBondContact CA-O 3.47Å; R96-L104 HydrophobicContact CB-CB 4.31Å; R96-L104 PolarHBondContact N-O 2.91Å; R96-L104 PolarHBondContact O-N 2.87Å; R98-L104 HydrophobicContact CG-CD1 4.39Å; R98-L104 HydrophobicContact CG-CG 4.35Å; L104-Q175 WeakPolarHBondContact CA-O 3.49Å; L104-A179 HydrophobicContact CD2-CB 3.95Å; L104-M180 HydrophobicContact CB-CE 3.9Å; L104-L183 HydrophobicContact CD1-CD1 4.28Å; L104-A210 WeakPolarHBondContact CD1-O 3.48Å; L104-L211 HydrophobicContact CB-CD2 3.57Å; L104-L211 HydrophobicContact CD1-CD2 4.26Å
105	R	98.7	Very high	98.1	Very high	31 Å²	31	32.8 Å²	32.8	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.9	-176.4	-60.9	177.1	165.1	-101.5	-6.1	110.4	V93 L94 V95 E103 L174 Q175 E231	V93-R105 HydrophobicContact CG1-CB 3.93Å; V93-R105 HydrophobicContact CG1-CG 4.46Å; L94-R105 WeakPolarHBondContact O-CA 3.37Å; V95-R105 HydrophobicContact CG1-CG 4.03Å; V95-R105 HydrophobicContact CG2-CG 4.17Å; E103-R105 IonicContact OE1-NH2 3.35Å; E103-R105 IonicContact OE2-CZ 3.53Å; E103-R105 IonicContact OE2-NE 3.16Å; E103-R105 PolarHBondContact OE2-NE 2.89Å; E103-R105 IonicContact OE2-NH2 3.79Å; E103-R105 PolarHBondContact OE2-NH2 3.04Å; R105-L174 HydrophobicContact CB-CB 4.2Å; R105-L174 PolarHBondContact O-N 3.28Å; R105-Q175 HydrophobicContact CB-CB 3.86Å; R105-Q175 HydrophobicContact CG-CB 4.06Å; R105-Q175 PolarHBondContact N-O 3.39Å; R105-Q175 PolarHBondContact O-N 3.19Å; R105-E231 IonicContact CZ-OE1 3.78Å; R105-E231 IonicContact CZ-OE2 3.06Å; R105-E231 VanDerWaalsContact NH1-CD 3.34Å; R105-E231 IonicContact NH1-OE1 3.34Å; R105-E231 IonicContact NH1-OE2 2.65Å; R105-E231 PolarHBondContact NH1-OE2 3.29Å; R105-E231 IonicContact NH2-OE1 3.74Å; R105-E231 PolarHBondContact NH2-OE1 3.07Å; R105-E231 VanDerWaalsContact NH2-OE1 3.16Å; R105-E231 IonicContact NH2-OE2 3.61Å
106	G	98.4	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	129.7	173.3	0	0	0	0	0	112.6	L94 E172	L94-G106 PolarHBondContact N-O 3.49Å; L94-G106 PolarHBondContact O-N 2.79Å; G106-E172 CarbonylContact C-O 3.57Å; G106-E172 WeakPolarHBondContact CA-O 3.13Å
107	R	98.6	Very high	97.7	Very high	38 Å²	38	33.7 Å²	33.7	14%	0.143	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.3	174.6	-174.8	-175.4	-65.5	144.5	-4.1	109.5	K92 V109 L171 E172 L174 D233	K92-R107 CarbonylContact O-C 3.49Å; K92-R107 WeakPolarHBondContact O-CA 3.44Å; R107-V109 PolarHBondContact O-N 2.96Å; R107-L171 CarbonylContact O-C 3.56Å; R107-L171 WeakPolarHBondContact O-CA 3.1Å; R107-E172 HydrophobicContact CB-CB 4.18Å; R107-E172 IonicContact CZ-OE2 2.72Å; R107-E172 PolarHBondContact N-O 2.88Å; R107-E172 IonicContact NE-OE2 3.89Å; R107-E172 IonicContact NH1-OE1 2.77Å; R107-E172 IonicContact NH1-OE2 3.27Å; R107-E172 PolarHBondContact NH1-OE2 2.94Å; R107-E172 PolarHBondContact O-N 3.01Å; R107-L174 HydrophobicContact CB-CD1 4.03Å; R107-L174 HydrophobicContact CB-CD2 4.48Å; R107-L174 HydrophobicContact CB-CG 4.29Å; R107-D233 IonicContact CZ-OD2 3.7Å; R107-D233 IonicContact NE-OD2 3.5Å; R107-D233 PolarHBondContact NE-OD2 2.82Å; R107-D233 IonicContact NH2-OD2 2.91Å; R107-D233 PolarHBondContact NH2-OD2 3.13Å
108	I	98.9	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124.5	177.9	-59.8	165.7	0	0	0	109.2	F89 L90 G91 K92 T111 L168 L171 L230	F89-I108 HydrophobicContact CB-CD1 4.06Å; F89-I108 HydrophobicContact CB-CG2 4.33Å; F89-I108 HydrophobicContact CD1-CD1 4.35Å; F89-I108 HydrophobicContact CG-CD1 4.22Å; F89-I108 WeakPolarHBondContact O-CB 3.34Å; L90-I108 HydrophobicContact CD2-CG2 4.41Å; G91-I108 PolarHBondContact N-O 3.4Å; K92-I108 PolarHBondContact O-N 2.84Å; I108-T111 HydrophobicContact CG2-CG2 3.54Å; I108-L168 HydrophobicContact CD1-CD1 4.28Å; I108-L168 HydrophobicContact CD1-CD2 3.89Å; I108-L168 HydrophobicContact CG1-CD2 4.5Å; I108-L168 HydrophobicContact CG2-CD2 4.35Å; I108-L171 HydrophobicContact CB-CD2 4.1Å; I108-L171 HydrophobicContact CG1-CD2 3.5Å; I108-L171 VanDerWaalsContact CG1-CD2 3.5Å; I108-L230 HydrophobicContact CD1-CD2 3.58Å
109	V	98.8	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-7	-178.8	-54.7	0	0	0	0	113.5	R107 S170 E172 Y266 L267 C272 V273	R107-V109 PolarHBondContact O-N 2.96Å; V109-S170 PolarHBondContact N-O 3.13Å; V109-E172 HydrophobicContact CG1-CB 3.96Å; V109-Y266 WeakPolarHBondContact O-CA 3.01Å; V109-Y266 VanDerWaalsContact O-CB 3.32Å; V109-Y266 WeakPolarHBondContact O-CB 3.24Å; V109-L267 HydrophobicContact CB-CD1 4.18Å; V109-L267 HydrophobicContact CB-CG 4.41Å; V109-L267 HydrophobicContact CG1-CD1 3.95Å; V109-L267 PolarHBondContact O-N 2.79Å; V109-C272 HydrophobicContact CG2-CB 4.09Å; V109-V273 HydrophobicContact CG2-CG2 4.37Å
110	E	98.9	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	134.4	176.5	-174.4	178.2	-166.2	0	0	111.8	R169 S170 R264 F265 S274	E110-R169 HydrophobicContact CB-CB 4.03Å; E110-R169 HydrophobicContact CG-CB 3.7Å; E110-R169 HydrophobicContact CG-CG 4.43Å; E110-R169 WeakPolarHBondContact O-CB 3.36Å; E110-R169 PolarHBondContact O-N 2.89Å; E110-R169 IonicContact OE1-NE 2.89Å; E110-S170 PolarHBondContact N-O 3.33Å; E110-S170 PolarHBondContact O-N 2.97Å; E110-R264 HydrophobicContact CG-CG 4.43Å; E110-R264 WeakPolarHBondContact OE1-CD 3.26Å; E110-R264 IonicContact OE1-CZ 2.65Å; E110-R264 IonicContact OE1-NH1 2.8Å; E110-R264 PolarHBondContact OE1-NH1 3.18Å; E110-F265 CarbonylContact C-O 3.52Å; E110-F265 VanDerWaalsContact CA-O 3.32Å; E110-F265 WeakPolarHBondContact CA-O 3.09Å; E110-S274 VanDerWaalsContact CD-OG 3.23Å; E110-S274 PolarHBondContact OE1-OG 3.08Å; E110-S274 WeakPolarHBondContact OE2-CA 3.24Å; E110-S274 WeakPolarHBondContact OE2-CB 3.22Å; E110-S274 PolarHBondContact OE2-N 2.97Å; E110-S274 PolarHBondContact OE2-OG 2.93Å
111	T	98.9	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.3	179.3	58.6	0	0	0	0	111.6	A86 F89 L90 I108 V166 L167 L168 R264 F265	A86-T111 PolarHBondContact O-OG1 3.18Å; F89-T111 HydrophobicContact CB-CG2 3.9Å; F89-T111 HydrophobicContact CD2-CG2 4.26Å; L90-T111 HydrophobicContact CD2-CG2 4.27Å; I108-T111 HydrophobicContact CG2-CG2 3.54Å; T111-V166 HydrophobicContact CG2-CG1 4.22Å; T111-L167 CarbonylContact C-O 3.41Å; T111-L167 VanDerWaalsContact CA-O 3.25Å; T111-L167 WeakPolarHBondContact CA-O 3.11Å; T111-L168 HydrophobicContact CG2-CD2 4.06Å; T111-R264 WeakPolarHBondContact O-CA 3.4Å; T111-R264 WeakPolarHBondContact O-CG 3.42Å; T111-F265 PolarHBondContact N-O 3.16Å; T111-F265 PolarHBondContact O-N 2.89Å
112	E	98.9	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.4	168	-74.6	173.3	170.9	0	0	110.8	Y114 V166 L167 R169 R249 V250 W263 R264	E112-Y114 HydrophobicContact CB-CD2 4.46Å; E112-Y114 HydrophobicContact CB-CE2 3.88Å; E112-Y114 PolarHBondContact OE2-OH 3.4Å; E112-V166 CarbonylContact O-C 3.56Å; E112-V166 VanDerWaalsContact O-CA 3.28Å; E112-V166 WeakPolarHBondContact O-CA 3.31Å; E112-L167 HydrophobicContact CB-CB 4.21Å; E112-L167 PolarHBondContact N-O 3.27Å; E112-L167 PolarHBondContact O-N 3.31Å; E112-L167 WeakPolarHBondContact OE2-CD2 3.38Å; E112-R169 VanDerWaalsContact CD-NH1 3.29Å; E112-R169 HydrophobicContact CG-CG 4.27Å; E112-R169 WeakPolarHBondContact OE1-CD 3.33Å; E112-R169 IonicContact OE1-CZ 3.72Å; E112-R169 IonicContact OE1-NE 2.69Å; E112-R169 PolarHBondContact OE1-NE 3Å; E112-R169 IonicContact OE1-NH1 2.6Å; E112-R169 PolarHBondContact OE1-NH1 2.86Å; E112-R169 IonicContact OE2-CZ 3.49Å; E112-R169 IonicContact OE2-NE 3.17Å; E112-R169 IonicContact OE2-NH1 3.18Å; E112-R169 PolarHBondContact OE2-NH1 2.79Å; E112-R249 HydrophobicContact CB-CG 4.22Å; E112-R249 HydrophobicContact CG-CB 4.17Å; E112-R249 HydrophobicContact CG-CG 3.84Å; E112-R249 VanDerWaalsContact OE1-CA 3.32Å; E112-R249 WeakPolarHBondContact OE1-CA 3.42Å; E112-R249 WeakPolarHBondContact OE1-CB 3.27Å; E112-V250 PolarHBondContact OE1-N 3.04Å; E112-W263 CarbonylContact C-O 2.79Å; E112-W263 WeakPolarHBondContact CA-O 3.43Å; E112-R264 HydrophobicContact CG-CB 3.74Å; E112-R264 HydrophobicContact CG-CG 3.6Å; E112-R264 VanDerWaalsContact OE1-CD 3.27Å; E112-R264 WeakPolarHBondContact OE1-CD 3.41Å
113	A	98.8	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.3	171.5	0	0	0	0	0	110.9	I83 A86 R249 W263 F265	I83-A113 HydrophobicContact CG1-CB 4.06Å; A86-A113 HydrophobicContact CB-CB 4.09Å; A113-R249 WeakPolarHBondContact O-CD 3.46Å; A113-R249 PolarHBondContact O-NH1 2.97Å; A113-W263 HydrophobicContact CB-CB 4.29Å; A113-W263 PolarHBondContact N-O 3.37Å; A113-F265 HydrophobicContact CB-CE2 4.07Å
114	Y	98.7	Very high	97.7	Very high	21 Å²	21	27.9 Å²	27.9	8%	0.082	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	108.1	169.9	-69.6	-89.6	0	0	0	107.9	E112 G116 D119 A121 A164 A165 L167 R249	E112-Y114 HydrophobicContact CB-CD2 4.46Å; E112-Y114 HydrophobicContact CB-CE2 3.88Å; E112-Y114 PolarHBondContact OE2-OH 3.4Å; Y114-G116 PolarHBondContact O-N 3.46Å; Y114-D119 WeakPolarHBondContact CA-OD2 3.29Å; Y114-A121 HydrophobicContact CE1-CB 4.44Å; Y114-A121 WeakPolarHBondContact CE1-O 3.47Å; Y114-A164 CarbonylContact O-C 3.56Å; Y114-A164 VanDerWaalsContact O-CA 3.27Å; Y114-A164 WeakPolarHBondContact O-CA 3.33Å; Y114-A165 WeakPolarHBondContact CB-O 3.47Å; Y114-A165 PolarHBondContact N-O 2.88Å; Y114-A165 PolarHBondContact O-N 3.1Å; Y114-L167 HydrophobicContact CD2-CB 4.29Å; Y114-L167 HydrophobicContact CE2-CB 3.85Å; Y114-L167 HydrophobicContact CE2-CD2 4.2Å; Y114-R249 VanDerWaalsContact CD1-NH1 3.31Å
115	L	97.9	Very high	97.6	Very high	61 Å²	61	29.2 Å²	29.2	32%	0.319	15%	0.149	S	C	.	.			trans	-79	-6.2	-167.8	-72.9	169.7	0	0	0	114.2	C82 I83 D119 W263	C82-L115 HydrophobicContact CB-CD2 3.69Å; I83-L115 HydrophobicContact CD1-CD1 4.24Å; I83-L115 HydrophobicContact CD1-CD2 4.38Å; I83-L115 HydrophobicContact CG1-CD2 4.27Å; L115-D119 HydrophobicContact CB-CB 4.26Å; L115-D119 PolarHBondContact N-OD2 2.93Å; L115-W263 HydrophobicContact CD1-CD2 4.12Å; L115-W263 HydrophobicContact CD1-CE3 4.02Å; L115-W263 HydrophobicContact CD1-CH2 3.45Å; L115-W263 VanDerWaalsContact CD1-CH2 3.45Å; L115-W263 HydrophobicContact CD1-CZ2 3.51Å; L115-W263 HydrophobicContact CD1-CZ3 3.69Å; L115-W263 HydrophobicContact CG-CE3 4.48Å; L115-W263 HydrophobicContact CG-CZ3 4.37Å
116	G	95.8	Very high	97.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	18%	0.182	C	C	.	.			trans	59.4	-153.9	-167.4	0	0	0	0	0	111.7	Y114 E118 D119 S124	Y114-G116 PolarHBondContact O-N 3.46Å; G116-E118 PolarHBondContact O-N 3.07Å; G116-D119 VanDerWaalsContact O-CB 3.25Å; G116-D119 WeakPolarHBondContact O-CB 3.34Å; G116-D119 PolarHBondContact O-N 3.23Å; G116-S124 WeakPolarHBondContact CA-OG 3.41Å
117	G	93.3	Very high	97.4	Very high	34 Å²	34	33.3 Å²	33.3	35%	0.351	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	48.9	-113.3	176.8	0	0	0	0	0	112.6	D119 A125 G126	G117-D119 VanDerWaalsContact C-N 3.29Å; G117-D119 PolarHBondContact O-N 3.18Å; G117-A125 CarbonylContact O-C 3.54Å; G117-G126 PolarHBondContact O-N 3.13Å
118	E	92.7	Very high	97.4	Very high	159 Å²	159	37.9 Å²	37.9	74%	0.743	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.2	-178.5	-60.2	-172.5	157.5	0	0	114.4	G116 K120 W258	G116-E118 PolarHBondContact O-N 3.07Å; E118-K120 PolarHBondContact O-N 3.35Å; E118-W258 VanDerWaalsContact C-CZ2 3.5Å; E118-W258 HydrophobicContact CB-CH2 3.38Å; E118-W258 HydrophobicContact CB-CZ2 3.76Å; E118-W258 HydrophobicContact CB-CZ3 4.38Å; E118-W258 WeakPolarHBondContact O-CH2 3.12Å; E118-W258 WeakPolarHBondContact O-CZ2 3.45Å
119	D	97.4	Very high	97.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.25	C	S	.	.			trans	-65.3	94.4	-177.3	-173.5	7.9	0	0	0	112.9	Y114 L115 G116 G117 A121 S122 A125 R249 W258 W263	Y114-D119 WeakPolarHBondContact CA-OD2 3.29Å; L115-D119 HydrophobicContact CB-CB 4.26Å; L115-D119 PolarHBondContact N-OD2 2.93Å; G116-D119 VanDerWaalsContact O-CB 3.25Å; G116-D119 WeakPolarHBondContact O-CB 3.34Å; G116-D119 PolarHBondContact O-N 3.23Å; G117-D119 VanDerWaalsContact C-N 3.29Å; G117-D119 PolarHBondContact O-N 3.18Å; D119-A121 PolarHBondContact O-N 2.75Å; D119-A121 VanDerWaalsContact O-N 3.11Å; D119-A121 PolarHBondContact OD1-N 3.43Å; D119-A121 VanDerWaalsContact OD1-N 3.16Å; D119-S122 VanDerWaalsContact O-CB 3.23Å; D119-S122 WeakPolarHBondContact O-CB 3.45Å; D119-S122 PolarHBondContact O-N 3.02Å; D119-A125 VanDerWaalsContact O-CB 3.31Å; D119-A125 WeakPolarHBondContact O-CB 3.49Å; D119-R249 IonicContact OD1-CZ 3.58Å; D119-R249 IonicContact OD1-NH1 3.91Å; D119-R249 PolarHBondContact OD1-NH1 3.18Å; D119-R249 IonicContact OD1-NH2 2.86Å; D119-R249 PolarHBondContact OD1-NH2 3.32Å; D119-R249 IonicContact OD2-CZ 3.58Å; D119-R249 IonicContact OD2-NH1 2.67Å; D119-R249 PolarHBondContact OD2-NH1 2.87Å; D119-R249 IonicContact OD2-NH2 3.59Å; D119-W258 VanDerWaalsContact CA-CE3 3.43Å; D119-W258 HydrophobicContact CB-CE3 3.94Å; D119-W258 HydrophobicContact CB-CZ3 3.84Å; D119-W263 HydrophobicContact CB-CZ3 4.26Å
120	K	97.4	Very high	97.2	Very high	147 Å²	147	48 Å²	48	64%	0.639	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.6	-178.3	-64.5	-173.6	179.7	-179.8	0	113.6	E118 S122 H255 W258	E118-K120 PolarHBondContact O-N 3.35Å; K120-S122 VanDerWaalsContact C-N 3.34Å; K120-H255 PolarHBondContact O-CD2 3.14Å; K120-W258 HydrophobicContact CB-CG 4.01Å; K120-W258 HydrophobicContact CG-CG 4.44Å
121	A	97.4	Very high	97.1	Very high	11 Å²	11	55.6 Å²	55.6	9%	0.091	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.9	174.3	0	0	0	0	0	113	Y114 D119 I252 H255	Y114-A121 HydrophobicContact CE1-CB 4.44Å; Y114-A121 WeakPolarHBondContact CE1-O 3.47Å; D119-A121 PolarHBondContact O-N 2.75Å; D119-A121 VanDerWaalsContact O-N 3.11Å; D119-A121 PolarHBondContact OD1-N 3.43Å; D119-A121 VanDerWaalsContact OD1-N 3.16Å; A121-I252 HydrophobicContact CB-CB 4.15Å; A121-I252 HydrophobicContact CB-CD1 3.59Å; A121-I252 HydrophobicContact CB-CG2 4.15Å; A121-H255 HydrophobicContact CB-CB 4.11Å
122	S	97.8	Very high	97	Very high	8 Å²	8	60.8 Å²	60.8	6%	0.056	32%	0.322	C	S	.	.	S	Bend	trans	-81.4	147.9	177.5	-173.9	0	0	0	0	112.1	D119 K120 S124 A125	D119-S122 VanDerWaalsContact O-CB 3.23Å; D119-S122 WeakPolarHBondContact O-CB 3.45Å; D119-S122 PolarHBondContact O-N 3.02Å; K120-S122 VanDerWaalsContact C-N 3.34Å; S122-S124 PolarHBondContact O-N 3.39Å; S122-S124 PolarHBondContact OG-N 2.81Å; S122-S124 PolarHBondContact OG-OG 3.03Å; S122-A125 WeakPolarHBondContact O-CB 3.46Å; S122-A125 PolarHBondContact O-N 3.09Å
