A0A087XLP3_POEFO Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A087XLP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 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	33.1	Very low	29.9	Very low	235 Å²	235	143.2 Å²	143.2	100%	1.158	81%	0.811	S	S	*	*				0	92.8	0	-95.7	169.7	-171.7	0	0	107.4
2	V	27.2	Very low	29.8	Very low	124 Å²	124	141.5 Å²	141.5	75%	0.752	81%	0.806	S	S	*	*				66.8	78.6	109.5	-175.7	0	0	0	0	110.4
3	T	25.5	Very low	29.6	Very low	110 Å²	110	138.5 Å²	138.5	68%	0.675	80%	0.799	S	S	*	*				64.2	126.5	90.8	60.4	0	0	0	0	115.4
4	F	27.6	Very low	29.6	Very low	207 Å²	207	141.1 Å²	141.1	91%	0.908	80%	0.8	S	S	*	*				-157.4	118.1	119.6	-105.2	-75.8	0	0	0	111.6
5	S	28.1	Very low	29.5	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	80%	0.797	S	S	*	*			trans	-65.7	175.6	160	-57	0	0	0	0	110.3
6	A	32.4	Very low	29.4	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	79%	0.788	S	S	*	*			cis	-165.3	175.4	25.6	0	0	0	0	0	106.7
7	A	29.7	Very low	29.4	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	78%	0.783	S	S	*	*			cis	-165.1	134.5	35.6	0	0	0	0	0	110.1
8	V	30.3	Very low	29.4	Very low	145 Å²	145	145.2 Å²	145.2	88%	0.879	78%	0.783	S	S	*	*				78.3	120.9	97.3	-175.7	0	0	0	0	115.9
9	R	29.6	Very low	29.6	Very low	203 Å²	203	146.4 Å²	146.4	77%	0.766	79%	0.788	S	S	*	*			trans	-81.6	177.1	174.3	-62.7	177.6	170	-172.6	-2.8	112.7
10	P	36.9	Very low	29.9	Very low	122 Å²	122	145.4 Å²	145.4	79%	0.792	79%	0.787	S	S	*	*				-140.9	139.2	91.1	34	-16.9	0	0	0	113.2
11	L	28.1	Very low	29.9	Very low	134 Å²	134	150.3 Å²	150.3	70%	0.702	79%	0.794	S	S	*	*				44.4	113.6	83.2	-94.1	137	0	0	0	112.6
12	V	28.9	Very low	29.9	Very low	123 Å²	123	147.3 Å²	147.3	75%	0.745	78%	0.777	S	S	*	*				178.5	133.5	78.1	165.2	0	0	0	0	107
13	S	27.8	Very low	30.3	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	78%	0.781	S	S	*	*				175.1	144.3	89.6	32.8	0	0	0	0	113
14	H	29.8	Very low	30.5	Very low	175 Å²	175	149.2 Å²	149.2	81%	0.81	79%	0.789	S	S	*	*			trans	67.1	95.4	153.9	-79.4	37.1	0	0	0	118.7
15	L	28.2	Very low	31.1	Very low	144 Å²	144	144 Å²	144	75%	0.754	78%	0.778	S	S	*	*				55.3	122.5	80.3	-85.6	159.2	0	0	0	115.9
16	Q	27.8	Very low	31.6	Very low	140 Å²	140	143.8 Å²	143.8	65%	0.654	77%	0.774	S	S	*	*			trans	80.5	131.6	152.5	-71	-179.7	1.1	0	0	115.9
17	R	28.8	Very low	31.6	Very low	185 Å²	185	150.7 Å²	150.7	70%	0.698	78%	0.78	S	S	*	*			cis	-172.1	154.4	25.5	-111.7	159.7	-146.8	-151.8	6.2	109.2