123	H	97.8	Very high	97	Very high	72 Å²	72	60.9 Å²	60.9	33%	0.333	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	169.6	-69.9	171.9	0	0	0	113.1	N133 M136 Y144 Y146	H123-N133 HydrophobicContact CB-CB 4.24Å; H123-N133 PolarHBondContact O-ND2 3.35Å; H123-M136 HydrophobicContact CB-SD 4.04Å; H123-Y144 AromaticContact ND1-CE1 3.69Å; H123-Y144 AromaticContact ND1-CZ 3.7Å; H123-Y144 PolarHBondContact ND1-OH 2.85Å; H123-Y146 AromaticContact CE1-CD2 3.94Å; H123-Y146 AromaticContact CE1-CE1 3.65Å; H123-Y146 AromaticContact CE1-CE2 3.6Å; H123-Y146 AromaticContact CE1-CZ 3.44Å; H123-Y146 VanDerWaalsContact CE1-CZ 3.44Å
124	S	97.9	Very high	96.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	14.7	178.7	51.7	0	0	0	0	113.3	G116 S122 G126 G127 K128 F137 G163	G116-S124 WeakPolarHBondContact CA-OG 3.41Å; S122-S124 PolarHBondContact O-N 3.39Å; S122-S124 PolarHBondContact OG-N 2.81Å; S122-S124 PolarHBondContact OG-OG 3.03Å; S124-G126 PolarHBondContact O-N 3.24Å; S124-G127 WeakPolarHBondContact O-CA 3.22Å; S124-G127 PolarHBondContact O-N 3.43Å; S124-K128 PolarHBondContact O-N 2.65Å; S124-F137 VanDerWaalsContact CB-CZ 3.44Å; S124-G163 WeakPolarHBondContact CB-O 3.31Å; S124-G163 PolarHBondContact OG-O 2.97Å
125	A	97.4	Very high	96.9	Very high	30 Å²	30	62.2 Å²	62.2	25%	0.248	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-50.1	136	176	0	0	0	0	0	112	G117 D119 S122 G127 K128	G117-A125 CarbonylContact O-C 3.54Å; D119-A125 VanDerWaalsContact O-CB 3.31Å; D119-A125 WeakPolarHBondContact O-CB 3.49Å; S122-A125 WeakPolarHBondContact O-CB 3.46Å; S122-A125 PolarHBondContact O-N 3.09Å; A125-G127 PolarHBondContact O-N 3.26Å; A125-K128 WeakPolarHBondContact O-CB 3.47Å; A125-K128 PolarHBondContact O-N 3.06Å
126	G	96.7	Very high	96.9	Very high	77 Å²	77	59.5 Å²	59.5	79%	0.794	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	20.6	-174.6	0	0	0	0	0	114.2	G117 S124 K128	G117-G126 PolarHBondContact O-N 3.13Å; S124-G126 PolarHBondContact O-N 3.24Å; G126-K128 PolarHBondContact O-N 3.03Å
127	G	96	Very high	97.1	Very high	40 Å²	40	61.2 Å²	61.2	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	16.6	-174.3	0	0	0	0	0	113.6	S124 A125 R129	S124-G127 WeakPolarHBondContact O-CA 3.22Å; S124-G127 PolarHBondContact O-N 3.43Å; A125-G127 PolarHBondContact O-N 3.26Å; G127-R129 PolarHBondContact O-N 3.38Å; G127-R129 VanDerWaalsContact O-N 3.09Å
128	K	97.3	Very high	97.3	Very high	134 Å²	134	63 Å²	63	58%	0.583	33%	0.326	S	S	*	.			trans	-62.8	112.6	-176	-176.1	179	-178.7	176.5	0	111.5	S124 A125 G126 T130 N133 F137	S124-K128 PolarHBondContact O-N 2.65Å; A125-K128 WeakPolarHBondContact O-CB 3.47Å; A125-K128 PolarHBondContact O-N 3.06Å; G126-K128 PolarHBondContact O-N 3.03Å; K128-T130 HydrophobicContact CG-CG2 4.19Å; K128-N133 PolarHBondContact O-ND2 3.03Å; K128-F137 WeakPolarHBondContact O-CZ 3.5Å
129	R	97.4	Very high	97.6	Very high	157 Å²	157	60.3 Å²	60.3	59%	0.592	31%	0.311	S	S	*	.			trans	-99.4	131.1	172.4	-68.6	-179.5	178.5	-172.6	1.8	110.7	G127 F137 E162	G127-R129 PolarHBondContact O-N 3.38Å; G127-R129 VanDerWaalsContact O-N 3.09Å; R129-F137 HydrophobicContact CB-CE2 4.27Å; R129-F137 HydrophobicContact CB-CZ 4.42Å; R129-F137 HydrophobicContact CG-CD1 3.82Å; R129-F137 HydrophobicContact CG-CD2 3.74Å; R129-F137 HydrophobicContact CG-CE1 3.57Å; R129-F137 HydrophobicContact CG-CE2 3.51Å; R129-F137 HydrophobicContact CG-CG 3.88Å; R129-F137 HydrophobicContact CG-CZ 3.39Å; R129-E162 IonicContact CZ-OE2 3.76Å; R129-E162 IonicContact NH2-OE1 3.37Å; R129-E162 IonicContact NH2-OE2 2.7Å; R129-E162 PolarHBondContact NH2-OE2 3.39Å
130	T	97.6	Very high	97.7	Very high	55 Å²	55	61.2 Å²	61.2	34%	0.337	32%	0.317	S	S	.	.			trans	-136.8	161.7	175.6	64.3	0	0	0	0	108.6	K128 R132 N133 T134	K128-T130 HydrophobicContact CG-CG2 4.19Å; T130-R132 PolarHBondContact O-N 2.65Å; T130-R132 PolarHBondContact OG1-N 3.47Å; T130-N133 PolarHBondContact N-OD1 3.32Å; T130-N133 PolarHBondContact O-N 3.39Å; T130-N133 PolarHBondContact O-OD1 3.24Å; T130-N133 VanDerWaalsContact OG1-CG 3.29Å; T130-N133 PolarHBondContact OG1-N 2.95Å; T130-N133 PolarHBondContact OG1-OD1 3.33Å; T130-T134 PolarHBondContact O-N 3.18Å; T130-T134 PolarHBondContact O-OG1 3.22Å
131	E	96.7	Very high	97.7	Very high	160 Å²	160	54.2 Å²	54.2	75%	0.748	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-54.1	-38	173.1	-172.9	-173.7	179.3	0	0	111.6	T134 R219	E131-T134 PolarHBondContact O-OG1 3.13Å; E131-R219 PolarHBondContact O-NH2 2.94Å
132	R	96.1	Very high	97.8	Very high	108 Å²	108	53.8 Å²	53.8	41%	0.408	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.9	-41	-178.9	179.8	-178.5	168.4	174.3	-1.5	113.3	T130 Y144 P147	T130-R132 PolarHBondContact O-N 2.65Å; T130-R132 PolarHBondContact OG1-N 3.47Å; R132-Y144 WeakPolarHBondContact O-CE2 3.26Å; R132-P147 PolarHBondContact NH2-O 2.88Å
133	N	97.9	Very high	97.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.011	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-103.9	13.5	-173	70.5	-4.8	0	0	0	113.1	H123 K128 T130 A135 M136 F137	H123-N133 HydrophobicContact CB-CB 4.24Å; H123-N133 PolarHBondContact O-ND2 3.35Å; K128-N133 PolarHBondContact O-ND2 3.03Å; T130-N133 PolarHBondContact N-OD1 3.32Å; T130-N133 PolarHBondContact O-N 3.39Å; T130-N133 PolarHBondContact O-OD1 3.24Å; T130-N133 VanDerWaalsContact OG1-CG 3.29Å; T130-N133 PolarHBondContact OG1-N 2.95Å; T130-N133 PolarHBondContact OG1-OD1 3.33Å; N133-A135 PolarHBondContact O-N 3.06Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-M136 HydrophobicContact CB-CG 4.44Å; N133-M136 HydrophobicContact CB-SD 4.01Å; N133-M136 WeakPolarHBondContact O-CB 3.5Å; N133-M136 PolarHBondContact O-N 2.81Å; N133-F137 WeakPolarHBondContact O-CD2 3.42Å
134	T	98.2	Very high	97.9	Very high	49 Å²	49	50 Å²	50	30%	0.301	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-52.3	-38	-179.1	-60.6	0	0	0	0	112.1	T130 E131 M136 F137 M138	T130-T134 PolarHBondContact O-N 3.18Å; T130-T134 PolarHBondContact O-OG1 3.22Å; E131-T134 PolarHBondContact O-OG1 3.13Å; T134-M136 PolarHBondContact O-N 2.75Å; T134-F137 PolarHBondContact O-N 3.13Å; T134-M138 HydrophobicContact CG2-CG 4.43Å; T134-M138 HydrophobicContact CG2-SD 4.34Å; T134-M138 WeakPolarHBondContact O-CG 3.26Å; T134-M138 PolarHBondContact O-N 2.88Å
135	A	98.4	Very high	97.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-55.9	-31.2	177.3	0	0	0	0	0	114.2	N133 F137 M138 T142 Y144 S158 R219	N133-A135 PolarHBondContact O-N 3.06Å; N133-A135 VanDerWaalsContact O-N 3.14Å; A135-F137 PolarHBondContact O-N 3.18Å; A135-M138 PolarHBondContact O-N 3.19Å; A135-T142 HydrophobicContact CB-CG2 4.1Å; A135-Y144 HydrophobicContact CB-CD2 3.99Å; A135-Y144 HydrophobicContact CB-CG 4.09Å; A135-S158 WeakPolarHBondContact O-CB 3.38Å; A135-R219 HydrophobicContact CB-CG 4.05Å
136	M	98.6	Very high	98	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.02	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-71.3	-15.8	177	-56.7	179.8	76.9	0	0	113.2	H123 N133 T134 Y144 G163 A165	H123-M136 HydrophobicContact CB-SD 4.04Å; N133-M136 HydrophobicContact CB-CG 4.44Å; N133-M136 HydrophobicContact CB-SD 4.01Å; N133-M136 WeakPolarHBondContact O-CB 3.5Å; N133-M136 PolarHBondContact O-N 2.81Å; T134-M136 PolarHBondContact O-N 2.75Å; M136-Y144 HydrophobicContact CG-CD1 3.38Å; M136-Y144 HydrophobicContact CG-CE1 3.74Å; M136-Y144 HydrophobicContact CG-CG 3.98Å; M136-Y144 HydrophobicContact SD-CD1 3.75Å; M136-Y144 HydrophobicContact SD-CE1 3.51Å; M136-Y144 VanDerWaalsContact SD-CE1 3.51Å; M136-G163 WeakPolarHBondContact CE-O 3.46Å; M136-G163 CarbonylContact O-C 3.41Å; M136-G163 WeakPolarHBondContact O-CA 3.43Å; M136-G163 PolarHBondContact O-N 3.3Å; M136-A165 HydrophobicContact CE-CB 3.69Å; M136-A165 HydrophobicContact CG-CB 4.08Å
137	F	98.6	Very high	98	Very high	37 Å²	37	47.9 Å²	47.9	16%	0.162	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-107.2	4.3	177.6	-59.2	-88.1	0	0	0	111.8	S124 K128 R129 N133 T134 A135 E162 G163	S124-F137 VanDerWaalsContact CB-CZ 3.44Å; K128-F137 WeakPolarHBondContact O-CZ 3.5Å; R129-F137 HydrophobicContact CB-CE2 4.27Å; R129-F137 HydrophobicContact CB-CZ 4.42Å; R129-F137 HydrophobicContact CG-CD1 3.82Å; R129-F137 HydrophobicContact CG-CD2 3.74Å; R129-F137 HydrophobicContact CG-CE1 3.57Å; R129-F137 HydrophobicContact CG-CE2 3.51Å; R129-F137 HydrophobicContact CG-CG 3.88Å; R129-F137 HydrophobicContact CG-CZ 3.39Å; N133-F137 WeakPolarHBondContact O-CD2 3.42Å; T134-F137 PolarHBondContact O-N 3.13Å; A135-F137 PolarHBondContact O-N 3.18Å; F137-E162 WeakPolarHBondContact CD1-OE2 3.5Å; F137-G163 VanDerWaalsContact CD1-N 3.34Å; F137-G163 VanDerWaalsContact CE1-CA 3.45Å
138	M	98.6	Very high	97.9	Very high	73 Å²	73	48 Å²	48	36%	0.36	22%	0.223	S	C	.	.	S	Bend	trans	-88.9	171.3	172.7	-68.2	174.6	66	0	0	109.6	T134 A135 T142 S158 R219	T134-M138 HydrophobicContact CG2-CG 4.43Å; T134-M138 HydrophobicContact CG2-SD 4.34Å; T134-M138 WeakPolarHBondContact O-CG 3.26Å; T134-M138 PolarHBondContact O-N 2.88Å; A135-M138 PolarHBondContact O-N 3.19Å; M138-T142 HydrophobicContact CB-CG2 3.85Å; M138-T142 WeakPolarHBondContact CB-OG1 3.27Å; M138-T142 HydrophobicContact CE-CG2 3.93Å; M138-T142 HydrophobicContact CG-CG2 4.48Å; M138-T142 HydrophobicContact SD-CG2 3.91Å; M138-S158 PolarHBondContact O-OG 2.89Å; M138-R219 HydrophobicContact CE-CB 4.23Å; M138-R219 HydrophobicContact SD-CB 4Å; M138-R219 HydrophobicContact SD-CG 3.94Å
139	K	98.4	Very high	97.6	Very high	101 Å²	101	50.4 Å²	50.4	44%	0.439	23%	0.23	S	C	.	.	S	Bend	trans	-49	147.7	-178.8	67.8	169.2	-170.8	154.5	0	112.4	T142 D221	K139-T142 VanDerWaalsContact O-CB 3.28Å; K139-T142 WeakPolarHBondContact O-CB 3.36Å; K139-T142 PolarHBondContact O-N 3.11Å; K139-T142 VanDerWaalsContact O-N 3.12Å; K139-T142 PolarHBondContact O-OG1 2.91Å; K139-D221 WeakPolarHBondContact CE-OD2 3.33Å; K139-D221 VanDerWaalsContact NZ-CG 3.33Å; K139-D221 IonicContact NZ-OD1 2.63Å; K139-D221 IonicContact NZ-OD2 2.67Å; K139-D221 PolarHBondContact NZ-OD2 2.86Å
140	P	98.8	Very high	97.3	Very high	20 Å²	20	46.4 Å²	46.4	13%	0.13	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	142.9	174.5	-24	33	0	0	0	111.5	Q75 F78 T142 S158	Q75-P140 PolarHBondContact NE2-O 2.95Å; F78-P140 HydrophobicContact CB-CB 4.08Å; F78-P140 VanDerWaalsContact O-CB 3.26Å; F78-P140 WeakPolarHBondContact O-CB 3.33Å; P140-T142 VanDerWaalsContact C-N 3.32Å; P140-S158 CarbonylContact C-O 3.26Å; P140-S158 WeakPolarHBondContact CA-O 3.31Å
141	G	98.7	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-9.5	-173.5	0	0	0	0	0	114.2	I143 S158 L222	G141-I143 PolarHBondContact O-N 2.85Å; G141-S158 PolarHBondContact N-O 2.85Å; G141-L222 VanDerWaalsContact O-CB 3.25Å; G141-L222 WeakPolarHBondContact O-CB 3.44Å; G141-L222 PolarHBondContact O-N 2.71Å
142	T	98.9	Very high	97	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-67.9	126.8	173.1	-56	0	0	0	0	110.7	A135 M138 K139 P140 V157 S158 R220	A135-T142 HydrophobicContact CB-CG2 4.1Å; M138-T142 HydrophobicContact CB-CG2 3.85Å; M138-T142 WeakPolarHBondContact CB-OG1 3.27Å; M138-T142 HydrophobicContact CE-CG2 3.93Å; M138-T142 HydrophobicContact CG-CG2 4.48Å; M138-T142 HydrophobicContact SD-CG2 3.91Å; K139-T142 VanDerWaalsContact O-CB 3.28Å; K139-T142 WeakPolarHBondContact O-CB 3.36Å; K139-T142 PolarHBondContact O-N 3.11Å; K139-T142 VanDerWaalsContact O-N 3.12Å; K139-T142 PolarHBondContact O-OG1 2.91Å; P140-T142 VanDerWaalsContact C-N 3.32Å; T142-V157 WeakPolarHBondContact O-CA 3.43Å; T142-S158 PolarHBondContact O-N 3.36Å; T142-R220 WeakPolarHBondContact CA-O 3.24Å
143	I	98.9	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.5	178	-60.9	174.7	0	0	0	109.5	G141 V145 M155 N156 F217 R219 R220 L222 V228	G141-I143 PolarHBondContact O-N 2.85Å; I143-V145 HydrophobicContact CG2-CG2 3.61Å; I143-M155 HydrophobicContact CD1-CE 4.1Å; I143-M155 HydrophobicContact CG1-CE 4.17Å; I143-M155 HydrophobicContact CG2-CE 4.12Å; I143-M155 HydrophobicContact CG2-CG 4.2Å; I143-N156 WeakPolarHBondContact CA-O 3.5Å; I143-F217 WeakPolarHBondContact CB-O 3.46Å; I143-F217 WeakPolarHBondContact CG2-O 3.49Å; I143-R219 WeakPolarHBondContact O-CA 3.34Å; I143-R219 PolarHBondContact O-N 2.55Å; I143-R220 WeakPolarHBondContact CB-O 3.47Å; I143-R220 HydrophobicContact CD1-CB 4.29Å; I143-R220 PolarHBondContact N-O 3.4Å; I143-L222 HydrophobicContact CD1-CB 4.2Å; I143-L222 HydrophobicContact CD1-CD1 3.87Å; I143-L222 HydrophobicContact CG1-CB 3.93Å; I143-L222 HydrophobicContact CG1-CD1 4.29Å; I143-V228 HydrophobicContact CD1-CG1 3.59Å
144	Y	98.8	Very high	97.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	104.8	171.4	172.3	-142.2	0	0	0	110.5	H123 R132 A135 M136 Y146 N156 D218	H123-Y144 AromaticContact ND1-CE1 3.69Å; H123-Y144 AromaticContact ND1-CZ 3.7Å; H123-Y144 PolarHBondContact ND1-OH 2.85Å; R132-Y144 WeakPolarHBondContact O-CE2 3.26Å; A135-Y144 HydrophobicContact CB-CD2 3.99Å; A135-Y144 HydrophobicContact CB-CG 4.09Å; M136-Y144 HydrophobicContact CG-CD1 3.38Å; M136-Y144 HydrophobicContact CG-CE1 3.74Å; M136-Y144 HydrophobicContact CG-CG 3.98Å; M136-Y144 HydrophobicContact SD-CD1 3.75Å; M136-Y144 HydrophobicContact SD-CE1 3.51Å; M136-Y144 VanDerWaalsContact SD-CE1 3.51Å; Y144-Y146 AromaticContact CD1-CD1 3.95Å; Y144-Y146 HydrophobicContact CD1-CD1 3.95Å; Y144-Y146 HydrophobicContact CD1-CE1 4.29Å; Y144-Y146 HydrophobicContact CD2-CD1 4.32Å; Y144-Y146 AromaticContact CE1-CD1 3.37Å; Y144-Y146 HydrophobicContact CE1-CD1 3.37Å; Y144-Y146 AromaticContact CE1-CE1 3.71Å; Y144-Y146 HydrophobicContact CE1-CE1 3.71Å; Y144-Y146 HydrophobicContact CE1-CG 4.38Å; Y144-Y146 AromaticContact CE2-CD1 3.76Å; Y144-Y146 HydrophobicContact CE2-CD1 3.76Å; Y144-Y146 HydrophobicContact CE2-CG 4.19Å; Y144-Y146 HydrophobicContact CG-CD1 4.41Å; Y144-Y146 AromaticContact CZ-CD1 3.27Å; Y144-Y146 AromaticContact CZ-CG 3.87Å; Y144-N156 HydrophobicContact CD1-CB 4.1Å; Y144-N156 PolarHBondContact N-O 3.34Å; Y144-N156 PolarHBondContact O-N 2.89Å; Y144-N156 PolarHBondContact O-ND2 3.5Å; Y144-N156 VanDerWaalsContact O-ND2 3.13Å; Y144-D218 WeakPolarHBondContact CA-OD1 3.28Å; Y144-D218 WeakPolarHBondContact CD2-OD1 3.39Å