18	Q	29.2	Very low	31.9	Very low	169 Å²	169	154.1 Å²	154.1	79%	0.79	79%	0.785	S	S	*	*			trans	69.7	101.1	148.9	-67.9	167.2	-39.1	0	0	117
19	L	32.8	Very low	32.3	Very low	168 Å²	168	152.9 Å²	152.9	88%	0.88	78%	0.778	S	S	*	*				41.2	125	86.6	-87.6	162.6	0	0	0	113.9
20	V	36.2	Very low	32.4	Very low	125 Å²	125	148.8 Å²	148.8	76%	0.758	78%	0.778	S	S	*	*			trans	86.3	92.1	176.2	-165.2	0	0	0	0	114.7
21	R	30	Very low	32.6	Very low	250 Å²	250	149.4 Å²	149.4	94%	0.943	78%	0.779	S	S	*	*			trans	-158.8	141.1	132.9	-104	159	-162.6	-141.9	5	111.2
22	H	33.6	Very low	32.9	Very low	171 Å²	171	154.3 Å²	154.3	79%	0.792	79%	0.788	S	S	*	*			trans	-55.4	148	-161.8	-72.7	-25.8	0	0	0	116.9	M24	H22-M24 PolarHBondContact O-N 3.4Å
23	A	34	Very low	33.2	Very low	101 Å²	101	160 Å²	160	84%	0.835	80%	0.797	S	S	*	*			trans	-47	122.7	153.3	0	0	0	0	0	111.1
24	M	31.7	Very low	33.6	Very low	173 Å²	173	160.5 Å²	160.5	85%	0.852	80%	0.799	S	S	*	*			trans	-104.6	102.8	165.8	-73.3	-107.4	80.4	0	0	107.9	H22	H22-M24 PolarHBondContact O-N 3.4Å
25	S	39.4	Very low	34	Very low	97 Å²	97	158 Å²	158	68%	0.678	79%	0.791	S	S	*	*			trans	-64.6	149	163.1	-169.8	0	0	0	0	109.8	R27	S25-R27 PolarHBondContact O-N 3.09Å
26	P	37.3	Very low	34.8	Very low	112 Å²	112	158 Å²	158	73%	0.727	79%	0.791	S	S	*	*			trans	-58.8	138.1	176.9	22.5	-31.8	0	0	0	111.5	I28	P26-I28 PolarHBondContact O-N 2.89Å; P26-I28 VanDerWaalsContact O-N 3.12Å
27	R	32.9	Very low	35.4	Very low	237 Å²	237	155.5 Å²	155.5	89%	0.894	79%	0.785	S	S	*	*			trans	-64.3	109.7	178.9	-75.6	179.7	177.1	-179.8	-1.1	110.1	S25 T29	S25-R27 PolarHBondContact O-N 3.09Å; R27-T29 PolarHBondContact O-N 2.95Å
28	I	36.4	Very low	35.9	Very low	159 Å²	159	151 Å²	151	82%	0.815	79%	0.788	S	S	*	*			trans	-70.4	111.2	163.9	-61.1	171.3	0	0	0	107.3	P26	P26-I28 PolarHBondContact O-N 2.89Å; P26-I28 VanDerWaalsContact O-N 3.12Å
29	T	38.3	Very low	36.6	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	79%	0.793	S	S	*	*			trans	-70.4	129.1	167	16.9	0	0	0	0	108.9	R27 V31	R27-T29 PolarHBondContact O-N 2.95Å; T29-V31 PolarHBondContact O-N 3.37Å; T29-V31 VanDerWaalsContact O-N 3.1Å
30	P	31.4	Very low	37.1	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	76%	0.762	S	S	*	*			trans	-71.3	112.1	178.1	27	-29.3	0	0	0	108.9	R32	P30-R32 PolarHBondContact O-N 3.3Å; P30-R32 VanDerWaalsContact O-N 3.14Å