145	V	98.7	Very high	97.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.6	179.1	173.4	0	0	0	0	110.5	I143 L153 C154 M155 I213 F217 D218	I143-V145 HydrophobicContact CG2-CG2 3.61Å; V145-L153 HydrophobicContact CG1-CB 4.26Å; V145-L153 HydrophobicContact CG1-CD1 4.16Å; V145-L153 HydrophobicContact CG1-CD2 4.15Å; V145-L153 HydrophobicContact CG1-CG 4.42Å; V145-C154 VanDerWaalsContact CA-O 3.3Å; V145-C154 WeakPolarHBondContact CA-O 3.49Å; V145-M155 HydrophobicContact CG2-CB 4.1Å; V145-M155 HydrophobicContact CG2-CG 4.08Å; V145-I213 HydrophobicContact CG2-CG2 3.97Å; V145-F217 HydrophobicContact CG2-CB 4.42Å; V145-D218 HydrophobicContact CB-CB 4.26Å; V145-D218 PolarHBondContact N-OD1 3.24Å
146	Y	98.1	Very high	97.2	Very high	16 Å²	16	40.1 Å²	40.1	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.2	-177.4	66.9	-100.6	0	0	0	113.6	H123 Y144 I148 L153 C154 N156	H123-Y146 AromaticContact CE1-CD2 3.94Å; H123-Y146 AromaticContact CE1-CE1 3.65Å; H123-Y146 AromaticContact CE1-CE2 3.6Å; H123-Y146 AromaticContact CE1-CZ 3.44Å; H123-Y146 VanDerWaalsContact CE1-CZ 3.44Å; Y144-Y146 AromaticContact CD1-CD1 3.95Å; Y144-Y146 HydrophobicContact CD1-CD1 3.95Å; Y144-Y146 HydrophobicContact CD1-CE1 4.29Å; Y144-Y146 HydrophobicContact CD2-CD1 4.32Å; Y144-Y146 AromaticContact CE1-CD1 3.37Å; Y144-Y146 HydrophobicContact CE1-CD1 3.37Å; Y144-Y146 AromaticContact CE1-CE1 3.71Å; Y144-Y146 HydrophobicContact CE1-CE1 3.71Å; Y144-Y146 HydrophobicContact CE1-CG 4.38Å; Y144-Y146 AromaticContact CE2-CD1 3.76Å; Y144-Y146 HydrophobicContact CE2-CD1 3.76Å; Y144-Y146 HydrophobicContact CE2-CG 4.19Å; Y144-Y146 HydrophobicContact CG-CD1 4.41Å; Y144-Y146 AromaticContact CZ-CD1 3.27Å; Y144-Y146 AromaticContact CZ-CG 3.87Å; Y146-I148 HydrophobicContact CD2-CB 4.48Å; Y146-I148 HydrophobicContact CE2-CB 4.12Å; Y146-L153 WeakPolarHBondContact O-CA 3.25Å; Y146-C154 HydrophobicContact CD1-CB 4.42Å; Y146-C154 HydrophobicContact CD2-CB 4.43Å; Y146-C154 HydrophobicContact CE1-CB 3.93Å; Y146-C154 HydrophobicContact CE2-CB 3.93Å; Y146-C154 PolarHBondContact N-O 3.18Å; Y146-C154 PolarHBondContact O-N 2.73Å; Y146-N156 WeakPolarHBondContact CE1-ND2 3.45Å
147	P	97.1	Very high	97.2	Very high	44 Å²	44	39.9 Å²	39.9	29%	0.286	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.9	172.3	31	-33.9	0	0	0	112.5	R132 Y152 L153	R132-P147 PolarHBondContact NH2-O 2.88Å; P147-Y152 CarbonylContact C-O 3.47Å; P147-Y152 WeakPolarHBondContact CA-O 3.37Å; P147-L153 HydrophobicContact CB-CD2 4.3Å
148	I	94.3	Very high	97.2	Very high	41 Å²	41	38.1 Å²	38.1	21%	0.21	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141	172.4	-162.6	176.3	0	0	0	109.4	Y146 G150 I151 Y152	Y146-I148 HydrophobicContact CD2-CB 4.48Å; Y146-I148 HydrophobicContact CE2-CB 4.12Å; I148-G150 PolarHBondContact O-N 3.32Å; I148-I151 PolarHBondContact O-N 2.91Å; I148-Y152 PolarHBondContact N-O 3.44Å; I148-Y152 PolarHBondContact O-N 3.37Å; I148-Y152 VanDerWaalsContact O-N 3.08Å
149	Y	91.7	Very high	97.2	Very high	185 Å²	185	34.8 Å²	34.8	73%	0.725	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	30.4	-176.7	-48.1	-61.1	0	0	0	113.9	I151 Y152	Y149-I151 PolarHBondContact O-N 3.3Å; Y149-Y152 HydrophobicContact CD2-CD2 4.42Å
150	G	89.8	Confident	97.2	Very high	74 Å²	74	34.5 Å²	34.5	76%	0.763	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	-29.5	178.4	0	0	0	0	0	116	I148	I148-G150 PolarHBondContact O-N 3.32Å
151	I	91.6	Very high	97.1	Very high	102 Å²	102	35.7 Å²	35.7	52%	0.523	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-16.3	-168	63.4	172	0	0	0	114.8	I148 Y149 R187	I148-I151 PolarHBondContact O-N 2.91Å; Y149-I151 PolarHBondContact O-N 3.3Å; I151-R187 PolarHBondContact O-NH1 3.46Å
152	Y	96.8	Very high	97	Very high	92 Å²	92	41.7 Å²	41.7	36%	0.361	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	158	-174.4	-64.9	-56.1	0	0	0	111.3	P147 I148 Y149 S205 Q209	P147-Y152 CarbonylContact C-O 3.47Å; P147-Y152 WeakPolarHBondContact CA-O 3.37Å; I148-Y152 PolarHBondContact N-O 3.44Å; I148-Y152 PolarHBondContact O-N 3.37Å; I148-Y152 VanDerWaalsContact O-N 3.08Å; Y149-Y152 HydrophobicContact CD2-CD2 4.42Å; Y152-S205 WeakPolarHBondContact CB-OG 3.42Å; Y152-Q209 VanDerWaalsContact CD1-NE2 3.33Å
153	L	98.3	Very high	97	Very high	39 Å²	39	41.6 Å²	41.6	20%	0.204	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.7	174.4	-64.5	175.8	0	0	0	109.9	V145 Y146 P147 S205 C208 I213	V145-L153 HydrophobicContact CG1-CB 4.26Å; V145-L153 HydrophobicContact CG1-CD1 4.16Å; V145-L153 HydrophobicContact CG1-CD2 4.15Å; V145-L153 HydrophobicContact CG1-CG 4.42Å; Y146-L153 WeakPolarHBondContact O-CA 3.25Å; P147-L153 HydrophobicContact CB-CD2 4.3Å; L153-S205 WeakPolarHBondContact O-CA 3.46Å; L153-S205 VanDerWaalsContact O-CB 3.3Å; L153-S205 WeakPolarHBondContact O-CB 3.26Å; L153-S205 PolarHBondContact O-OG 3.16Å; L153-C208 HydrophobicContact CB-CB 4.18Å; L153-I213 WeakPolarHBondContact CD1-O 3.4Å
154	C	98.6	Very high	96.9	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.5	164.9	-71.4	0	0	0	0	108.6	V145 Y146 L167	V145-C154 VanDerWaalsContact CA-O 3.3Å; V145-C154 WeakPolarHBondContact CA-O 3.49Å; Y146-C154 HydrophobicContact CD1-CB 4.42Å; Y146-C154 HydrophobicContact CD2-CB 4.43Å; Y146-C154 HydrophobicContact CE1-CB 3.93Å; Y146-C154 HydrophobicContact CE2-CB 3.93Å; Y146-C154 PolarHBondContact N-O 3.18Å; Y146-C154 PolarHBondContact O-N 2.73Å; C154-L167 HydrophobicContact CB-CD1 3.83Å
155	M	98.8	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.9	178.1	177.8	179.2	173.1	0	0	109.8	L94 I143 V145 L167 L168 I213 L222 V228	L94-M155 HydrophobicContact CD1-CE 4.3Å; L94-M155 HydrophobicContact CD2-SD 4.35Å; I143-M155 HydrophobicContact CD1-CE 4.1Å; I143-M155 HydrophobicContact CG1-CE 4.17Å; I143-M155 HydrophobicContact CG2-CE 4.12Å; I143-M155 HydrophobicContact CG2-CG 4.2Å; V145-M155 HydrophobicContact CG2-CB 4.1Å; V145-M155 HydrophobicContact CG2-CG 4.08Å; M155-L167 WeakPolarHBondContact O-CD1 3.49Å; M155-L168 HydrophobicContact CE-CD1 4.36Å; M155-L168 PolarHBondContact O-N 2.99Å; M155-L168 HydrophobicContact SD-CD1 4.39Å; M155-I213 HydrophobicContact SD-CD1 4.43Å; M155-I213 HydrophobicContact SD-CG1 4.43Å; M155-I213 HydrophobicContact SD-CG2 4.33Å; M155-L222 HydrophobicContact CE-CD1 4.25Å; M155-V228 HydrophobicContact CE-CG2 4.36Å
156	N	98.9	Very high	97	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	166.3	175.5	-44.5	-111.3	0	0	0	108.8	I143 Y144 Y146 A165 V166 L167	I143-N156 WeakPolarHBondContact CA-O 3.5Å; Y144-N156 HydrophobicContact CD1-CB 4.1Å; Y144-N156 PolarHBondContact N-O 3.34Å; Y144-N156 PolarHBondContact O-N 2.89Å; Y144-N156 PolarHBondContact O-ND2 3.5Å; Y144-N156 VanDerWaalsContact O-ND2 3.13Å; Y146-N156 WeakPolarHBondContact CE1-ND2 3.45Å; N156-A165 HydrophobicContact CB-CB 4.16Å; N156-V166 CarbonylContact C-O 3.44Å; N156-V166 WeakPolarHBondContact CA-O 3.39Å; N156-V166 WeakPolarHBondContact CB-O 3.24Å; N156-L167 WeakPolarHBondContact OD1-CA 3.4Å; N156-L167 VanDerWaalsContact OD1-CB 3.26Å; N156-L167 WeakPolarHBondContact OD1-CB 3.25Å; N156-L167 WeakPolarHBondContact OD1-CD1 3.29Å
157	V	98.9	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.2	174.7	-172.2	0	0	0	0	108.3	F78 F89 T142 A165 V166 L222	F78-V157 HydrophobicContact CD1-CG1 3.95Å; F78-V157 HydrophobicContact CE1-CG1 4.14Å; F89-V157 HydrophobicContact CE2-CB 4.01Å; F89-V157 HydrophobicContact CE2-CG2 4.12Å; F89-V157 HydrophobicContact CZ-CB 3.78Å; F89-V157 HydrophobicContact CZ-CG1 3.99Å; F89-V157 HydrophobicContact CZ-CG2 3.89Å; T142-V157 WeakPolarHBondContact O-CA 3.43Å; V157-A165 CarbonylContact O-C 3.57Å; V157-A165 VanDerWaalsContact O-CA 3.29Å; V157-A165 WeakPolarHBondContact O-CA 3.46Å; V157-A165 WeakPolarHBondContact O-CB 3.46Å; V157-V166 PolarHBondContact N-O 3.07Å; V157-V166 PolarHBondContact O-N 3.15Å; V157-L222 HydrophobicContact CG1-CD2 4.17Å; V157-L222 HydrophobicContact CG2-CD2 3.7Å
158	S	98.9	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	138.2	175.1	-173.7	0	0	0	0	110.2	A135 M138 P140 G141 T142	A135-S158 WeakPolarHBondContact O-CB 3.38Å; M138-S158 PolarHBondContact O-OG 2.89Å; P140-S158 CarbonylContact C-O 3.26Å; P140-S158 WeakPolarHBondContact CA-O 3.31Å; G141-S158 PolarHBondContact N-O 2.85Å; T142-S158 PolarHBondContact O-N 3.36Å
159	S	98.8	Very high	97.3	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.021	20%	0.202	C	C	.	.			trans	-112	-176.7	175	71.5	0	0	0	0	110.7	C82 A164	C82-S159 VanDerWaalsContact CA-OG 3.24Å; C82-S159 WeakPolarHBondContact CA-OG 3.31Å; C82-S159 WeakPolarHBondContact CB-OG 3.22Å; S159-A164 PolarHBondContact N-O 2.97Å; S159-A164 VanDerWaalsContact N-O 3.08Å; S159-A164 WeakPolarHBondContact OG-CB 3.45Å
160	E	98.3	Very high	97.6	Very high	94 Å²	94	29 Å²	29	44%	0.439	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-61.9	140	160	-168.4	-170	171.8	0	0	109.7	Q80 P81	Q80-E160 WeakPolarHBondContact CA-OE2 3.32Å; Q80-E160 WeakPolarHBondContact O-CB 3.32Å; Q80-E160 PolarHBondContact O-N 3.47Å; P81-E160 WeakPolarHBondContact CD-OE2 3.32Å
161	G	96.4	Very high	98.1	Very high	45 Å²	45	25.5 Å²	25.5	46%	0.464	13%	0.131	S	C	.	.	S	Bend	trans	110.3	137.5	-178	0	0	0	0	0	113.5	G163 A164	G161-G163 PolarHBondContact O-N 3.12Å; G161-G163 VanDerWaalsContact O-N 3.14Å; G161-A164 WeakPolarHBondContact O-CB 3.49Å; G161-A164 PolarHBondContact O-N 2.88Å
162	E	96.5	Very high	98.4	Very high	126 Å²	126	22.9 Å²	22.9	59%	0.589	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	112.7	-177.1	-78.1	-65.7	158.3	0	0	112.8	R129 F137 A164	R129-E162 IonicContact CZ-OE2 3.76Å; R129-E162 IonicContact NH2-OE1 3.37Å; R129-E162 IonicContact NH2-OE2 2.7Å; R129-E162 PolarHBondContact NH2-OE2 3.39Å; F137-E162 WeakPolarHBondContact CD1-OE2 3.5Å; E162-A164 PolarHBondContact O-N 3.23Å
163	G	98.2	Very high	98.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	13.2	-178.3	0	0	0	0	0	113.1	S124 M136 F137 G161	S124-G163 WeakPolarHBondContact CB-O 3.31Å; S124-G163 PolarHBondContact OG-O 2.97Å; M136-G163 WeakPolarHBondContact CE-O 3.46Å; M136-G163 CarbonylContact O-C 3.41Å; M136-G163 WeakPolarHBondContact O-CA 3.43Å; M136-G163 PolarHBondContact O-N 3.3Å; F137-G163 VanDerWaalsContact CD1-N 3.34Å; F137-G163 VanDerWaalsContact CE1-CA 3.45Å; G161-G163 PolarHBondContact O-N 3.12Å; G161-G163 VanDerWaalsContact O-N 3.14Å
164	A	98.7	Very high	98.5	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.017	11%	0.11	C	C	.	.			trans	-88.4	138.3	-178.8	0	0	0	0	0	111.4	C82 Y114 S159 G161 E162	C82-A164 HydrophobicContact CB-CB 4.07Å; Y114-A164 CarbonylContact O-C 3.56Å; Y114-A164 VanDerWaalsContact O-CA 3.27Å; Y114-A164 WeakPolarHBondContact O-CA 3.33Å; S159-A164 PolarHBondContact N-O 2.97Å; S159-A164 VanDerWaalsContact N-O 3.08Å; S159-A164 WeakPolarHBondContact OG-CB 3.45Å; G161-A164 WeakPolarHBondContact O-CB 3.49Å; G161-A164 PolarHBondContact O-N 2.88Å; E162-A164 PolarHBondContact O-N 3.23Å
165	A	98.8	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.9	178.4	0	0	0	0	0	112.2	C82 Y114 M136 N156 V157	C82-A165 PolarHBondContact SG-O 3.4Å; C82-A165 VanDerWaalsContact SG-O 3.35Å; Y114-A165 WeakPolarHBondContact CB-O 3.47Å; Y114-A165 PolarHBondContact N-O 2.88Å; Y114-A165 PolarHBondContact O-N 3.1Å; M136-A165 HydrophobicContact CE-CB 3.69Å; M136-A165 HydrophobicContact CG-CB 4.08Å; N156-A165 HydrophobicContact CB-CB 4.16Å; V157-A165 CarbonylContact O-C 3.57Å; V157-A165 VanDerWaalsContact O-CA 3.29Å; V157-A165 WeakPolarHBondContact O-CA 3.46Å; V157-A165 WeakPolarHBondContact O-CB 3.46Å
166	V	98.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.4	176.4	-179.5	0	0	0	0	110	C82 L85 A86 F89 T111 E112 N156 V157	C82-V166 WeakPolarHBondContact O-CG2 3.36Å; L85-V166 HydrophobicContact CB-CG2 4.04Å; L85-V166 HydrophobicContact CD2-CG2 4.07Å; L85-V166 HydrophobicContact CG-CG2 4.06Å; A86-V166 HydrophobicContact CB-CB 4.4Å; A86-V166 HydrophobicContact CB-CG1 3.67Å; A86-V166 HydrophobicContact CB-CG2 3.81Å; F89-V166 HydrophobicContact CD2-CB 4.14Å; F89-V166 HydrophobicContact CD2-CG1 3.64Å; F89-V166 HydrophobicContact CE2-CB 3.82Å; F89-V166 HydrophobicContact CE2-CG1 3.83Å; F89-V166 HydrophobicContact CE2-CG2 4.42Å; T111-V166 HydrophobicContact CG2-CG1 4.22Å; E112-V166 CarbonylContact O-C 3.56Å; E112-V166 VanDerWaalsContact O-CA 3.28Å; E112-V166 WeakPolarHBondContact O-CA 3.31Å; N156-V166 CarbonylContact C-O 3.44Å; N156-V166 WeakPolarHBondContact CA-O 3.39Å; N156-V166 WeakPolarHBondContact CB-O 3.24Å; V157-V166 PolarHBondContact N-O 3.07Å; V157-V166 PolarHBondContact O-N 3.15Å
167	L	98.9	Very high	98.4	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.5	170.9	176.4	65.8	0	0	0	110.1	T111 E112 Y114 C154 M155 N156 R169 P204	T111-L167 CarbonylContact C-O 3.41Å; T111-L167 VanDerWaalsContact CA-O 3.25Å; T111-L167 WeakPolarHBondContact CA-O 3.11Å; E112-L167 HydrophobicContact CB-CB 4.21Å; E112-L167 PolarHBondContact N-O 3.27Å; E112-L167 PolarHBondContact O-N 3.31Å; E112-L167 WeakPolarHBondContact OE2-CD2 3.38Å; Y114-L167 HydrophobicContact CD2-CB 4.29Å; Y114-L167 HydrophobicContact CE2-CB 3.85Å; Y114-L167 HydrophobicContact CE2-CD2 4.2Å; C154-L167 HydrophobicContact CB-CD1 3.83Å; M155-L167 WeakPolarHBondContact O-CD1 3.49Å; N156-L167 WeakPolarHBondContact OD1-CA 3.4Å; N156-L167 VanDerWaalsContact OD1-CB 3.26Å; N156-L167 WeakPolarHBondContact OD1-CB 3.25Å; N156-L167 WeakPolarHBondContact OD1-CD1 3.29Å; L167-R169 HydrophobicContact CD2-CG 3.82Å; L167-R169 HydrophobicContact CG-CG 3.91Å; L167-P204 HydrophobicContact CD1-CB 4.13Å; L167-P204 HydrophobicContact CD2-CB 4.3Å; L167-P204 HydrophobicContact CG-CB 4.43Å
168	L	98.9	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.9	165.7	-56.1	-172.9	0	0	0	108.8	F89 L94 I108 T111 M155 L207	F89-L168 HydrophobicContact CD2-CD2 3.65Å; F89-L168 HydrophobicContact CE2-CD2 3.93Å; F89-L168 HydrophobicContact CG-CD2 4.32Å; L94-L168 HydrophobicContact CD2-CD1 3.93Å; I108-L168 HydrophobicContact CD1-CD1 4.28Å; I108-L168 HydrophobicContact CD1-CD2 3.89Å; I108-L168 HydrophobicContact CG1-CD2 4.5Å; I108-L168 HydrophobicContact CG2-CD2 4.35Å; T111-L168 HydrophobicContact CG2-CD2 4.06Å; M155-L168 HydrophobicContact CE-CD1 4.36Å; M155-L168 PolarHBondContact O-N 2.99Å; M155-L168 HydrophobicContact SD-CD1 4.39Å; L168-L207 HydrophobicContact CB-CD2 4.28Å
169	R	98.9	Very high	98.3	Very high	21 Å²	21	32.4 Å²	32.4	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-37	-174.8	-69.3	-162.8	67	89	7.3	114.5	E110 E112 L167 G203 L207	E110-R169 HydrophobicContact CB-CB 4.03Å; E110-R169 HydrophobicContact CG-CB 3.7Å; E110-R169 HydrophobicContact CG-CG 4.43Å; E110-R169 WeakPolarHBondContact O-CB 3.36Å; E110-R169 PolarHBondContact O-N 2.89Å; E110-R169 IonicContact OE1-NE 2.89Å; E112-R169 VanDerWaalsContact CD-NH1 3.29Å; E112-R169 HydrophobicContact CG-CG 4.27Å; E112-R169 WeakPolarHBondContact OE1-CD 3.33Å; E112-R169 IonicContact OE1-CZ 3.72Å; E112-R169 IonicContact OE1-NE 2.69Å; E112-R169 PolarHBondContact OE1-NE 3Å; E112-R169 IonicContact OE1-NH1 2.6Å; E112-R169 PolarHBondContact OE1-NH1 2.86Å; E112-R169 IonicContact OE2-CZ 3.49Å; E112-R169 IonicContact OE2-NE 3.17Å; E112-R169 IonicContact OE2-NH1 3.18Å; E112-R169 PolarHBondContact OE2-NH1 2.79Å; L167-R169 HydrophobicContact CD2-CG 3.82Å; L167-R169 HydrophobicContact CG-CG 3.91Å; R169-G203 CarbonylContact O-C 3.58Å; R169-G203 WeakPolarHBondContact O-CA 3.4Å; R169-G203 PolarHBondContact O-N 3.33Å; R169-L207 VanDerWaalsContact C-CD2 3.45Å
170	S	98.8	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.1	-179.8	-169.3	0	0	0	0	112.7	V109 E110 C201 N202 C272	V109-S170 PolarHBondContact N-O 3.13Å; E110-S170 PolarHBondContact N-O 3.33Å; E110-S170 PolarHBondContact O-N 2.97Å; S170-C201 VanDerWaalsContact CA-O 3.32Å; S170-C201 WeakPolarHBondContact CA-O 3.4Å; S170-C201 PolarHBondContact OG-O 3.13Å; S170-N202 WeakPolarHBondContact OG-CA 3.47Å; S170-C272 PolarHBondContact OG-O 3.19Å
171	L	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.1	172	-43.8	173.9	0	0	0	111	L94 R107 I108 C201 L207 L211	L94-L171 HydrophobicContact CB-CD1 4.49Å; L94-L171 HydrophobicContact CB-CD2 4.49Å; L94-L171 HydrophobicContact CD2-CD1 4.12Å; R107-L171 CarbonylContact O-C 3.56Å; R107-L171 WeakPolarHBondContact O-CA 3.1Å; I108-L171 HydrophobicContact CB-CD2 4.1Å; I108-L171 HydrophobicContact CG1-CD2 3.5Å; I108-L171 VanDerWaalsContact CG1-CD2 3.5Å; L171-C201 HydrophobicContact CB-CB 3.73Å; L171-C201 HydrophobicContact CG-CB 4.33Å; L171-C201 PolarHBondContact N-O 2.76Å; L171-C201 VanDerWaalsContact O-CB 3.24Å; L171-C201 WeakPolarHBondContact O-CB 3.17Å; L171-L207 HydrophobicContact CD1-CB 3.87Å; L171-L207 HydrophobicContact CG-CB 4Å; L171-L207 HydrophobicContact CG-CD2 4.11Å; L171-L211 HydrophobicContact CD1-CD1 3.52Å; L171-L211 HydrophobicContact CD1-CG 4.3Å
172	E	98.6	Very high	98.2	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.224	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.3	158	-177	-170.2	-173.3	0	0	108.9	G106 R107 V109 L174 H270 C272	G106-E172 CarbonylContact C-O 3.57Å; G106-E172 WeakPolarHBondContact CA-O 3.13Å; R107-E172 HydrophobicContact CB-CB 4.18Å; R107-E172 IonicContact CZ-OE2 2.72Å; R107-E172 PolarHBondContact N-O 2.88Å; R107-E172 IonicContact NE-OE2 3.89Å; R107-E172 IonicContact NH1-OE1 2.77Å; R107-E172 IonicContact NH1-OE2 3.27Å; R107-E172 PolarHBondContact NH1-OE2 2.94Å; R107-E172 PolarHBondContact O-N 3.01Å; V109-E172 HydrophobicContact CG1-CB 3.96Å; E172-L174 HydrophobicContact CG-CD2 4.3Å; E172-L174 PolarHBondContact O-N 3.43Å; E172-H270 IonicContact OE2-CE1 3.95Å; E172-H270 IonicContact OE2-NE2 3.63Å; E172-H270 PolarHBondContact OE2-NE2 3.4Å; E172-C272 HydrophobicContact CB-CB 4.46Å
173	P	98.4	Very high	98.2	Very high	15 Å²	15	30.4 Å²	30.4	10%	0.097	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	119.9	177.6	-22.1	34.9	0	0	0	112.3	Q177 M180 L200 C201	P173-Q177 HydrophobicContact CB-CG 3.76Å; P173-Q177 PolarHBondContact O-NE2 2.97Å; P173-M180 HydrophobicContact CB-CE 4.38Å; P173-M180 HydrophobicContact CB-SD 3.82Å; P173-M180 HydrophobicContact CG-SD 4.29Å; P173-L200 HydrophobicContact CB-CD1 4.43Å; P173-L200 HydrophobicContact CG-CB 3.99Å; P173-L200 HydrophobicContact CG-CD1 4.17Å; P173-C201 HydrophobicContact CG-CB 4.36Å
174	L	97.8	Very high	98.1	Very high	62 Å²	62	31.7 Å²	31.7	33%	0.325	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-38.9	179.8	-60.8	-176.7	0	0	0	112.8	V93 R105 R107 E172 Q177	V93-L174 HydrophobicContact CG1-CD1 4.13Å; V93-L174 HydrophobicContact CG2-CD1 3.85Å; R105-L174 HydrophobicContact CB-CB 4.2Å; R105-L174 PolarHBondContact O-N 3.28Å; R107-L174 HydrophobicContact CB-CD1 4.03Å; R107-L174 HydrophobicContact CB-CD2 4.48Å; R107-L174 HydrophobicContact CB-CG 4.29Å; E172-L174 HydrophobicContact CG-CD2 4.3Å; E172-L174 PolarHBondContact O-N 3.43Å; L174-Q177 PolarHBondContact O-NE2 2.71Å
175	Q	98.1	Very high	97.8	Very high	87 Å²	87	34 Å²	34	41%	0.407	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.5	-178.8	-176.3	179.8	-36.9	0	0	110.7	E103 L104 R105 M180	E103-Q175 PolarHBondContact O-NE2 2.82Å; L104-Q175 WeakPolarHBondContact CA-O 3.49Å; R105-Q175 HydrophobicContact CB-CB 3.86Å; R105-Q175 HydrophobicContact CG-CB 4.06Å; R105-Q175 PolarHBondContact N-O 3.39Å; R105-Q175 PolarHBondContact O-N 3.19Å; Q175-M180 WeakPolarHBondContact O-CE 3.26Å
176	G	98.3	Very high	97.3	Very high	19 Å²	19	38.3 Å²	38.3	20%	0.196	22%	0.219	C	C	.	.			trans	87.3	20.5	174.2	0	0	0	0	0	114.6	P178 A179 M180	G176-P178 VanDerWaalsContact C-CD 3.46Å; G176-P178 VanDerWaalsContact C-N 3.35Å; G176-A179 PolarHBondContact O-N 3.5Å; G176-A179 VanDerWaalsContact O-N 3.1Å; G176-M180 WeakPolarHBondContact O-CG 3.48Å; G176-M180 PolarHBondContact O-N 3.21Å
177	Q	98.3	Very high	96.4	Very high	44 Å²	44	46 Å²	46	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-53.2	-40.6	-178.7	-60.7	82.6	-13	0	0	113.5	P173 L174 A179 M180 R181 L200	P173-Q177 HydrophobicContact CB-CG 3.76Å; P173-Q177 PolarHBondContact O-NE2 2.97Å; L174-Q177 PolarHBondContact O-NE2 2.71Å; Q177-A179 PolarHBondContact O-N 2.87Å; Q177-M180 PolarHBondContact O-N 2.99Å; Q177-R181 WeakPolarHBondContact O-CB 3.36Å; Q177-R181 PolarHBondContact O-N 2.55Å; Q177-L200 HydrophobicContact CB-CD1 4.08Å; Q177-L200 HydrophobicContact CG-CD1 4.34Å
178	P	97.4	Very high	95.9	Very high	96 Å²	96	51 Å²	51	62%	0.623	27%	0.267	S	S	*	.	H	α-helix	trans	-57.6	-46.7	174.8	-26.6	36.4	0	0	0	113.2	G176 R181 E182	G176-P178 VanDerWaalsContact C-CD 3.46Å; G176-P178 VanDerWaalsContact C-N 3.35Å; P178-R181 WeakPolarHBondContact O-CB 3.15Å; P178-R181 PolarHBondContact O-N 3.31Å; P178-E182 PolarHBondContact O-N 3.22Å; P178-E182 VanDerWaalsContact O-N 3.07Å
179	A	97.9	Very high	95.3	Very high	16 Å²	16	59.9 Å²	59.9	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-41.2	178.1	0	0	0	0	0	112	L104 G176 Q177 R181 E182 L183	L104-A179 HydrophobicContact CD2-CB 3.95Å; G176-A179 PolarHBondContact O-N 3.5Å; G176-A179 VanDerWaalsContact O-N 3.1Å; Q177-A179 PolarHBondContact O-N 2.87Å; A179-R181 PolarHBondContact O-N 3.35Å; A179-E182 PolarHBondContact O-N 3.11Å; A179-L183 VanDerWaalsContact O-CG 3.31Å; A179-L183 WeakPolarHBondContact O-CG 3.41Å; A179-L183 PolarHBondContact O-N 3.01Å
180	M	98.5	Very high	94.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-56.6	-40.5	172.7	-67.4	-178.8	-168.9	0	0	111.4	L104 P173 Q175 G176 Q177 R184 L200 A210 L211	L104-M180 HydrophobicContact CB-CE 3.9Å; P173-M180 HydrophobicContact CB-CE 4.38Å; P173-M180 HydrophobicContact CB-SD 3.82Å; P173-M180 HydrophobicContact CG-SD 4.29Å; Q175-M180 WeakPolarHBondContact O-CE 3.26Å; G176-M180 WeakPolarHBondContact O-CG 3.48Å; G176-M180 PolarHBondContact O-N 3.21Å; Q177-M180 PolarHBondContact O-N 2.99Å; M180-R184 WeakPolarHBondContact O-CB 3.21Å; M180-R184 WeakPolarHBondContact O-CG 3.25Å; M180-R184 PolarHBondContact O-N 3.17Å; M180-R184 VanDerWaalsContact O-N 3.07Å; M180-L200 HydrophobicContact CB-CD1 4.07Å; M180-L200 HydrophobicContact CB-CD2 4.41Å; M180-L200 HydrophobicContact SD-CD1 4.42Å; M180-A210 HydrophobicContact CB-CB 4Å; M180-A210 HydrophobicContact CG-CB 4.12Å; M180-A210 WeakPolarHBondContact CG-O 3.49Å; M180-A210 HydrophobicContact SD-CB 4.45Å; M180-L211 HydrophobicContact CE-CD2 3.78Å
181	R	97.4	Very high	94	Very high	43 Å²	43	72.1 Å²	72.1	16%	0.162	39%	0.385	C	S	.	.	H	α-helix	trans	-66.5	-43.6	179.7	-158	-177.1	-43.8	-62.2	-4	111.9	Q177 P178 A179 R184 A185 Q194 L195 D197 L200	Q177-R181 WeakPolarHBondContact O-CB 3.36Å; Q177-R181 PolarHBondContact O-N 2.55Å; P178-R181 WeakPolarHBondContact O-CB 3.15Å; P178-R181 PolarHBondContact O-N 3.31Å; A179-R181 PolarHBondContact O-N 3.35Å; R181-R184 PolarHBondContact O-N 3.17Å; R181-A185 VanDerWaalsContact O-CB 3.29Å; R181-A185 WeakPolarHBondContact O-CB 3.5Å; R181-A185 PolarHBondContact O-N 3.38Å; R181-Q194 VanDerWaalsContact CD-CG 3.42Å; R181-L195 HydrophobicContact CG-CB 4.26Å; R181-L195 PolarHBondContact NH1-O 3.02Å; R181-D197 IonicContact CZ-OD1 3.5Å; R181-D197 IonicContact NH1-OD1 3.8Å; R181-D197 PolarHBondContact NH1-OD1 3.27Å; R181-D197 IonicContact NH2-OD1 3.81Å; R181-D197 PolarHBondContact NH2-OD1 2.77Å; R181-L200 HydrophobicContact CB-CD2 4.02Å; R181-L200 HydrophobicContact CG-CD2 4.13Å
182	E	95.8	Very high	93.5	Very high	137 Å²	137	74.2 Å²	74.2	64%	0.64	40%	0.402	S	S	*	.	H	α-helix	trans	-59	-52.5	175.5	-174.3	-171.9	168.8	0	0	111.3	P178 A179 R184 A185 A186	P178-E182 PolarHBondContact O-N 3.22Å; P178-E182 VanDerWaalsContact O-N 3.07Å; A179-E182 PolarHBondContact O-N 3.11Å; E182-R184 PolarHBondContact O-N 3.26Å; E182-A185 PolarHBondContact O-N 3.21Å; E182-A186 PolarHBondContact O-N 3.02Å; E182-A186 VanDerWaalsContact O-N 3.11Å
183	L	96.4	Very high	93	Very high	45 Å²	45	83 Å²	83	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-56.7	-37.8	178.4	-71.2	165.9	0	0	0	112.3	L104 A179 Q209 A210 N212	L104-L183 HydrophobicContact CD1-CD1 4.28Å; A179-L183 VanDerWaalsContact O-CG 3.31Å; A179-L183 WeakPolarHBondContact O-CG 3.41Å; A179-L183 PolarHBondContact O-N 3.01Å; L183-Q209 WeakPolarHBondContact CB-O 2.96Å; L183-A210 VanDerWaalsContact CD1-O 3.25Å; L183-A210 WeakPolarHBondContact CD1-O 3.49Å; L183-N212 HydrophobicContact CD1-CB 3.85Å; L183-N212 HydrophobicContact CD2-CB 4.05Å
184	R	95.8	Very high	92.6	Very high	28 Å²	28	89.8 Å²	89.8	11%	0.106	46%	0.464	C	S	.	.	H	α-helix	trans	-76	-32.1	176	-74.9	-147.1	62.9	67.9	15.4	114	M180 R181 E182 L195 L200 K206 A210	M180-R184 WeakPolarHBondContact O-CB 3.21Å; M180-R184 WeakPolarHBondContact O-CG 3.25Å; M180-R184 PolarHBondContact O-N 3.17Å; M180-R184 VanDerWaalsContact O-N 3.07Å; R181-R184 PolarHBondContact O-N 3.17Å; E182-R184 PolarHBondContact O-N 3.26Å; R184-L195 HydrophobicContact CB-CD1 3.4Å; R184-L195 HydrophobicContact CG-CD1 4.25Å; R184-L200 WeakPolarHBondContact CD-O 3.07Å; R184-K206 PolarHBondContact NH1-O 3.33Å; R184-A210 HydrophobicContact CG-CB 4.18Å
185	A	93.2	Very high	92.4	Very high	51 Å²	51	88.1 Å²	88.1	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-71.4	-31.7	-179.4	0	0	0	0	0	112.1	R181 E182 R187 R188	R181-A185 VanDerWaalsContact O-CB 3.29Å; R181-A185 WeakPolarHBondContact O-CB 3.5Å; R181-A185 PolarHBondContact O-N 3.38Å; E182-A185 PolarHBondContact O-N 3.21Å; A185-R187 PolarHBondContact O-N 3.38Å; A185-R188 PolarHBondContact O-N 3.49Å
186	A	87.3	Confident	92.4	Very high	89 Å²	89	90.6 Å²	90.6	74%	0.736	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.3	-179.3	0	0	0	0	0	115.2	E182	E182-A186 PolarHBondContact O-N 3.02Å; E182-A186 VanDerWaalsContact O-N 3.11Å
187	R	81.6	Confident	92.3	Very high	163 Å²	163	93.3 Å²	93.3	62%	0.615	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	5.7	177.1	-63.6	-170.1	176.4	-150.5	4	114	I151 A185	I151-R187 PolarHBondContact O-NH1 3.46Å; A185-R187 PolarHBondContact O-N 3.38Å
188	R	87.2	Confident	92.2	Very high	106 Å²	106	96 Å²	96	40%	0.4	49%	0.486	S	S	.	.	S	Bend	trans	-99	156.9	178.9	-61.3	-172.3	75.6	-163.8	-0.7	109.8	A185 A192 W193 L195	A185-R188 PolarHBondContact O-N 3.49Å; R188-A192 HydrophobicContact CB-CB 4.18Å; R188-W193 PolarHBondContact NH1-O 2.72Å; R188-L195 VanDerWaalsContact NH1-CG 3.27Å
189	K	87.6	Confident	92.1	Very high	187 Å²	187	93.7 Å²	93.7	81%	0.813	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-62.2	145.3	174	-63.8	-176.3	179.4	-176.4	0	109.8	A192	K189-A192 WeakPolarHBondContact O-CB 3.34Å; K189-A192 PolarHBondContact O-N 2.78Å; K189-A192 VanDerWaalsContact O-N 3.14Å
190	E	85.5	Confident	92.2	Very high	200 Å²	200	93 Å²	93	94%	0.935	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	140.6	169.5	-168.3	172.2	-168.6	0	0	110.3	A192	E190-A192 VanDerWaalsContact C-N 3.27Å; E190-A192 PolarHBondContact O-N 3.03Å
191	G	83.6	Confident	92.2	Very high	79 Å²	79	93 Å²	93	81%	0.814	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	4.1	-174.9	0	0	0	0	0	115.6
192	A	88.2	Confident	92.2	Very high	44 Å²	44	91.9 Å²	91.9	36%	0.364	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-64.8	138.1	174.4	0	0	0	0	0	111.9	R188 K189 E190 Q194	R188-A192 HydrophobicContact CB-CB 4.18Å; K189-A192 WeakPolarHBondContact O-CB 3.34Å; K189-A192 PolarHBondContact O-N 2.78Å; K189-A192 VanDerWaalsContact O-N 3.14Å; E190-A192 VanDerWaalsContact C-N 3.27Å; E190-A192 PolarHBondContact O-N 3.03Å; A192-Q194 PolarHBondContact O-N 2.92Å
193	W	88.2	Confident	92.3	Very high	232 Å²	232	85.7 Å²	85.7	88%	0.879	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-50.3	138.5	174.8	-71.1	97	0	0	0	112.5	R188 L195	R188-W193 PolarHBondContact NH1-O 2.72Å; W193-L195 PolarHBondContact O-N 2.85Å
194	Q	91.1	Very high	92.4	Very high	158 Å²	158	84.4 Å²	84.4	74%	0.738	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-55.9	133	176.7	-167.4	176	45.1	0	0	110.3	R181 A192	R181-Q194 VanDerWaalsContact CD-CG 3.42Å; A192-Q194 PolarHBondContact O-N 2.92Å
195	L	94.3	Very high	92.5	Very high	26 Å²	26	84 Å²	84	14%	0.136	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-65	142.8	176.7	-68.1	167.6	0	0	0	109.4	R181 R184 R188 W193 D199 L200	R181-L195 HydrophobicContact CG-CB 4.26Å; R181-L195 PolarHBondContact NH1-O 3.02Å; R184-L195 HydrophobicContact CB-CD1 3.4Å; R184-L195 HydrophobicContact CG-CD1 4.25Å; R188-L195 VanDerWaalsContact NH1-CG 3.27Å; W193-L195 PolarHBondContact O-N 2.85Å; L195-D199 HydrophobicContact CD2-CB 4.4Å; L195-L200 HydrophobicContact CB-CD2 4.12Å; L195-L200 HydrophobicContact CD1-CD2 4.2Å
196	K	96.1	Very high	92.8	Very high	140 Å²	140	85.2 Å²	85.2	61%	0.609	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-82	160	166.2	-58	178.4	-179.9	-177.4	0	109.3	K198 D199 L200	K196-K198 VanDerWaalsContact C-N 3.34Å; K196-K198 HydrophobicContact CB-CG 4.32Å; K196-K198 PolarHBondContact O-N 2.92Å; K196-D199 WeakPolarHBondContact O-CA 3.39Å; K196-D199 WeakPolarHBondContact O-CB 3.28Å; K196-D199 PolarHBondContact O-N 3.38Å; K196-L200 PolarHBondContact O-N 2.93Å