31	V	42.1	Very low	37.4	Very low	135 Å²	135	140.4 Å²	140.4	82%	0.818	75%	0.751	S	S	*	*			trans	-61	115.1	167.6	179.4	0	0	0	0	107.2	T29 R33	T29-V31 PolarHBondContact O-N 3.37Å; T29-V31 VanDerWaalsContact O-N 3.1Å; V31-R33 PolarHBondContact O-N 2.89Å
32	R	34.6	Very low	37.7	Very low	237 Å²	237	137.6 Å²	137.6	89%	0.894	75%	0.746	S	S	*	*			trans	-61.8	111.9	172.4	-74.8	-176.1	174.4	-169.4	-1.3	108.1	P30 C34	P30-R32 PolarHBondContact O-N 3.3Å; P30-R32 VanDerWaalsContact O-N 3.14Å; R32-C34 PolarHBondContact O-N 2.84Å
33	R	33.9	Very low	37.9	Very low	243 Å²	243	138.6 Å²	138.6	92%	0.917	74%	0.743	S	S	*	*			trans	-63.3	99	166.2	-77.8	-177.2	174.9	-178	-2.2	108.2	V31 N35	V31-R33 PolarHBondContact O-N 2.89Å; R33-N35 PolarHBondContact O-N 2.97Å
34	C	37.8	Very low	38.3	Very low	113 Å²	113	137 Å²	137	76%	0.764	72%	0.724	S	S	*	*			trans	-77.4	97.8	166.4	-154.7	0	0	0	0	107	R32 L36	R32-C34 PolarHBondContact O-N 2.84Å; C34-L36 PolarHBondContact O-N 2.84Å; C34-L36 VanDerWaalsContact O-N 3.12Å
35	N	38.2	Very low	38.5	Very low	122 Å²	122	132.2 Å²	132.2	65%	0.652	70%	0.701	S	S	*	*			trans	-75.7	98.7	176.5	-148.4	0.8	0	0	0	107.6	R33 T37 A38	R33-N35 PolarHBondContact O-N 2.97Å; N35-T37 PolarHBondContact ND2-OG1 2.79Å; N35-T37 PolarHBondContact O-N 2.77Å; N35-T37 PolarHBondContact OD1-OG1 3.33Å; N35-A38 PolarHBondContact O-N 2.92Å
36	L	44	Very low	38.5	Very low	143 Å²	143	131.9 Å²	131.9	75%	0.749	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-61.4	-6.4	179.8	-77.6	165.3	0	0	0	113.7	C34 A38 S40	C34-L36 PolarHBondContact O-N 2.84Å; C34-L36 VanDerWaalsContact O-N 3.12Å; L36-A38 PolarHBondContact O-N 2.59Å; L36-S40 PolarHBondContact O-OG 3.45Å
37	T	41.5	Very low	39	Very low	88 Å²	88	134.5 Å²	134.5	54%	0.54	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-64	-17.8	172.5	24.7	0	0	0	0	113.8	N35	N35-T37 PolarHBondContact ND2-OG1 2.79Å; N35-T37 PolarHBondContact O-N 2.77Å; N35-T37 PolarHBondContact OD1-OG1 3.33Å
38	A	39.5	Very low	39.4	Very low	92 Å²	92	126.3 Å²	126.3	76%	0.76	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-83.1	-9.1	-176.7	0	0	0	0	0	115.1	N35 L36	N35-A38 PolarHBondContact O-N 2.92Å; L36-A38 PolarHBondContact O-N 2.59Å
39	C	43.3	Very low	40	Very low	130 Å²	130	119.4 Å²	119.4	88%	0.878	64%	0.638	S	S	*	*	S	Bend	trans	-129.4	10.6	-172.9	-98.2	0	0	0	0	115.9
40	S	41.8	Very low	40.5	Very low	35 Å²	35	118.2 Å²	118.2	25%	0.245	63%	0.632	C	S	.	*	S	Bend	trans	-113.9	119.8	175.8	40.3	0	0	0	0	110.4	L36 K42	L36-S40 PolarHBondContact O-OG 3.45Å; S40-K42 PolarHBondContact O-N 3.05Å