197	D	96.1	Very high	93.3	Very high	75 Å²	75	81 Å²	81	40%	0.401	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-61.9	-42.2	-175.8	-68.4	-5.6	0	0	0	112.7	R181 D199 L200	R181-D197 IonicContact CZ-OD1 3.5Å; R181-D197 IonicContact NH1-OD1 3.8Å; R181-D197 PolarHBondContact NH1-OD1 3.27Å; R181-D197 IonicContact NH2-OD1 3.81Å; R181-D197 PolarHBondContact NH2-OD1 2.77Å; D197-D199 PolarHBondContact O-N 2.96Å; D197-L200 HydrophobicContact CB-CD1 4.44Å; D197-L200 WeakPolarHBondContact O-CB 3.35Å; D197-L200 WeakPolarHBondContact O-CG 3.12Å; D197-L200 PolarHBondContact O-N 2.78Å
198	K	96.6	Very high	94.1	Very high	102 Å²	102	73.4 Å²	73.4	44%	0.443	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-58.9	-19.8	174.1	68.9	170.3	-168.8	162.6	0	114.2	K196 N202	K196-K198 VanDerWaalsContact C-N 3.34Å; K196-K198 HydrophobicContact CB-CG 4.32Å; K196-K198 PolarHBondContact O-N 2.92Å; K198-N202 VanDerWaalsContact O-CB 3.25Å; K198-N202 WeakPolarHBondContact O-CB 3.45Å; K198-N202 PolarHBondContact O-ND2 3.35Å
199	D	96.8	Very high	94.7	Very high	47 Å²	47	69.6 Å²	69.6	25%	0.251	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-95.6	-2.5	-178.5	-60.7	-45.9	0	0	0	113.2	L195 K196 D197 N202	L195-D199 HydrophobicContact CD2-CB 4.4Å; K196-D199 WeakPolarHBondContact O-CA 3.39Å; K196-D199 WeakPolarHBondContact O-CB 3.28Å; K196-D199 PolarHBondContact O-N 3.38Å; D197-D199 PolarHBondContact O-N 2.96Å; D199-N202 WeakPolarHBondContact CA-OD1 3.47Å; D199-N202 PolarHBondContact O-OD1 3.02Å; D199-N202 PolarHBondContact OD1-ND2 2.98Å
200	L	98.1	Very high	95.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-45.5	179.2	-65	174.7	0	0	0	111.3	P173 Q177 M180 R181 R184 L195 K196 D197	P173-L200 HydrophobicContact CB-CD1 4.43Å; P173-L200 HydrophobicContact CG-CB 3.99Å; P173-L200 HydrophobicContact CG-CD1 4.17Å; Q177-L200 HydrophobicContact CB-CD1 4.08Å; Q177-L200 HydrophobicContact CG-CD1 4.34Å; M180-L200 HydrophobicContact CB-CD1 4.07Å; M180-L200 HydrophobicContact CB-CD2 4.41Å; M180-L200 HydrophobicContact SD-CD1 4.42Å; R181-L200 HydrophobicContact CB-CD2 4.02Å; R181-L200 HydrophobicContact CG-CD2 4.13Å; R184-L200 WeakPolarHBondContact CD-O 3.07Å; L195-L200 HydrophobicContact CB-CD2 4.12Å; L195-L200 HydrophobicContact CD1-CD2 4.2Å; K196-L200 PolarHBondContact O-N 2.93Å; D197-L200 HydrophobicContact CB-CD1 4.44Å; D197-L200 WeakPolarHBondContact O-CB 3.35Å; D197-L200 WeakPolarHBondContact O-CG 3.12Å; D197-L200 PolarHBondContact O-N 2.78Å
201	C	98.5	Very high	95.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-122.9	9.9	-170.8	-64.9	0	0	0	0	114.1	S170 L171 P173 G203 L207 A210	S170-C201 VanDerWaalsContact CA-O 3.32Å; S170-C201 WeakPolarHBondContact CA-O 3.4Å; S170-C201 PolarHBondContact OG-O 3.13Å; L171-C201 HydrophobicContact CB-CB 3.73Å; L171-C201 HydrophobicContact CG-CB 4.33Å; L171-C201 PolarHBondContact N-O 2.76Å; L171-C201 VanDerWaalsContact O-CB 3.24Å; L171-C201 WeakPolarHBondContact O-CB 3.17Å; P173-C201 HydrophobicContact CG-CB 4.36Å; C201-G203 PolarHBondContact O-N 3.09Å; C201-L207 HydrophobicContact CB-CB 4.11Å; C201-A210 VanDerWaalsContact SG-CB 3.54Å
202	N	98.3	Very high	96.5	Very high	20 Å²	20	51.2 Å²	51.2	11%	0.107	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-77.9	56.6	-179.7	67.6	-7.8	0	0	0	114.3	S170 K198 D199 K206 C272 S274	S170-N202 WeakPolarHBondContact OG-CA 3.47Å; K198-N202 VanDerWaalsContact O-CB 3.25Å; K198-N202 WeakPolarHBondContact O-CB 3.45Å; K198-N202 PolarHBondContact O-ND2 3.35Å; D199-N202 WeakPolarHBondContact CA-OD1 3.47Å; D199-N202 PolarHBondContact O-OD1 3.02Å; D199-N202 PolarHBondContact OD1-ND2 2.98Å; N202-K206 PolarHBondContact O-NZ 2.87Å; N202-K206 VanDerWaalsContact O-NZ 3.08Å; N202-K206 VanDerWaalsContact OD1-CD 3.24Å; N202-K206 WeakPolarHBondContact OD1-CD 3.25Å; N202-K206 PolarHBondContact OD1-NZ 3.34Å; N202-C272 VanDerWaalsContact CB-O 3.31Å; N202-C272 WeakPolarHBondContact CB-O 3.27Å; N202-S274 VanDerWaalsContact O-CB 3.32Å; N202-S274 WeakPolarHBondContact O-CB 3.4Å
203	G	98.3	Very high	96.9	Very high	8 Å²	8	49.3 Å²	49.3	8%	0.082	23%	0.23	C	C	.	.	S	Bend	trans	167.8	151.2	173.8	0	0	0	0	0	112.4	R169 C201 S205 K206 L207	R169-G203 CarbonylContact O-C 3.58Å; R169-G203 WeakPolarHBondContact O-CA 3.4Å; R169-G203 PolarHBondContact O-N 3.33Å; C201-G203 PolarHBondContact O-N 3.09Å; G203-S205 VanDerWaalsContact C-N 3.34Å; G203-S205 PolarHBondContact O-N 2.82Å; G203-K206 WeakPolarHBondContact O-CA 3.39Å; G203-K206 WeakPolarHBondContact O-CB 3.49Å; G203-K206 PolarHBondContact O-N 3.31Å; G203-L207 PolarHBondContact O-N 3.06Å
204	P	98.5	Very high	97.3	Very high	18 Å²	18	40.2 Å²	40.2	12%	0.117	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-170.2	21.7	-33.3	0	0	0	112.2	L167 K206 L207 C208	L167-P204 HydrophobicContact CD1-CB 4.13Å; L167-P204 HydrophobicContact CD2-CB 4.3Å; L167-P204 HydrophobicContact CG-CB 4.43Å; P204-K206 VanDerWaalsContact C-N 3.29Å; P204-L207 WeakPolarHBondContact O-CG 3.43Å; P204-C208 PolarHBondContact O-SG 3.19Å; P204-C208 VanDerWaalsContact O-SG 3.34Å
205	S	98.3	Very high	97.6	Very high	20 Å²	20	40.3 Å²	40.3	14%	0.14	19%	0.194	C	C	.	.	H	α-helix	trans	-79.3	-17.1	173.2	-53.6	0	0	0	0	113.5	Y152 L153 G203 Q209	Y152-S205 WeakPolarHBondContact CB-OG 3.42Å; L153-S205 WeakPolarHBondContact O-CA 3.46Å; L153-S205 VanDerWaalsContact O-CB 3.3Å; L153-S205 WeakPolarHBondContact O-CB 3.26Å; L153-S205 PolarHBondContact O-OG 3.16Å; G203-S205 VanDerWaalsContact C-N 3.34Å; G203-S205 PolarHBondContact O-N 2.82Å; S205-Q209 WeakPolarHBondContact O-CG 3.07Å; S205-Q209 PolarHBondContact O-N 2.98Å
206	K	98.4	Very high	97.8	Very high	75 Å²	75	43 Å²	43	33%	0.326	21%	0.214	S	C	.	.	H	α-helix	trans	-75.6	-46	179.6	-63.3	-177.2	-171	157.5	0	111.9	R184 N202 G203 P204 C208 Q209 A210	R184-K206 PolarHBondContact NH1-O 3.33Å; N202-K206 PolarHBondContact O-NZ 2.87Å; N202-K206 VanDerWaalsContact O-NZ 3.08Å; N202-K206 VanDerWaalsContact OD1-CD 3.24Å; N202-K206 WeakPolarHBondContact OD1-CD 3.25Å; N202-K206 PolarHBondContact OD1-NZ 3.34Å; G203-K206 WeakPolarHBondContact O-CA 3.39Å; G203-K206 WeakPolarHBondContact O-CB 3.49Å; G203-K206 PolarHBondContact O-N 3.31Å; P204-K206 VanDerWaalsContact C-N 3.29Å; K206-C208 VanDerWaalsContact C-N 3.33Å; K206-C208 PolarHBondContact O-N 2.93Å; K206-Q209 PolarHBondContact O-N 2.83Å; K206-A210 WeakPolarHBondContact O-CB 3.37Å; K206-A210 PolarHBondContact O-N 3.31Å
207	L	98.5	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-38.1	174.9	66.6	88.8	0	0	0	112	L168 R169 L171 C201 G203 P204 Q209 A210 L211	L168-L207 HydrophobicContact CB-CD2 4.28Å; R169-L207 VanDerWaalsContact C-CD2 3.45Å; L171-L207 HydrophobicContact CD1-CB 3.87Å; L171-L207 HydrophobicContact CG-CB 4Å; L171-L207 HydrophobicContact CG-CD2 4.11Å; C201-L207 HydrophobicContact CB-CB 4.11Å; G203-L207 PolarHBondContact O-N 3.06Å; P204-L207 WeakPolarHBondContact O-CG 3.43Å; L207-Q209 VanDerWaalsContact C-N 3.28Å; L207-Q209 PolarHBondContact O-N 2.88Å; L207-A210 PolarHBondContact O-N 2.84Å; L207-L211 WeakPolarHBondContact O-CB 3.36Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 2.9Å
208	C	98.6	Very high	98	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-38.4	176.5	-68.6	0	0	0	0	111.8	L153 P204 K206 N212 I213	L153-C208 HydrophobicContact CB-CB 4.18Å; P204-C208 PolarHBondContact O-SG 3.19Å; P204-C208 VanDerWaalsContact O-SG 3.34Å; K206-C208 VanDerWaalsContact C-N 3.33Å; K206-C208 PolarHBondContact O-N 2.93Å; C208-N212 WeakPolarHBondContact O-CA 3.34Å; C208-N212 PolarHBondContact O-N 3.5Å; C208-N212 VanDerWaalsContact O-N 3.16Å; C208-I213 HydrophobicContact CB-CB 4.25Å; C208-I213 PolarHBondContact O-N 3Å
209	Q	98.2	Very high	98.1	Very high	26 Å²	26	34.4 Å²	34.4	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-72.2	-47.1	175.9	-72.3	172.8	-11.1	0	0	111.7	Y152 L183 S205 K206 L207 L211 N212	Y152-Q209 VanDerWaalsContact CD1-NE2 3.33Å; L183-Q209 WeakPolarHBondContact CB-O 2.96Å; S205-Q209 WeakPolarHBondContact O-CG 3.07Å; S205-Q209 PolarHBondContact O-N 2.98Å; K206-Q209 PolarHBondContact O-N 2.83Å; L207-Q209 VanDerWaalsContact C-N 3.28Å; L207-Q209 PolarHBondContact O-N 2.88Å; Q209-L211 VanDerWaalsContact C-N 3.27Å; Q209-L211 PolarHBondContact O-N 3.22Å; Q209-N212 PolarHBondContact O-N 3.47Å
210	A	98.5	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-36.6	-179	0	0	0	0	0	112.3	L104 M180 L183 R184 C201 K206 L207	L104-A210 WeakPolarHBondContact CD1-O 3.48Å; M180-A210 HydrophobicContact CB-CB 4Å; M180-A210 HydrophobicContact CG-CB 4.12Å; M180-A210 WeakPolarHBondContact CG-O 3.49Å; M180-A210 HydrophobicContact SD-CB 4.45Å; L183-A210 VanDerWaalsContact CD1-O 3.25Å; L183-A210 WeakPolarHBondContact CD1-O 3.49Å; R184-A210 HydrophobicContact CG-CB 4.18Å; C201-A210 VanDerWaalsContact SG-CB 3.54Å; K206-A210 WeakPolarHBondContact O-CB 3.37Å; K206-A210 PolarHBondContact O-N 3.31Å; L207-A210 PolarHBondContact O-N 2.84Å
211	L	98.5	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.1	176.5	-62.6	-177.5	0	0	0	113.8	L94 R96 L104 L171 M180 L207 Q209 I213	L94-L211 HydrophobicContact CD2-CD1 3.51Å; L94-L211 HydrophobicContact CG-CD1 4.07Å; R96-L211 HydrophobicContact CB-CB 4.39Å; R96-L211 HydrophobicContact CB-CD2 4.48Å; R96-L211 WeakPolarHBondContact CD-O 3.24Å; R96-L211 VanDerWaalsContact CG-O 3.26Å; R96-L211 WeakPolarHBondContact CG-O 3.43Å; L104-L211 HydrophobicContact CB-CD2 3.57Å; L104-L211 HydrophobicContact CD1-CD2 4.26Å; L171-L211 HydrophobicContact CD1-CD1 3.52Å; L171-L211 HydrophobicContact CD1-CG 4.3Å; M180-L211 HydrophobicContact CE-CD2 3.78Å; L207-L211 WeakPolarHBondContact O-CB 3.36Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 2.9Å; Q209-L211 VanDerWaalsContact C-N 3.27Å; Q209-L211 PolarHBondContact O-N 3.22Å; L211-I213 HydrophobicContact CB-CD1 4.24Å; L211-I213 HydrophobicContact CB-CG1 3.9Å; L211-I213 PolarHBondContact O-N 3.36Å
212	N	97.7	Very high	98.2	Very high	80 Å²	80	36.7 Å²	36.7	43%	0.428	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	57.6	-173.4	-167.3	35.8	0	0	0	112.7	L183 C208 Q209 P214	L183-N212 HydrophobicContact CD1-CB 3.85Å; L183-N212 HydrophobicContact CD2-CB 4.05Å; C208-N212 WeakPolarHBondContact O-CA 3.34Å; C208-N212 PolarHBondContact O-N 3.5Å; C208-N212 VanDerWaalsContact O-N 3.16Å; Q209-N212 PolarHBondContact O-N 3.47Å; N212-P214 WeakPolarHBondContact O-CD 3.45Å
213	I	98.1	Very high	98.2	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.181	C	C	.	.			trans	-87.1	104.4	174.5	-58.7	-67.1	0	0	0	108.2	V145 L153 M155 C208 L211 F217 V228	V145-I213 HydrophobicContact CG2-CG2 3.97Å; L153-I213 WeakPolarHBondContact CD1-O 3.4Å; M155-I213 HydrophobicContact SD-CD1 4.43Å; M155-I213 HydrophobicContact SD-CG1 4.43Å; M155-I213 HydrophobicContact SD-CG2 4.33Å; C208-I213 HydrophobicContact CB-CB 4.25Å; C208-I213 PolarHBondContact O-N 3Å; L211-I213 HydrophobicContact CB-CD1 4.24Å; L211-I213 HydrophobicContact CB-CG1 3.9Å; L211-I213 PolarHBondContact O-N 3.36Å; I213-F217 HydrophobicContact CD1-CD1 4.01Å; I213-F217 HydrophobicContact CD1-CE1 4.03Å; I213-F217 HydrophobicContact CG2-CB 4.24Å; I213-F217 HydrophobicContact CG2-CD1 4.23Å; I213-F217 HydrophobicContact CG2-CG 4.38Å; I213-V228 HydrophobicContact CD1-CG2 4.45Å
214	P	96.5	Very high	98.1	Very high	41 Å²	41	39.5 Å²	39.5	27%	0.266	20%	0.2	S	C	.	.			trans	-82.4	168.8	177.8	36.3	-38.9	0	0	0	111.7	N212 C216 F217	N212-P214 WeakPolarHBondContact O-CD 3.45Å; P214-C216 WeakPolarHBondContact CG-SG 3.16Å; P214-C216 PolarHBondContact O-N 3.39Å; P214-F217 HydrophobicContact CG-CD2 3.45Å; P214-F217 VanDerWaalsContact CG-CD2 3.45Å; P214-F217 HydrophobicContact CG-CE2 3.61Å; P214-F217 HydrophobicContact CG-CG 4.32Å; P214-F217 WeakPolarHBondContact O-CB 3.32Å; P214-F217 PolarHBondContact O-N 2.83Å
215	R	96.9	Very high	98.1	Very high	161 Å²	161	39.6 Å²	39.6	61%	0.608	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-61.3	-27.5	176.3	-173.5	174.5	-179.9	-158.8	-3.3	113.5	F217 D218	R215-F217 PolarHBondContact O-N 2.76Å; R215-D218 VanDerWaalsContact O-CB 3.26Å; R215-D218 WeakPolarHBondContact O-CB 3.48Å; R215-D218 PolarHBondContact O-N 2.81Å
216	C	97.4	Very high	98.1	Very high	82 Å²	82	42.9 Å²	42.9	55%	0.554	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-70.2	0.7	179.4	63.6	0	0	0	0	114.2	P214 D218 R220	P214-C216 WeakPolarHBondContact CG-SG 3.16Å; P214-C216 PolarHBondContact O-N 3.39Å; C216-D218 VanDerWaalsContact C-N 3.33Å; C216-R220 PolarHBondContact O-NE 2.93Å
217	F	98.4	Very high	98.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-84.2	-11.7	169.2	-79.9	-139.3	0	0	0	112.1	I143 V145 I213 P214 R215 R219 R220 E227 V228	I143-F217 WeakPolarHBondContact CB-O 3.46Å; I143-F217 WeakPolarHBondContact CG2-O 3.49Å; V145-F217 HydrophobicContact CG2-CB 4.42Å; I213-F217 HydrophobicContact CD1-CD1 4.01Å; I213-F217 HydrophobicContact CD1-CE1 4.03Å; I213-F217 HydrophobicContact CG2-CB 4.24Å; I213-F217 HydrophobicContact CG2-CD1 4.23Å; I213-F217 HydrophobicContact CG2-CG 4.38Å; P214-F217 HydrophobicContact CG-CD2 3.45Å; P214-F217 VanDerWaalsContact CG-CD2 3.45Å; P214-F217 HydrophobicContact CG-CE2 3.61Å; P214-F217 HydrophobicContact CG-CG 4.32Å; P214-F217 WeakPolarHBondContact O-CB 3.32Å; P214-F217 PolarHBondContact O-N 2.83Å; R215-F217 PolarHBondContact O-N 2.76Å; F217-R219 PolarHBondContact O-N 3.08Å; F217-R220 WeakPolarHBondContact O-CB 3.18Å; F217-R220 WeakPolarHBondContact O-CG 3.17Å; F217-R220 PolarHBondContact O-N 2.85Å; F217-E227 HydrophobicContact CE1-CB 4.35Å; F217-E227 HydrophobicContact CZ-CB 3.88Å; F217-V228 HydrophobicContact CD1-CB 4.25Å; F217-V228 HydrophobicContact CD1-CG1 3.62Å; F217-V228 HydrophobicContact CE1-CB 3.81Å; F217-V228 HydrophobicContact CE1-CG1 3.55Å
218	D	98.8	Very high	98.1	Very high	33 Å²	33	41.8 Å²	41.8	18%	0.176	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.8	172.3	-168.5	47.4	0	0	0	110.8	Y144 V145 R215 C216 R220	Y144-D218 WeakPolarHBondContact CA-OD1 3.28Å; Y144-D218 WeakPolarHBondContact CD2-OD1 3.39Å; V145-D218 HydrophobicContact CB-CB 4.26Å; V145-D218 PolarHBondContact N-OD1 3.24Å; R215-D218 VanDerWaalsContact O-CB 3.26Å; R215-D218 WeakPolarHBondContact O-CB 3.48Å; R215-D218 PolarHBondContact O-N 2.81Å; C216-D218 VanDerWaalsContact C-N 3.33Å; D218-R220 PolarHBondContact O-N 2.64Å
219	R	98.7	Very high	98.1	Very high	102 Å²	102	42.2 Å²	42.2	39%	0.385	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	7.2	-177.9	-50.7	175.6	-169	178.2	-0.5	116	E131 A135 M138 I143 F217	E131-R219 PolarHBondContact O-NH2 2.94Å; A135-R219 HydrophobicContact CB-CG 4.05Å; M138-R219 HydrophobicContact CE-CB 4.23Å; M138-R219 HydrophobicContact SD-CB 4Å; M138-R219 HydrophobicContact SD-CG 3.94Å; I143-R219 WeakPolarHBondContact O-CA 3.34Å; I143-R219 PolarHBondContact O-N 2.55Å; F217-R219 PolarHBondContact O-N 3.08Å
220	R	98.7	Very high	98.1	Very high	67 Å²	67	41 Å²	41	25%	0.253	21%	0.21	S	C	.	.			trans	-75.6	159.4	170.2	-59.7	-163	-167.9	-176	-1.9	111.1	T142 I143 C216 F217 D218 D225 E227	T142-R220 WeakPolarHBondContact CA-O 3.24Å; I143-R220 WeakPolarHBondContact CB-O 3.47Å; I143-R220 HydrophobicContact CD1-CB 4.29Å; I143-R220 PolarHBondContact N-O 3.4Å; C216-R220 PolarHBondContact O-NE 2.93Å; F217-R220 WeakPolarHBondContact O-CB 3.18Å; F217-R220 WeakPolarHBondContact O-CG 3.17Å; F217-R220 PolarHBondContact O-N 2.85Å; D218-R220 PolarHBondContact O-N 2.64Å; R220-D225 WeakPolarHBondContact CD-OD2 3.39Å; R220-D225 IonicContact NE-OD2 3.74Å; R220-D225 IonicContact NH1-OD2 3.4Å; R220-D225 PolarHBondContact NH1-OD2 3.12Å; R220-E227 IonicContact CZ-OE2 3.59Å; R220-E227 IonicContact NH1-OE2 3.61Å; R220-E227 PolarHBondContact NH1-OE2 3.1Å; R220-E227 IonicContact NH2-OE2 2.81Å
221	D	98.6	Very high	98	Very high	28 Å²	28	41.6 Å²	41.6	15%	0.15	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-100.1	111.9	-176.7	174.4	16.2	0	0	0	111.4	K139 A223 S224 D225	K139-D221 WeakPolarHBondContact CE-OD2 3.33Å; K139-D221 VanDerWaalsContact NZ-CG 3.33Å; K139-D221 IonicContact NZ-OD1 2.63Å; K139-D221 IonicContact NZ-OD2 2.67Å; K139-D221 PolarHBondContact NZ-OD2 2.86Å; D221-A223 PolarHBondContact O-N 2.74Å; D221-A223 WeakPolarHBondContact OD1-CB 3.4Å; D221-A223 PolarHBondContact OD1-N 3.14Å; D221-S224 WeakPolarHBondContact CB-OG 3.44Å; D221-S224 VanDerWaalsContact CG-OG 3.27Å; D221-S224 PolarHBondContact O-N 3.37Å; D221-S224 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact OD2-OG 2.89Å; D221-D225 WeakPolarHBondContact O-CB 3.49Å; D221-D225 PolarHBondContact O-N 2.68Å
222	L	98.3	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21	-176.3	-166.3	60.2	0	0	0	113.4	F78 L94 G141 I143 M155 V157 V228 L230	F78-L222 HydrophobicContact CE1-CB 4.33Å; F78-L222 HydrophobicContact CE1-CD2 3.77Å; F78-L222 HydrophobicContact CE1-CG 4.24Å; F78-L222 HydrophobicContact CZ-CB 4.04Å; F78-L222 HydrophobicContact CZ-CD2 3.97Å; F78-L222 HydrophobicContact CZ-CG 3.94Å; L94-L222 HydrophobicContact CD1-CD1 4.33Å; G141-L222 VanDerWaalsContact O-CB 3.25Å; G141-L222 WeakPolarHBondContact O-CB 3.44Å; G141-L222 PolarHBondContact O-N 2.71Å; I143-L222 HydrophobicContact CD1-CB 4.2Å; I143-L222 HydrophobicContact CD1-CD1 3.87Å; I143-L222 HydrophobicContact CG1-CB 3.93Å; I143-L222 HydrophobicContact CG1-CD1 4.29Å; M155-L222 HydrophobicContact CE-CD1 4.25Å; V157-L222 HydrophobicContact CG1-CD2 4.17Å; V157-L222 HydrophobicContact CG2-CD2 3.7Å; L222-V228 HydrophobicContact CD1-CB 4.4Å; L222-V228 HydrophobicContact CD1-CG1 4.14Å; L222-V228 HydrophobicContact CD1-CG2 3.75Å; L222-L230 HydrophobicContact CD2-CD1 3.67Å; L222-L230 HydrophobicContact CD2-CG 3.94Å; L222-L230 HydrophobicContact CG-CD1 4.49Å; L222-L230 HydrophobicContact CG-CG 4.41Å
223	A	97.9	Very high	97.6	Very high	16 Å²	16	41.4 Å²	41.4	13%	0.132	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.2	177.4	0	0	0	0	0	112.9	R72 F78 D221	R72-A223 WeakPolarHBondContact CD-O 3.06Å; F78-A223 HydrophobicContact CD2-CB 4.06Å; F78-A223 HydrophobicContact CE2-CB 3.77Å; D221-A223 PolarHBondContact O-N 2.74Å; D221-A223 WeakPolarHBondContact OD1-CB 3.4Å; D221-A223 PolarHBondContact OD1-N 3.14Å
224	S	97.6	Very high	97	Very high	71 Å²	71	47.9 Å²	47.9	50%	0.497	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-15.8	-172.4	62.8	0	0	0	0	114.7	R72 D221	R72-S224 VanDerWaalsContact NH1-C 3.27Å; R72-S224 PolarHBondContact NH1-O 3.05Å; D221-S224 WeakPolarHBondContact CB-OG 3.44Å; D221-S224 VanDerWaalsContact CG-OG 3.27Å; D221-S224 PolarHBondContact O-N 3.37Å; D221-S224 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact OD2-OG 2.89Å
225	D	98.3	Very high	96.5	Very high	20 Å²	20	53 Å²	53	11%	0.107	27%	0.268	C	S	.	.			trans	-57.8	140	-178.9	-175.2	-74.3	0	0	0	111.8	R72 R220 D221 E227 V228	R72-D225 PolarHBondContact NH1-O 3.47Å; R72-D225 PolarHBondContact NH2-O 3.23Å; R220-D225 WeakPolarHBondContact CD-OD2 3.39Å; R220-D225 IonicContact NE-OD2 3.74Å; R220-D225 IonicContact NH1-OD2 3.4Å; R220-D225 PolarHBondContact NH1-OD2 3.12Å; D221-D225 WeakPolarHBondContact O-CB 3.49Å; D221-D225 PolarHBondContact O-N 2.68Å; D225-E227 VanDerWaalsContact OD1-CA 3.31Å; D225-E227 WeakPolarHBondContact OD1-CA 3.27Å; D225-E227 WeakPolarHBondContact OD1-CB 3.5Å; D225-E227 PolarHBondContact OD1-N 3.05Å; D225-V228 HydrophobicContact CB-CG1 4.25Å; D225-V228 PolarHBondContact OD1-N 3.22Å
226	T	97.3	Very high	96	Very high	88 Å²	88	48 Å²	48	54%	0.54	26%	0.255	S	S	.	.	S	Bend	trans	-88.6	-15.4	-173.5	65.1	0	0	0	0	113	R97	R97-T226 PolarHBondContact NE-O 2.9Å; R97-T226 PolarHBondContact NH2-O 2.85Å
227	E	98.3	Very high	95.6	Very high	52 Å²	52	49 Å²	49	24%	0.243	26%	0.263	C	S	.	.	S	Bend	trans	-102.8	-24.3	-175.3	-73.6	-161	96.5	0	0	113.2	R96 R97 F217 R220 D225	R96-E227 CarbonylContact C-O 3.59Å; R96-E227 WeakPolarHBondContact CA-O 3.49Å; R96-E227 IonicContact CZ-OE1 2.83Å; R96-E227 PolarHBondContact NH1-O 3.14Å; R96-E227 IonicContact NH1-OE1 2.64Å; R96-E227 PolarHBondContact NH1-OE1 2.82Å; R96-E227 IonicContact NH2-OE1 3.33Å; R96-E227 PolarHBondContact NH2-OE1 3.34Å; R97-E227 PolarHBondContact N-O 3.08Å; F217-E227 HydrophobicContact CE1-CB 4.35Å; F217-E227 HydrophobicContact CZ-CB 3.88Å; R220-E227 IonicContact CZ-OE2 3.59Å; R220-E227 IonicContact NH1-OE2 3.61Å; R220-E227 PolarHBondContact NH1-OE2 3.1Å; R220-E227 IonicContact NH2-OE2 2.81Å; D225-E227 VanDerWaalsContact OD1-CA 3.31Å; D225-E227 WeakPolarHBondContact OD1-CA 3.27Å; D225-E227 WeakPolarHBondContact OD1-CB 3.5Å; D225-E227 PolarHBondContact OD1-N 3.05Å
228	V	98.6	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.3	177.3	61.2	0	0	0	0	111.9	L94 V95 I143 M155 I213 F217 L222 D225	L94-V228 HydrophobicContact CD1-CG2 3.72Å; V95-V228 VanDerWaalsContact O-CA 3.26Å; V95-V228 WeakPolarHBondContact O-CA 3.49Å; V95-V228 WeakPolarHBondContact O-CG2 3.29Å; I143-V228 HydrophobicContact CD1-CG1 3.59Å; M155-V228 HydrophobicContact CE-CG2 4.36Å; I213-V228 HydrophobicContact CD1-CG2 4.45Å; F217-V228 HydrophobicContact CD1-CB 4.25Å; F217-V228 HydrophobicContact CD1-CG1 3.62Å; F217-V228 HydrophobicContact CE1-CB 3.81Å; F217-V228 HydrophobicContact CE1-CG1 3.55Å; L222-V228 HydrophobicContact CD1-CB 4.4Å; L222-V228 HydrophobicContact CD1-CG1 4.14Å; L222-V228 HydrophobicContact CD1-CG2 3.75Å; D225-V228 HydrophobicContact CB-CG1 4.25Å; D225-V228 PolarHBondContact OD1-N 3.22Å
229	W	98.6	Very high	95	Very high	13 Å²	13	53.8 Å²	53.8	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	172.5	176.7	64.9	98.9	0	0	0	111.6	R72 V95 R97 E103 E231	R72-W229 HydrophobicContact CG-CB 4.12Å; R72-W229 HydrophobicContact CG-CG 4.34Å; R72-W229 VanDerWaalsContact CZ-CB 3.44Å; R72-W229 VanDerWaalsContact NE-CG 3.3Å; R72-W229 VanDerWaalsContact NH2-CB 3.32Å; R72-W229 VanDerWaalsContact NH2-CG 3.26Å; V95-W229 HydrophobicContact CB-CD2 3.91Å; V95-W229 HydrophobicContact CB-CE3 4.38Å; V95-W229 HydrophobicContact CB-CG 4.41Å; V95-W229 HydrophobicContact CB-CH2 4.22Å; V95-W229 HydrophobicContact CB-CZ2 3.74Å; V95-W229 HydrophobicContact CG1-CD2 4.28Å; V95-W229 HydrophobicContact CG1-CE3 4.47Å; V95-W229 HydrophobicContact CG1-CH2 3.51Å; V95-W229 HydrophobicContact CG1-CZ2 3.26Å; V95-W229 HydrophobicContact CG1-CZ3 4.12Å; V95-W229 HydrophobicContact CG2-CZ2 4.32Å; V95-W229 PolarHBondContact N-O 3.46Å; V95-W229 PolarHBondContact O-N 3.24Å; V95-W229 VanDerWaalsContact O-N 3.11Å; R97-W229 HydrophobicContact CB-CH2 3.82Å; R97-W229 HydrophobicContact CB-CZ3 3.67Å; E103-W229 WeakPolarHBondContact OE1-CH2 3.43Å; W229-E231 VanDerWaalsContact NE1-CG 3.34Å; W229-E231 PolarHBondContact NE1-OE1 3.21Å
230	L	98.4	Very high	94.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.4	171.6	-74.1	168.8	0	0	0	111.6	R72 L73 F78 F89 K92 V93 L94 I108 L222	R72-L230 CarbonylContact C-O 3.55Å; R72-L230 VanDerWaalsContact CA-O 3.26Å; R72-L230 WeakPolarHBondContact CA-O 3.48Å; L73-L230 HydrophobicContact CB-CB 4.36Å; L73-L230 HydrophobicContact CD1-CB 3.83Å; L73-L230 HydrophobicContact CG-CB 4.27Å; L73-L230 PolarHBondContact N-O 2.77Å; F78-L230 HydrophobicContact CE1-CD1 3.74Å; F78-L230 HydrophobicContact CZ-CD1 3.98Å; F89-L230 HydrophobicContact CD1-CD1 3.62Å; F89-L230 HydrophobicContact CE1-CD1 3.19Å; F89-L230 HydrophobicContact CZ-CD1 4.09Å; K92-L230 HydrophobicContact CB-CD2 4.33Å; V93-L230 CarbonylContact O-C 3.42Å; V93-L230 WeakPolarHBondContact O-CA 3.3Å; L94-L230 HydrophobicContact CB-CD2 3.93Å; L94-L230 HydrophobicContact CD1-CD2 3.94Å; L94-L230 HydrophobicContact CD1-CG 4.33Å; I108-L230 HydrophobicContact CD1-CD2 3.58Å; L222-L230 HydrophobicContact CD2-CD1 3.67Å; L222-L230 HydrophobicContact CD2-CG 3.94Å; L222-L230 HydrophobicContact CG-CD1 4.49Å; L222-L230 HydrophobicContact CG-CG 4.41Å
231	E	97.5	Very high	94.5	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.1	173	-60.1	-178.4	-179.2	0	0	112.8	R71 V93 V95 R105 W229	R71-E231 HydrophobicContact CB-CB 4.16Å; R71-E231 HydrophobicContact CB-CG 3.81Å; R71-E231 WeakPolarHBondContact O-CA 3.44Å; R71-E231 VanDerWaalsContact O-CB 3.27Å; R71-E231 WeakPolarHBondContact O-CB 3.48Å; V93-E231 HydrophobicContact CB-CB 4.44Å; V93-E231 PolarHBondContact N-O 3.01Å; V93-E231 PolarHBondContact O-N 2.88Å; V95-E231 HydrophobicContact CG2-CG 3.95Å; R105-E231 IonicContact CZ-OE1 3.78Å; R105-E231 IonicContact CZ-OE2 3.06Å; R105-E231 VanDerWaalsContact NH1-CD 3.34Å; R105-E231 IonicContact NH1-OE1 3.34Å; R105-E231 IonicContact NH1-OE2 2.65Å; R105-E231 PolarHBondContact NH1-OE2 3.29Å; R105-E231 IonicContact NH2-OE1 3.74Å; R105-E231 PolarHBondContact NH2-OE1 3.07Å; R105-E231 VanDerWaalsContact NH2-OE1 3.16Å; R105-E231 IonicContact NH2-OE2 3.61Å; W229-E231 VanDerWaalsContact NE1-CG 3.34Å; W229-E231 PolarHBondContact NE1-OE1 3.21Å
232	D	95.3	Very high	94.2	Very high	61 Å²	61	62.1 Å²	62.1	33%	0.326	35%	0.35	S	S	.	.			trans	-68.7	138.2	159.4	-84.9	-42.6	0	0	0	111	R71 L73 K92 Q234	R71-D232 PolarHBondContact O-N 2.93Å; R71-D232 VanDerWaalsContact O-N 3.13Å; L73-D232 WeakPolarHBondContact CD2-OD2 3.43Å; K92-D232 WeakPolarHBondContact CD-OD1 3.44Å; K92-D232 WeakPolarHBondContact CE-OD1 3.46Å; K92-D232 IonicContact NZ-OD1 3.33Å; K92-D232 PolarHBondContact NZ-OD1 3.35Å; D232-Q234 PolarHBondContact O-N 3.23Å
233	D	91.9	Very high	94.1	Very high	15 Å²	15	65.2 Å²	65.2	8%	0.08	37%	0.366	C	S	.	.			trans	-87.8	99	174.1	-163.3	-19.9	0	0	0	110.7	G91 V93 R107 N235 T236	G91-D233 WeakPolarHBondContact O-CB 3.26Å; V93-D233 HydrophobicContact CG2-CB 3.83Å; R107-D233 IonicContact CZ-OD2 3.7Å; R107-D233 IonicContact NE-OD2 3.5Å; R107-D233 PolarHBondContact NE-OD2 2.82Å; R107-D233 IonicContact NH2-OD2 2.91Å; R107-D233 PolarHBondContact NH2-OD2 3.13Å; D233-N235 PolarHBondContact O-N 2.85Å; D233-N235 WeakPolarHBondContact OD1-CB 3.34Å; D233-N235 PolarHBondContact OD1-N 3.05Å; D233-N235 PolarHBondContact OD1-ND2 2.82Å; D233-T236 PolarHBondContact O-N 2.91Å; D233-T236 PolarHBondContact OD2-OG1 2.82Å
234	Q	86	Confident	94	Very high	140 Å²	140	65.5 Å²	65.5	65%	0.654	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.1	-179.7	-59.7	-66.1	0.2	0	0	113.5	D232	D232-Q234 PolarHBondContact O-N 3.23Å
235	N	85.4	Confident	94.1	Very high	149 Å²	149	62.1 Å²	62.1	80%	0.797	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.3	-178.1	-56.6	-62.1	0	0	0	112.9	D233	D233-N235 PolarHBondContact O-N 2.85Å; D233-N235 WeakPolarHBondContact OD1-CB 3.34Å; D233-N235 PolarHBondContact OD1-N 3.05Å; D233-N235 PolarHBondContact OD1-ND2 2.82Å
236	T	86.4	Confident	94.1	Very high	55 Å²	55	63.3 Å²	63.3	34%	0.337	35%	0.351	S	S	.	.	S	Bend	trans	-139.1	142.5	-177.2	55.7	0	0	0	0	111.2	D233	D233-T236 PolarHBondContact O-N 2.91Å; D233-T236 PolarHBondContact OD2-OG1 2.82Å
237	S	88.4	Confident	94.1	Very high	105 Å²	105	59.1 Å²	59.1	73%	0.734	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63.2	143.6	169.5	-53.9	0	0	0	0	110.5
238	P	90.7	Very high	94.1	Very high	97 Å²	97	58.9 Å²	58.9	63%	0.63	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-53.4	141.1	172.6	-26.4	34.5	0	0	0	111.4	K240	P238-K240 PolarHBondContact O-N 2.81Å
239	P	93.7	Very high	94.1	Very high	38 Å²	38	59.3 Å²	59.3	25%	0.247	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.4	176.5	-24.1	33.6	0	0	0	111.5	L90 D243 I244 L267	L90-P239 HydrophobicContact CB-CG 4.43Å; L90-P239 WeakPolarHBondContact O-CG 3.15Å; P239-D243 HydrophobicContact CB-CB 4.43Å; P239-I244 HydrophobicContact CB-CD1 4.49Å; P239-I244 HydrophobicContact CB-CG1 4.31Å; P239-L267 HydrophobicContact CB-CD2 3.7Å; P239-L267 HydrophobicContact CG-CD2 3.65Å
240	K	94.1	Very high	94.1	Very high	123 Å²	123	60.4 Å²	60.4	54%	0.535	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-82	158.9	173.2	-62	177.6	-176.2	178.1	0	109.5	P238 Q242 D243	P238-K240 PolarHBondContact O-N 2.81Å; K240-Q242 HydrophobicContact CB-CG 3.98Å; K240-Q242 PolarHBondContact O-N 3.27Å; K240-Q242 VanDerWaalsContact O-N 3.08Å; K240-D243 WeakPolarHBondContact CB-OD2 3.2Å; K240-D243 PolarHBondContact N-OD2 3.03Å; K240-D243 WeakPolarHBondContact O-CB 3.33Å; K240-D243 PolarHBondContact O-N 3.21Å
241	P	92.8	Very high	94	Very high	116 Å²	116	62.5 Å²	62.5	75%	0.753	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-51.2	-36.9	177.7	-30	36.4	0	0	0	114.4	D243 I244	P241-D243 VanDerWaalsContact C-N 3.26Å; P241-D243 PolarHBondContact O-N 2.81Å; P241-I244 PolarHBondContact O-N 2.87Å
242	Q	92.7	Very high	93.9	Very high	133 Å²	133	62.3 Å²	62.3	62%	0.621	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.4	177.4	65.9	-160.6	38.8	0	0	114.7	K240 I244 R268	K240-Q242 HydrophobicContact CB-CG 3.98Å; K240-Q242 PolarHBondContact O-N 3.27Å; K240-Q242 VanDerWaalsContact O-N 3.08Å; Q242-I244 VanDerWaalsContact C-N 3.3Å; Q242-R268 PolarHBondContact O-NE 2.94Å; Q242-R268 PolarHBondContact O-NH2 2.94Å; Q242-R268 VanDerWaalsContact O-NH2 3.14Å