41	S	43	Very low	41.3	Very low	74 Å²	74	116.4 Å²	116.4	52%	0.517	62%	0.615	S	S	.	*			trans	-46.8	138.1	167.7	163.3	0	0	0	0	109.5	Y43 V44	S41-Y43 PolarHBondContact O-N 2.99Å; S41-Y43 PolarHBondContact OG-N 3.3Å; S41-V44 WeakPolarHBondContact O-CB 3.37Å; S41-V44 PolarHBondContact O-N 3.32Å
42	K	36.9	Very low	41.7	Very low	191 Å²	191	113 Å²	113	83%	0.83	59%	0.587	S	S	*	*	H	α-helix	trans	-50.8	-21.4	177.8	-74.9	-178.1	175.8	-179.7	0	113.7	S40	S40-K42 PolarHBondContact O-N 3.05Å
43	Y	37.9	Very low	42.4	Very low	191 Å²	191	107.9 Å²	107.9	75%	0.749	57%	0.573	S	S	*	*	H	α-helix	trans	-71.4	-33.7	173.4	-88.9	-89.6	0	0	0	113.8	S41 S46	S41-Y43 PolarHBondContact O-N 2.99Å; S41-Y43 PolarHBondContact OG-N 3.3Å; Y43-S46 PolarHBondContact O-N 3.31Å; Y43-S46 PolarHBondContact O-OG 3.08Å
44	V	42.7	Very low	43.1	Very low	69 Å²	69	98.3 Å²	98.3	42%	0.418	55%	0.55	S	S	.	*	H	α-helix	trans	-72.8	-31.8	-178.9	179.9	0	0	0	0	111.8	S41 S46 Q47	S41-V44 WeakPolarHBondContact O-CB 3.37Å; S41-V44 PolarHBondContact O-N 3.32Å; V44-S46 VanDerWaalsContact C-N 3.28Å; V44-S46 PolarHBondContact O-N 3.31Å; V44-Q47 PolarHBondContact O-N 2.99Å
45	L	36	Very low	43.3	Very low	71 Å²	71	99 Å²	99	37%	0.372	55%	0.553	S	S	.	*	H	α-helix	trans	-71.5	-21.3	177.1	-72	163.1	0	0	0	113	Q47 M48	L45-Q47 PolarHBondContact O-N 3.3Å; L45-M48 HydrophobicContact CD2-SD 4.02Å
46	S	39	Very low	43.9	Very low	91 Å²	91	97.5 Å²	97.5	64%	0.636	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.7	179.2	73.2	0	0	0	0	114.2	Y43 V44	Y43-S46 PolarHBondContact O-N 3.31Å; Y43-S46 PolarHBondContact O-OG 3.08Å; V44-S46 VanDerWaalsContact C-N 3.28Å; V44-S46 PolarHBondContact O-N 3.31Å
47	Q	47.8	Very low	44	Very low	167 Å²	167	99.6 Å²	99.6	78%	0.78	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	6.9	-179.1	-64.9	-126.8	-28.3	0	0	113.5	V44 L45	V44-Q47 PolarHBondContact O-N 2.99Å; L45-Q47 PolarHBondContact O-N 3.3Å
48	M	41.8	Very low	44.6	Very low	64 Å²	64	97.4 Å²	97.4	32%	0.315	54%	0.537	S	S	.	.			trans	-84.1	124.7	177.1	-75.7	-179.3	65	0	0	110.2	L45 W52 H53	L45-M48 HydrophobicContact CD2-SD 4.02Å; M48-W52 HydrophobicContact CB-CB 4.35Å; M48-W52 HydrophobicContact CE-CB 3.55Å; M48-W52 HydrophobicContact CE-CE3 4.19Å; M48-W52 WeakPolarHBondContact CE-O 3.49Å; M48-H53 PolarHBondContact O-NE2 3.13Å