243	D	95.3	Very high	93.9	Very high	65 Å²	65	66.1 Å²	66.1	35%	0.348	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-81.8	-15.3	178.9	-52.8	-37.8	0	0	0	111.4	P239 K240 P241 R268	P239-D243 HydrophobicContact CB-CB 4.43Å; K240-D243 WeakPolarHBondContact CB-OD2 3.2Å; K240-D243 PolarHBondContact N-OD2 3.03Å; K240-D243 WeakPolarHBondContact O-CB 3.33Å; K240-D243 PolarHBondContact O-N 3.21Å; P241-D243 VanDerWaalsContact C-N 3.26Å; P241-D243 PolarHBondContact O-N 2.81Å; D243-R268 WeakPolarHBondContact O-CB 3.3Å; D243-R268 PolarHBondContact O-N 2.76Å
244	I	97.6	Very high	94.1	Very high	22 Å²	22	70.4 Å²	70.4	11%	0.113	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.7	-176.5	-57.7	173.3	0	0	0	110	K87 L90 P239 P241 Q242 F265	K87-I244 HydrophobicContact CB-CD1 4.38Å; L90-I244 HydrophobicContact CD1-CB 4.29Å; L90-I244 HydrophobicContact CD1-CD1 4.02Å; L90-I244 HydrophobicContact CD1-CG1 3.81Å; L90-I244 HydrophobicContact CD1-CG2 3.62Å; P239-I244 HydrophobicContact CB-CD1 4.49Å; P239-I244 HydrophobicContact CB-CG1 4.31Å; P241-I244 PolarHBondContact O-N 2.87Å; Q242-I244 VanDerWaalsContact C-N 3.3Å; I244-F265 HydrophobicContact CG2-CB 4.02Å; I244-F265 HydrophobicContact CG2-CD1 4.42Å
245	V	98.3	Very high	94.5	Very high	0 Å²	0	67 Å²	67	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.8	171.7	-174.9	0	0	0	0	109.1	F265 Y266 R268 A280 E281	V245-F265 VanDerWaalsContact O-CA 3.31Å; V245-F265 WeakPolarHBondContact O-CA 3.25Å; V245-Y266 HydrophobicContact CB-CD1 4.19Å; V245-Y266 HydrophobicContact CB-CD2 4.04Å; V245-Y266 HydrophobicContact CB-CE1 3.83Å; V245-Y266 HydrophobicContact CB-CE2 3.67Å; V245-Y266 HydrophobicContact CB-CG 4.3Å; V245-Y266 HydrophobicContact CG1-CE1 3.75Å; V245-Y266 HydrophobicContact CG1-CE2 4.11Å; V245-Y266 WeakPolarHBondContact CG1-OH 3.23Å; V245-Y266 HydrophobicContact CG2-CD2 4.22Å; V245-Y266 HydrophobicContact CG2-CE2 3.71Å; V245-Y266 PolarHBondContact N-O 3.27Å; V245-Y266 PolarHBondContact O-N 2.86Å; V245-Y266 VanDerWaalsContact O-N 3.12Å; V245-R268 HydrophobicContact CG2-CB 3.8Å; V245-R268 HydrophobicContact CG2-CG 4.14Å; V245-A280 HydrophobicContact CG1-CB 3.66Å; V245-E281 HydrophobicContact CG1-CG 4.19Å; V245-E281 HydrophobicContact CG2-CG 3.74Å
246	S	98.3	Very high	94.9	Very high	44 Å²	44	62 Å²	62	31%	0.308	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126	169.4	-56.2	0	0	0	0	109.7	R264 F265	S246-R264 CarbonylContact C-O 3.54Å; S246-R264 WeakPolarHBondContact CA-O 3.48Å; S246-F265 WeakPolarHBondContact OG-CD1 3.45Å; S246-F265 WeakPolarHBondContact OG-CE1 3.1Å
247	A	98.3	Very high	95.4	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	163	-172.8	0	0	0	0	0	112.4	P262 W263 R264 Y266 N277 A280	A247-P262 CarbonylContact O-C 3.58Å; A247-P262 VanDerWaalsContact O-C 3.26Å; A247-P262 VanDerWaalsContact O-CA 3.3Å; A247-P262 WeakPolarHBondContact O-CA 3.4Å; A247-W263 PolarHBondContact O-N 3.21Å; A247-R264 PolarHBondContact N-O 3.24Å; A247-R264 VanDerWaalsContact O-CB 3.26Å; A247-R264 WeakPolarHBondContact O-CB 3.4Å; A247-R264 PolarHBondContact O-N 2.76Å; A247-Y266 HydrophobicContact CB-CE1 3.96Å; A247-N277 HydrophobicContact CB-CB 4.08Å; A247-A280 HydrophobicContact CB-CB 3.8Å
248	P	98.3	Very high	95.8	Very high	47 Å²	47	62.3 Å²	62.3	31%	0.305	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-52.5	141.5	165.3	-29.7	37.8	0	0	0	112.3	A259 K261 R264	P248-A259 WeakPolarHBondContact CB-O 3.39Å; P248-K261 WeakPolarHBondContact CA-O 3.09Å; P248-R264 PolarHBondContact O-NE 2.89Å; P248-R264 PolarHBondContact O-NH2 3.37Å
249	R	98.6	Very high	96.1	Very high	8 Å²	8	58.4 Å²	58.4	3%	0.03	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-68.8	156.9	175.4	-60.9	175.3	-74.9	-179	1.5	111.2	E112 A113 Y114 D119 I252 W258 W263 R264	E112-R249 HydrophobicContact CB-CG 4.22Å; E112-R249 HydrophobicContact CG-CB 4.17Å; E112-R249 HydrophobicContact CG-CG 3.84Å; E112-R249 VanDerWaalsContact OE1-CA 3.32Å; E112-R249 WeakPolarHBondContact OE1-CA 3.42Å; E112-R249 WeakPolarHBondContact OE1-CB 3.27Å; A113-R249 WeakPolarHBondContact O-CD 3.46Å; A113-R249 PolarHBondContact O-NH1 2.97Å; Y114-R249 VanDerWaalsContact CD1-NH1 3.31Å; D119-R249 IonicContact OD1-CZ 3.58Å; D119-R249 IonicContact OD1-NH1 3.91Å; D119-R249 PolarHBondContact OD1-NH1 3.18Å; D119-R249 IonicContact OD1-NH2 2.86Å; D119-R249 PolarHBondContact OD1-NH2 3.32Å; D119-R249 IonicContact OD2-CZ 3.58Å; D119-R249 IonicContact OD2-NH1 2.67Å; D119-R249 PolarHBondContact OD2-NH1 2.87Å; D119-R249 IonicContact OD2-NH2 3.59Å; R249-I252 HydrophobicContact CB-CD1 3.66Å; R249-I252 HydrophobicContact CB-CG1 3.9Å; R249-I252 HydrophobicContact CG-CD1 4.38Å; R249-I252 VanDerWaalsContact NE-CD1 3.29Å; R249-W258 PolarHBondContact NH2-O 3Å; R249-W263 HydrophobicContact CG-CB 4.26Å; R249-R264 HydrophobicContact CG-CB 4.15Å
250	V	98.1	Very high	96.2	Very high	37 Å²	37	62.9 Å²	62.9	22%	0.224	35%	0.35	C	S	.	.	S	Bend	trans	-98.5	134.1	-173.3	176.5	0	0	0	0	110.8	E112 V275	E112-V250 PolarHBondContact OE1-N 3.04Å; V250-V275 HydrophobicContact CG1-CG2 4.28Å; V250-V275 HydrophobicContact CG2-CB 4.09Å; V250-V275 HydrophobicContact CG2-CG2 4.18Å
251	G	96.3	Very high	96.4	Very high	44 Å²	44	60.9 Å²	60.9	45%	0.454	34%	0.341	S	S	.	.	S	Bend	trans	79.4	20.9	172.7	0	0	0	0	0	114.1	E253	G251-E253 VanDerWaalsContact C-OE2 3.22Å; G251-E253 WeakPolarHBondContact CA-OE2 3.32Å; G251-E253 PolarHBondContact N-OE1 2.81Å; G251-E253 VanDerWaalsContact N-OE1 3.15Å
252	I	96.4	Very high	96.6	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.046	31%	0.314	C	S	.	.			trans	-123.2	19.9	177.8	67	156.8	0	0	0	112.8	A121 R249 S254 H255 A259	A121-I252 HydrophobicContact CB-CB 4.15Å; A121-I252 HydrophobicContact CB-CD1 3.59Å; A121-I252 HydrophobicContact CB-CG2 4.15Å; R249-I252 HydrophobicContact CB-CD1 3.66Å; R249-I252 HydrophobicContact CB-CG1 3.9Å; R249-I252 HydrophobicContact CG-CD1 4.38Å; R249-I252 VanDerWaalsContact NE-CD1 3.29Å; I252-S254 PolarHBondContact O-N 2.6Å; I252-H255 WeakPolarHBondContact O-CB 3.46Å; I252-H255 PolarHBondContact O-N 3.32Å; I252-H255 PolarHBondContact O-ND1 3.21Å; I252-A259 HydrophobicContact CD1-CB 4.46Å; I252-A259 HydrophobicContact CG1-CB 4.31Å; I252-A259 VanDerWaalsContact O-CB 3.27Å; I252-A259 WeakPolarHBondContact O-CB 3.45Å
253	E	95.4	Very high	96.9	Very high	140 Å²	140	51.9 Å²	51.9	65%	0.654	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.1	-27	-172.4	-61.6	76.8	-168.2	0	0	113	G251 H255	G251-E253 VanDerWaalsContact C-OE2 3.22Å; G251-E253 WeakPolarHBondContact CA-OE2 3.32Å; G251-E253 PolarHBondContact N-OE1 2.81Å; G251-E253 VanDerWaalsContact N-OE1 3.15Å; E253-H255 VanDerWaalsContact C-N 3.25Å; E253-H255 PolarHBondContact O-N 3.27Å
254	S	94.8	Very high	97.1	Very high	106 Å²	106	49 Å²	49	74%	0.741	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-73.8	-3.4	176.9	56.6	0	0	0	0	115.4	I252	I252-S254 PolarHBondContact O-N 2.6Å
255	H	94.6	Very high	97.1	Very high	68 Å²	68	48.1 Å²	48.1	32%	0.315	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-98.2	22.6	-172.6	-59.9	81.8	0	0	0	114.3	K120 A121 I252 E253 E257 W258	K120-H255 PolarHBondContact O-CD2 3.14Å; A121-H255 HydrophobicContact CB-CB 4.11Å; I252-H255 WeakPolarHBondContact O-CB 3.46Å; I252-H255 PolarHBondContact O-N 3.32Å; I252-H255 PolarHBondContact O-ND1 3.21Å; E253-H255 VanDerWaalsContact C-N 3.25Å; E253-H255 PolarHBondContact O-N 3.27Å; H255-E257 PolarHBondContact O-N 3.42Å; H255-W258 HydrophobicContact CB-CB 4.33Å; H255-W258 WeakPolarHBondContact O-CB 3.3Å; H255-W258 PolarHBondContact O-N 3.14Å
256	G	94.6	Very high	97.1	Very high	45 Å²	45	48.2 Å²	48.2	46%	0.464	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-131.4	172.6	0	0	0	0	0	113	W258 A259	G256-W258 PolarHBondContact O-N 2.92Å; G256-A259 VanDerWaalsContact O-CB 3.24Å; G256-A259 WeakPolarHBondContact O-CB 3.47Å; G256-A259 PolarHBondContact O-N 2.82Å
257	E	95.8	Very high	97.1	Very high	122 Å²	122	47.1 Å²	47.1	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-59.5	-29.5	-178.8	-64.7	-55.2	122.3	0	0	113.4	H255 A259 K260	H255-E257 PolarHBondContact O-N 3.42Å; E257-A259 PolarHBondContact O-N 2.93Å; E257-K260 PolarHBondContact O-N 3.17Å; E257-K260 VanDerWaalsContact O-N 3.11Å; E257-K260 IonicContact OE1-NZ 2.75Å; E257-K260 PolarHBondContact OE1-NZ 2.96Å; E257-K260 IonicContact OE2-NZ 3.61Å
258	W	96.9	Very high	97.1	Very high	44 Å²	44	50 Å²	50	17%	0.167	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-23.2	177.1	-59.4	91.8	0	0	0	113.2	E118 D119 K120 R249 H255 G256 K260 W263	E118-W258 VanDerWaalsContact C-CZ2 3.5Å; E118-W258 HydrophobicContact CB-CH2 3.38Å; E118-W258 HydrophobicContact CB-CZ2 3.76Å; E118-W258 HydrophobicContact CB-CZ3 4.38Å; E118-W258 WeakPolarHBondContact O-CH2 3.12Å; E118-W258 WeakPolarHBondContact O-CZ2 3.45Å; D119-W258 VanDerWaalsContact CA-CE3 3.43Å; D119-W258 HydrophobicContact CB-CE3 3.94Å; D119-W258 HydrophobicContact CB-CZ3 3.84Å; K120-W258 HydrophobicContact CB-CG 4.01Å; K120-W258 HydrophobicContact CG-CG 4.44Å; R249-W258 PolarHBondContact NH2-O 3Å; H255-W258 HydrophobicContact CB-CB 4.33Å; H255-W258 WeakPolarHBondContact O-CB 3.3Å; H255-W258 PolarHBondContact O-N 3.14Å; G256-W258 PolarHBondContact O-N 2.92Å; W258-K260 VanDerWaalsContact C-N 3.3Å; W258-W263 AromaticContact CE3-CH2 3.66Å; W258-W263 HydrophobicContact CE3-CH2 3.66Å; W258-W263 AromaticContact CE3-CZ3 3.51Å; W258-W263 HydrophobicContact CE3-CZ3 3.51Å; W258-W263 HydrophobicContact CH2-CH2 4.48Å; W258-W263 AromaticContact CZ3-CH2 3.36Å; W258-W263 HydrophobicContact CZ3-CH2 3.36Å; W258-W263 AromaticContact CZ3-CZ3 3.57Å; W258-W263 HydrophobicContact CZ3-CZ3 3.57Å
259	A	96.4	Very high	97	Very high	15 Å²	15	50.8 Å²	50.8	12%	0.124	29%	0.288	C	S	.	.	H	α-helix	trans	-71.7	-26.9	174.2	0	0	0	0	0	112.2	P248 I252 G256 E257	P248-A259 WeakPolarHBondContact CB-O 3.39Å; I252-A259 HydrophobicContact CD1-CB 4.46Å; I252-A259 HydrophobicContact CG1-CB 4.31Å; I252-A259 VanDerWaalsContact O-CB 3.27Å; I252-A259 WeakPolarHBondContact O-CB 3.45Å; G256-A259 VanDerWaalsContact O-CB 3.24Å; G256-A259 WeakPolarHBondContact O-CB 3.47Å; G256-A259 PolarHBondContact O-N 2.82Å; E257-A259 PolarHBondContact O-N 2.93Å
260	K	96.9	Very high	96.9	Very high	132 Å²	132	51.9 Å²	51.9	57%	0.574	29%	0.293	S	S	*	.	H	α-helix	trans	-87.4	-16.5	-178	-58.8	174.5	-173.4	163.5	0	113.2	E257 W258	E257-K260 PolarHBondContact O-N 3.17Å; E257-K260 VanDerWaalsContact O-N 3.11Å; E257-K260 IonicContact OE1-NZ 2.75Å; E257-K260 PolarHBondContact OE1-NZ 2.96Å; E257-K260 IonicContact OE2-NZ 3.61Å; W258-K260 VanDerWaalsContact C-N 3.3Å
261	K	97.7	Very high	96.9	Very high	80 Å²	80	54.5 Å²	54.5	35%	0.348	31%	0.312	S	S	.	.	S	Bend	trans	-59.6	135	-177.9	-68.5	-67.9	-173.1	179.3	0	111.2	P248 W263	P248-K261 WeakPolarHBondContact CA-O 3.09Å; K261-W263 HydrophobicContact CB-CD2 3.67Å; K261-W263 HydrophobicContact CB-CE3 3.92Å; K261-W263 HydrophobicContact CB-CG 4.09Å; K261-W263 HydrophobicContact CB-CH2 4.26Å; K261-W263 HydrophobicContact CB-CZ2 4.09Å; K261-W263 HydrophobicContact CB-CZ3 4.21Å; K261-W263 HydrophobicContact CD-CH2 4.15Å; K261-W263 HydrophobicContact CD-CZ2 3.82Å; K261-W263 HydrophobicContact CG-CD2 4.34Å; K261-W263 HydrophobicContact CG-CE3 4.34Å; K261-W263 HydrophobicContact CG-CH2 3.86Å; K261-W263 HydrophobicContact CG-CZ2 3.89Å; K261-W263 HydrophobicContact CG-CZ3 4.12Å; K261-W263 PolarHBondContact O-N 2.57Å
262	P	97.7	Very high	97	Very high	29 Å²	29	52.8 Å²	52.8	19%	0.188	29%	0.292	C	S	.	.			trans	-80.9	52.8	-175.3	35.6	-37.6	0	0	0	112.3	A247 F265	A247-P262 CarbonylContact O-C 3.58Å; A247-P262 VanDerWaalsContact O-C 3.26Å; A247-P262 VanDerWaalsContact O-CA 3.3Å; A247-P262 WeakPolarHBondContact O-CA 3.4Å; P262-F265 WeakPolarHBondContact O-CE1 3.41Å
263	W	98.4	Very high	97.1	Very high	32 Å²	32	52.9 Å²	52.9	12%	0.121	29%	0.293	C	S	.	.			trans	-101.1	17.4	-173.5	-63.3	-18.2	0	0	0	114	E112 A113 L115 D119 A247 R249 W258 K261	E112-W263 CarbonylContact C-O 2.79Å; E112-W263 WeakPolarHBondContact CA-O 3.43Å; A113-W263 HydrophobicContact CB-CB 4.29Å; A113-W263 PolarHBondContact N-O 3.37Å; L115-W263 HydrophobicContact CD1-CD2 4.12Å; L115-W263 HydrophobicContact CD1-CE3 4.02Å; L115-W263 HydrophobicContact CD1-CH2 3.45Å; L115-W263 VanDerWaalsContact CD1-CH2 3.45Å; L115-W263 HydrophobicContact CD1-CZ2 3.51Å; L115-W263 HydrophobicContact CD1-CZ3 3.69Å; L115-W263 HydrophobicContact CG-CE3 4.48Å; L115-W263 HydrophobicContact CG-CZ3 4.37Å; D119-W263 HydrophobicContact CB-CZ3 4.26Å; A247-W263 PolarHBondContact O-N 3.21Å; R249-W263 HydrophobicContact CG-CB 4.26Å; W258-W263 AromaticContact CE3-CH2 3.66Å; W258-W263 HydrophobicContact CE3-CH2 3.66Å; W258-W263 AromaticContact CE3-CZ3 3.51Å; W258-W263 HydrophobicContact CE3-CZ3 3.51Å; W258-W263 HydrophobicContact CH2-CH2 4.48Å; W258-W263 AromaticContact CZ3-CH2 3.36Å; W258-W263 HydrophobicContact CZ3-CH2 3.36Å; W258-W263 AromaticContact CZ3-CZ3 3.57Å; W258-W263 HydrophobicContact CZ3-CZ3 3.57Å; K261-W263 HydrophobicContact CB-CD2 3.67Å; K261-W263 HydrophobicContact CB-CE3 3.92Å; K261-W263 HydrophobicContact CB-CG 4.09Å; K261-W263 HydrophobicContact CB-CH2 4.26Å; K261-W263 HydrophobicContact CB-CZ2 4.09Å; K261-W263 HydrophobicContact CB-CZ3 4.21Å; K261-W263 HydrophobicContact CD-CH2 4.15Å; K261-W263 HydrophobicContact CD-CZ2 3.82Å; K261-W263 HydrophobicContact CG-CD2 4.34Å; K261-W263 HydrophobicContact CG-CE3 4.34Å; K261-W263 HydrophobicContact CG-CH2 3.86Å; K261-W263 HydrophobicContact CG-CZ2 3.89Å; K261-W263 HydrophobicContact CG-CZ3 4.12Å; K261-W263 PolarHBondContact O-N 2.57Å
264	R	98.8	Very high	97.2	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.019	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	163.9	-174.3	167.7	62.2	95.7	0.7	109.4	E110 T111 E112 S246 A247 P248 R249 V275	E110-R264 HydrophobicContact CG-CG 4.43Å; E110-R264 WeakPolarHBondContact OE1-CD 3.26Å; E110-R264 IonicContact OE1-CZ 2.65Å; E110-R264 IonicContact OE1-NH1 2.8Å; E110-R264 PolarHBondContact OE1-NH1 3.18Å; T111-R264 WeakPolarHBondContact O-CA 3.4Å; T111-R264 WeakPolarHBondContact O-CG 3.42Å; E112-R264 HydrophobicContact CG-CB 3.74Å; E112-R264 HydrophobicContact CG-CG 3.6Å; E112-R264 VanDerWaalsContact OE1-CD 3.27Å; E112-R264 WeakPolarHBondContact OE1-CD 3.41Å; S246-R264 CarbonylContact C-O 3.54Å; S246-R264 WeakPolarHBondContact CA-O 3.48Å; A247-R264 PolarHBondContact N-O 3.24Å; A247-R264 VanDerWaalsContact O-CB 3.26Å; A247-R264 WeakPolarHBondContact O-CB 3.4Å; A247-R264 PolarHBondContact O-N 2.76Å; P248-R264 PolarHBondContact O-NE 2.89Å; P248-R264 PolarHBondContact O-NH2 3.37Å; R249-R264 HydrophobicContact CG-CB 4.15Å; R264-V275 PolarHBondContact NH1-O 2.7Å
265	F	98.8	Very high	97.4	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.4	-177.7	-48.3	-74.9	0	0	0	109.7	I83 A86 K87 L90 E110 T111 A113 I244 V245 S246 P262	I83-F265 HydrophobicContact CB-CZ 4.49Å; I83-F265 HydrophobicContact CG1-CZ 4.39Å; I83-F265 HydrophobicContact CG2-CE2 4.33Å; I83-F265 HydrophobicContact CG2-CZ 3.76Å; A86-F265 HydrophobicContact CB-CD2 3.55Å; A86-F265 HydrophobicContact CB-CE2 3.72Å; K87-F265 HydrophobicContact CD-CD1 4.4Å; K87-F265 HydrophobicContact CD-CE1 4.4Å; K87-F265 HydrophobicContact CG-CB 4.44Å; K87-F265 HydrophobicContact CG-CD1 3.85Å; K87-F265 HydrophobicContact CG-CD2 4.23Å; K87-F265 HydrophobicContact CG-CE1 4.18Å; K87-F265 HydrophobicContact CG-CG 3.88Å; K87-F265 HydrophobicContact CG-CZ 4.49Å; L90-F265 HydrophobicContact CD1-CB 3.9Å; E110-F265 CarbonylContact C-O 3.52Å; E110-F265 VanDerWaalsContact CA-O 3.32Å; E110-F265 WeakPolarHBondContact CA-O 3.09Å; T111-F265 PolarHBondContact N-O 3.16Å; T111-F265 PolarHBondContact O-N 2.89Å; A113-F265 HydrophobicContact CB-CE2 4.07Å; I244-F265 HydrophobicContact CG2-CB 4.02Å; I244-F265 HydrophobicContact CG2-CD1 4.42Å; V245-F265 VanDerWaalsContact O-CA 3.31Å; V245-F265 WeakPolarHBondContact O-CA 3.25Å; S246-F265 WeakPolarHBondContact OG-CD1 3.45Å; S246-F265 WeakPolarHBondContact OG-CE1 3.1Å; P262-F265 WeakPolarHBondContact O-CE1 3.41Å
266	Y	98.8	Very high	97.5	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.4	176.5	64.2	-94.6	0	0	0	112.9	V109 V245 A247 R268 V273 N277 E281	V109-Y266 WeakPolarHBondContact O-CA 3.01Å; V109-Y266 VanDerWaalsContact O-CB 3.32Å; V109-Y266 WeakPolarHBondContact O-CB 3.24Å; V245-Y266 HydrophobicContact CB-CD1 4.19Å; V245-Y266 HydrophobicContact CB-CD2 4.04Å; V245-Y266 HydrophobicContact CB-CE1 3.83Å; V245-Y266 HydrophobicContact CB-CE2 3.67Å; V245-Y266 HydrophobicContact CB-CG 4.3Å; V245-Y266 HydrophobicContact CG1-CE1 3.75Å; V245-Y266 HydrophobicContact CG1-CE2 4.11Å; V245-Y266 WeakPolarHBondContact CG1-OH 3.23Å; V245-Y266 HydrophobicContact CG2-CD2 4.22Å; V245-Y266 HydrophobicContact CG2-CE2 3.71Å; V245-Y266 PolarHBondContact N-O 3.27Å; V245-Y266 PolarHBondContact O-N 2.86Å; V245-Y266 VanDerWaalsContact O-N 3.12Å; A247-Y266 HydrophobicContact CB-CE1 3.96Å; Y266-R268 PolarHBondContact O-N 3.2Å; Y266-V273 HydrophobicContact CD2-CB 4.43Å; Y266-V273 HydrophobicContact CD2-CG1 3.78Å; Y266-V273 HydrophobicContact CD2-CG2 3.88Å; Y266-V273 HydrophobicContact CE2-CG1 4.27Å; Y266-V273 HydrophobicContact CG-CG1 3.9Å; Y266-V273 HydrophobicContact CG-CG2 4.3Å; Y266-N277 PolarHBondContact OH-N 3.11Å; Y266-N277 PolarHBondContact OH-O 3.32Å; Y266-E281 HydrophobicContact CE2-CG 4.44Å; Y266-E281 WeakPolarHBondContact CE2-OE1 3.2Å; Y266-E281 PolarHBondContact OH-OE1 2.97Å
267	L	98	Very high	97.6	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.4	177	-61.3	-177.6	0	0	0	110.8	L90 V109 P239 G269 H270	L90-L267 HydrophobicContact CB-CD2 4.02Å; L90-L267 HydrophobicContact CD1-CD2 4.34Å; V109-L267 HydrophobicContact CB-CD1 4.18Å; V109-L267 HydrophobicContact CB-CG 4.41Å; V109-L267 HydrophobicContact CG1-CD1 3.95Å; V109-L267 PolarHBondContact O-N 2.79Å; P239-L267 HydrophobicContact CB-CD2 3.7Å; P239-L267 HydrophobicContact CG-CD2 3.65Å; L267-G269 PolarHBondContact O-N 3.08Å; L267-H270 HydrophobicContact CB-CB 3.81Å; L267-H270 VanDerWaalsContact O-CB 3.29Å; L267-H270 WeakPolarHBondContact O-CB 3.44Å; L267-H270 PolarHBondContact O-N 3.15Å
268	R	97.5	Very high	97.6	Very high	62 Å²	62	47.2 Å²	47.2	23%	0.234	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133.3	-177.9	-175	-172	-56.4	-76.7	-5.4	111.5	Q242 D243 V245 Y266 H270 E281 S284	Q242-R268 PolarHBondContact O-NE 2.94Å; Q242-R268 PolarHBondContact O-NH2 2.94Å; Q242-R268 VanDerWaalsContact O-NH2 3.14Å; D243-R268 WeakPolarHBondContact O-CB 3.3Å; D243-R268 PolarHBondContact O-N 2.76Å; V245-R268 HydrophobicContact CG2-CB 3.8Å; V245-R268 HydrophobicContact CG2-CG 4.14Å; Y266-R268 PolarHBondContact O-N 3.2Å; R268-H270 PolarHBondContact O-N 3.44Å; R268-E281 HydrophobicContact CG-CG 4.45Å; R268-E281 PolarHBondContact NH1-O 3.05Å; R268-S284 VanDerWaalsContact CZ-OG 3.3Å; R268-S284 PolarHBondContact NH1-OG 3.03Å; R268-S284 PolarHBondContact NH2-OG 3.01Å
269	G	96	Very high	97.5	Very high	63 Å²	63	49.6 Å²	49.6	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	1.9	175.2	0	0	0	0	0	114.9	L267	L267-G269 PolarHBondContact O-N 3.08Å
270	H	97.4	Very high	97.5	Very high	31 Å²	31	49.4 Å²	49.4	14%	0.144	27%	0.266	C	S	.	.			trans	-73.6	125.8	-174.8	-169.2	-71.1	0	0	0	111	E172 L267 R268 C272 V273	E172-H270 IonicContact OE2-CE1 3.95Å; E172-H270 IonicContact OE2-NE2 3.63Å; E172-H270 PolarHBondContact OE2-NE2 3.4Å; L267-H270 HydrophobicContact CB-CB 3.81Å; L267-H270 VanDerWaalsContact O-CB 3.29Å; L267-H270 WeakPolarHBondContact O-CB 3.44Å; L267-H270 PolarHBondContact O-N 3.15Å; R268-H270 PolarHBondContact O-N 3.44Å; H270-C272 PolarHBondContact ND1-N 3.18Å; H270-C272 PolarHBondContact O-N 2.84Å; H270-C272 VanDerWaalsContact O-N 3.13Å; H270-V273 HydrophobicContact CB-CG2 3.96Å; H270-V273 WeakPolarHBondContact O-CB 3.21Å; H270-V273 WeakPolarHBondContact O-CG2 3.46Å; H270-V273 PolarHBondContact O-N 2.9Å; H270-V273 VanDerWaalsContact O-N 3.09Å
271	P	97.6	Very high	97.4	Very high	93 Å²	93	44.9 Å²	44.9	60%	0.604	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.8	-168.2	26.9	-36.7	0	0	0	114.5
272	C	98.3	Very high	97.1	Very high	7 Å²	7	48.5 Å²	48.5	5%	0.047	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.2	177.3	-60.4	0	0	0	0	113.6	V109 S170 E172 N202 H270 S274	V109-C272 HydrophobicContact CG2-CB 4.09Å; S170-C272 PolarHBondContact OG-O 3.19Å; E172-C272 HydrophobicContact CB-CB 4.46Å; N202-C272 VanDerWaalsContact CB-O 3.31Å; N202-C272 WeakPolarHBondContact CB-O 3.27Å; H270-C272 PolarHBondContact ND1-N 3.18Å; H270-C272 PolarHBondContact O-N 2.84Å; H270-C272 VanDerWaalsContact O-N 3.13Å; C272-S274 PolarHBondContact O-N 2.75Å
273	V	98.5	Very high	96.6	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	27%	0.271	C	S	.	.			trans	-59.2	134.8	175.8	172.4	0	0	0	0	109.9	V109 Y266 H270 V276	V109-V273 HydrophobicContact CG2-CG2 4.37Å; Y266-V273 HydrophobicContact CD2-CB 4.43Å; Y266-V273 HydrophobicContact CD2-CG1 3.78Å; Y266-V273 HydrophobicContact CD2-CG2 3.88Å; Y266-V273 HydrophobicContact CE2-CG1 4.27Å; Y266-V273 HydrophobicContact CG-CG1 3.9Å; Y266-V273 HydrophobicContact CG-CG2 4.3Å; H270-V273 HydrophobicContact CB-CG2 3.96Å; H270-V273 WeakPolarHBondContact O-CB 3.21Å; H270-V273 WeakPolarHBondContact O-CG2 3.46Å; H270-V273 PolarHBondContact O-N 2.9Å; H270-V273 VanDerWaalsContact O-N 3.09Å; V273-V276 HydrophobicContact CG1-CG2 4.35Å
274	S	97.8	Very high	95.7	Very high	29 Å²	29	53.4 Å²	53.4	20%	0.203	28%	0.28	C	S	.	.	S	Bend	trans	-72.2	-43	-172.1	70.2	0	0	0	0	112.8	E110 N202 C272	E110-S274 VanDerWaalsContact CD-OG 3.23Å; E110-S274 PolarHBondContact OE1-OG 3.08Å; E110-S274 WeakPolarHBondContact OE2-CA 3.24Å; E110-S274 WeakPolarHBondContact OE2-CB 3.22Å; E110-S274 PolarHBondContact OE2-N 2.97Å; E110-S274 PolarHBondContact OE2-OG 2.93Å; N202-S274 VanDerWaalsContact O-CB 3.32Å; N202-S274 WeakPolarHBondContact O-CB 3.4Å; C272-S274 PolarHBondContact O-N 2.75Å
275	V	98.1	Very high	94.7	Very high	67 Å²	67	59.3 Å²	59.3	41%	0.406	31%	0.311	S	S	.	.	S	Bend	trans	-138.8	110	179.2	-176	0	0	0	0	110.1	V250 R264	V250-V275 HydrophobicContact CG1-CG2 4.28Å; V250-V275 HydrophobicContact CG2-CB 4.09Å; V250-V275 HydrophobicContact CG2-CG2 4.18Å; R264-V275 PolarHBondContact NH1-O 2.7Å
276	V	97.8	Very high	93.5	Very high	76 Å²	76	62.7 Å²	62.7	46%	0.461	34%	0.335	S	S	.	.			trans	-76.9	132.2	177.2	175.1	0	0	0	0	110.5	V273 K278 E281	V273-V276 HydrophobicContact CG1-CG2 4.35Å; V276-K278 HydrophobicContact CG1-CG 4.3Å; V276-E281 WeakPolarHBondContact CG1-OE1 3.46Å
277	N	97.4	Very high	91.6	Very high	40 Å²	40	65.9 Å²	65.9	21%	0.214	37%	0.368	C	S	.	.			trans	-106.9	95.6	169.6	-172.4	-38.1	0	0	0	110.2	A247 Y266 E279 A280 E281	A247-N277 HydrophobicContact CB-CB 4.08Å; Y266-N277 PolarHBondContact OH-N 3.11Å; Y266-N277 PolarHBondContact OH-O 3.32Å; N277-E279 PolarHBondContact O-N 3.22Å; N277-E279 PolarHBondContact OD1-N 2.77Å; N277-E279 VanDerWaalsContact OD1-N 3.1Å; N277-A280 HydrophobicContact CB-CB 3.97Å; N277-A280 PolarHBondContact O-N 3.18Å; N277-A280 PolarHBondContact OD1-N 3.5Å; N277-E281 PolarHBondContact O-N 3.35Å
278	K	95.4	Very high	89.4	Confident	151 Å²	151	72.6 Å²	72.6	66%	0.657	40%	0.397	S	S	*	.	H	α-helix	trans	-60	-29.4	-178.3	-66.5	-173.5	177.4	-177.9	0	113.4	V276 R282	V276-K278 HydrophobicContact CG1-CG 4.3Å; K278-R282 WeakPolarHBondContact O-CG 2.91Å; K278-R282 PolarHBondContact O-N 3.18Å; K278-R282 PolarHBondContact O-NH1 2.95Å
279	E	95.1	Very high	87	Confident	94 Å²	94	78.5 Å²	78.5	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-73.9	-46.5	178.8	-175.8	176.5	-172.1	0	0	111.5	N277 E281 R282 R283	N277-E279 PolarHBondContact O-N 3.22Å; N277-E279 PolarHBondContact OD1-N 2.77Å; N277-E279 VanDerWaalsContact OD1-N 3.1Å; E279-E281 VanDerWaalsContact C-N 3.26Å; E279-E281 PolarHBondContact O-N 3.43Å; E279-R282 PolarHBondContact O-N 3.39Å; E279-R283 WeakPolarHBondContact O-CG 3.31Å; E279-R283 PolarHBondContact O-N 3.22Å; E279-R283 IonicContact OE1-CZ 3.14Å; E279-R283 IonicContact OE1-NE 3.48Å; E279-R283 PolarHBondContact OE1-NE 3.11Å; E279-R283 IonicContact OE1-NH2 3.82Å; E279-R283 PolarHBondContact OE1-NH2 3.2Å
280	A	94.9	Very high	84.7	Confident	10 Å²	10	79.6 Å²	79.6	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-60.3	-37.3	174.4	0	0	0	0	0	111.8	V245 A247 N277 R283 S284	V245-A280 HydrophobicContact CG1-CB 3.66Å; A247-A280 HydrophobicContact CB-CB 3.8Å; N277-A280 HydrophobicContact CB-CB 3.97Å; N277-A280 PolarHBondContact O-N 3.18Å; N277-A280 PolarHBondContact OD1-N 3.5Å; A280-R283 PolarHBondContact O-N 2.95Å; A280-S284 WeakPolarHBondContact O-CB 3.35Å; A280-S284 PolarHBondContact O-N 2.93Å; A280-S284 PolarHBondContact O-OG 3.43Å
281	E	94.6	Very high	81.8	Confident	37 Å²	37	87.6 Å²	87.6	17%	0.173	47%	0.471	C	S	.	.	H	α-helix	trans	-60.9	-46.8	172.7	-80.5	179.7	-170.5	0	0	112.5	V245 Y266 R268 V276 N277 E279 R283 S284 L285	V245-E281 HydrophobicContact CG1-CG 4.19Å; V245-E281 HydrophobicContact CG2-CG 3.74Å; Y266-E281 HydrophobicContact CE2-CG 4.44Å; Y266-E281 WeakPolarHBondContact CE2-OE1 3.2Å; Y266-E281 PolarHBondContact OH-OE1 2.97Å; R268-E281 HydrophobicContact CG-CG 4.45Å; R268-E281 PolarHBondContact NH1-O 3.05Å; V276-E281 WeakPolarHBondContact CG1-OE1 3.46Å; N277-E281 PolarHBondContact O-N 3.35Å; E279-E281 VanDerWaalsContact C-N 3.26Å; E279-E281 PolarHBondContact O-N 3.43Å; E281-R283 PolarHBondContact O-N 2.71Å; E281-S284 WeakPolarHBondContact CA-OG 3.41Å; E281-S284 PolarHBondContact O-OG 3.02Å; E281-L285 WeakPolarHBondContact O-CG 3.21Å; E281-L285 PolarHBondContact O-N 2.75Å
282	R	92.4	Very high	81	Confident	157 Å²	157	87.3 Å²	87.3	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-63.5	-39.6	177	-73.1	-171.9	-58.3	-95.1	2.8	112.6	K278 E279 L285 S286	K278-R282 WeakPolarHBondContact O-CG 2.91Å; K278-R282 PolarHBondContact O-N 3.18Å; K278-R282 PolarHBondContact O-NH1 2.95Å; E279-R282 PolarHBondContact O-N 3.39Å; R282-L285 PolarHBondContact O-N 3.31Å; R282-S286 PolarHBondContact O-N 3.22Å
283	R	86.8	Confident	80.1	Confident	119 Å²	119	91.5 Å²	91.5	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-41.4	-179.8	-70.8	177	-176.1	-165	0.7	112.6	E279 A280 E281 L285 S286	E279-R283 WeakPolarHBondContact O-CG 3.31Å; E279-R283 PolarHBondContact O-N 3.22Å; E279-R283 IonicContact OE1-CZ 3.14Å; E279-R283 IonicContact OE1-NE 3.48Å; E279-R283 PolarHBondContact OE1-NE 3.11Å; E279-R283 IonicContact OE1-NH2 3.82Å; E279-R283 PolarHBondContact OE1-NH2 3.2Å; A280-R283 PolarHBondContact O-N 2.95Å; E281-R283 PolarHBondContact O-N 2.71Å; R283-L285 VanDerWaalsContact C-N 3.25Å; R283-L285 PolarHBondContact O-N 3.42Å; R283-S286 PolarHBondContact O-N 3.29Å; R283-S286 VanDerWaalsContact O-N 3.13Å; R283-S286 PolarHBondContact O-OG 2.87Å
284	S	80.1	Confident	79.1	Confident	44 Å²	44	96 Å²	96	31%	0.308	51%	0.51	S	S	.	.	H	α-helix	trans	-68.1	-23.7	178.5	47.8	0	0	0	0	113.3	R268 A280 E281	R268-S284 VanDerWaalsContact CZ-OG 3.3Å; R268-S284 PolarHBondContact NH1-OG 3.03Å; R268-S284 PolarHBondContact NH2-OG 3.01Å; A280-S284 WeakPolarHBondContact O-CB 3.35Å; A280-S284 PolarHBondContact O-N 2.93Å; A280-S284 PolarHBondContact O-OG 3.43Å; E281-S284 WeakPolarHBondContact CA-OG 3.41Å; E281-S284 PolarHBondContact O-OG 3.02Å
285	L	78.3	Confident	78	Confident	130 Å²	130	99.9 Å²	99.9	68%	0.681	53%	0.528	S	S	*	.	H	α-helix	trans	-76.9	-26.1	171.4	-70.3	169.2	0	0	0	113.4	E281 R282 R283 G287	E281-L285 WeakPolarHBondContact O-CG 3.21Å; E281-L285 PolarHBondContact O-N 2.75Å; R282-L285 PolarHBondContact O-N 3.31Å; R283-L285 VanDerWaalsContact C-N 3.25Å; R283-L285 PolarHBondContact O-N 3.42Å; L285-G287 VanDerWaalsContact C-N 3.31Å
286	S	72.3	Confident	76.7	Confident	73 Å²	73	102 Å²	102	51%	0.51	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.3	-177.4	63.5	0	0	0	0	114	R282 R283 K288	R282-S286 PolarHBondContact O-N 3.22Å; R283-S286 PolarHBondContact O-N 3.29Å; R283-S286 VanDerWaalsContact O-N 3.13Å; R283-S286 PolarHBondContact O-OG 2.87Å; S286-K288 PolarHBondContact O-N 3.35Å
287	G	60.2	Low	75.3	Confident	68 Å²	68	103.7 Å²	103.7	70%	0.701	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	9.5	178.4	0	0	0	0	0	114.7	L285 E289	L285-G287 VanDerWaalsContact C-N 3.31Å; G287-E289 PolarHBondContact O-N 3.09Å
288	K	50.3	Low	73.7	Confident	163 Å²	163	108.3 Å²	108.3	71%	0.709	56%	0.564	S	S	*	*			trans	-90.1	88.7	177	-67.8	-175.4	179	-177	0	109.3	S286	S286-K288 PolarHBondContact O-N 3.35Å
289	E	47.4	Very low	72	Confident	186 Å²	186	105 Å²	105	87%	0.869	56%	0.557	S	S	*	*			trans	-67.7	129.8	169.1	-71	-170.5	151.4	0	0	110	G287	G287-E289 PolarHBondContact O-N 3.09Å
290	T	47.8	Very low	70.1	Confident	86 Å²	86	105.9 Å²	105.9	53%	0.528	57%	0.567	S	S	.	*			trans	-81.5	117.3	167.1	34.7	0	0	0	0	109.1
291	V	36.6	Very low	67.9	Low	198 Å²	198	114.6 Å²	114.6	100%	1.2	61%	0.611	S	S	*	*			trans	-61.5	0	165	-175.7	0	0	0	0	110.6

Retrieved 291 of 291 residues in 366.5 ms (Link to these results)

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