49	H	48.8	Very low	45.4	Very low	15 Å²	15	97.7 Å²	97.7	7%	0.069	53%	0.531	C	S	.	.			trans	-61.9	145.9	176.5	-179.9	-91	0	0	0	110.3	M51 W52 W139 F283	H49-M51 PolarHBondContact ND1-N 2.85Å; H49-M51 PolarHBondContact O-N 2.94Å; H49-W52 VanDerWaalsContact O-CB 3.26Å; H49-W52 WeakPolarHBondContact O-CB 3.41Å; H49-W52 VanDerWaalsContact O-CD1 3.29Å; H49-W52 PolarHBondContact O-N 2.85Å; H49-W139 AromaticContact CD2-CD1 3.69Å; H49-W139 AromaticContact CD2-CE2 3.64Å; H49-W139 AromaticContact CD2-NE1 3.38Å; H49-W139 PolarHBondContact CD2-NE1 2.9Å; H49-W139 AromaticContact NE2-NE1 3.58Å; H49-F283 AromaticContact NE2-CZ 3.93Å
50	P	49.3	Very low	46.2	Very low	94 Å²	94	93.6 Å²	93.6	61%	0.61	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-52.2	-28.9	-175.7	-30.3	36.2	0	0	0	115.9	W52 H53	P50-W52 PolarHBondContact O-N 3.03Å; P50-W52 VanDerWaalsContact O-N 3.13Å; P50-H53 PolarHBondContact O-N 2.94Å
51	M	47.7	Very low	47.9	Very low	80 Å²	80	93.6 Å²	93.6	39%	0.394	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-64.4	-9.4	173.2	-68.3	-163.1	-63.7	0	0	114.6	H49 F283 V285	H49-M51 PolarHBondContact ND1-N 2.85Å; H49-M51 PolarHBondContact O-N 2.94Å; M51-F283 HydrophobicContact CE-CD2 3.88Å; M51-F283 HydrophobicContact CE-CE2 3.39Å; M51-F283 HydrophobicContact CE-CZ 3.87Å; M51-V285 HydrophobicContact CB-CG1 3.81Å; M51-V285 HydrophobicContact CE-CG1 4.06Å
52	W	51.2	Low	50.2	Low	62 Å²	62	94.4 Å²	94.4	24%	0.235	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-104.7	5.4	-176.9	-57.1	53.5	0	0	0	112.3	M48 H49 P50 L149 Q286	M48-W52 HydrophobicContact CB-CB 4.35Å; M48-W52 HydrophobicContact CE-CB 3.55Å; M48-W52 HydrophobicContact CE-CE3 4.19Å; M48-W52 WeakPolarHBondContact CE-O 3.49Å; H49-W52 VanDerWaalsContact O-CB 3.26Å; H49-W52 WeakPolarHBondContact O-CB 3.41Å; H49-W52 VanDerWaalsContact O-CD1 3.29Å; H49-W52 PolarHBondContact O-N 2.85Å; P50-W52 PolarHBondContact O-N 3.03Å; P50-W52 VanDerWaalsContact O-N 3.13Å; W52-L149 HydrophobicContact CZ2-CD1 4.42Å; W52-L149 HydrophobicContact CZ2-CD2 4.48Å; W52-Q286 VanDerWaalsContact CH2-CD 3.46Å
53	H	47.5	Very low	52.9	Low	130 Å²	130	89 Å²	89	60%	0.602	49%	0.493	S	S	*	.	S	Bend	trans	-91.7	-3.1	-179	-64.2	168.1	0	0	0	113.9	M48 P50	M48-H53 PolarHBondContact O-NE2 3.13Å; P50-H53 PolarHBondContact O-N 2.94Å
54	G	49	Very low	55.7	Low	42 Å²	42	80.4 Å²	80.4	43%	0.433	46%	0.459	S	S	.	.	S	Bend	trans	-122.3	163.5	-178.7	0	0	0	0	0	113.8	L56	G54-L56 PolarHBondContact O-N 3.37Å; G54-L56 VanDerWaalsContact O-N 3.14Å
55	P	42.4	Very low	58.3	Low	128 Å²	128	77.1 Å²	77.1	83%	0.831	44%	0.439	S	S	*	.			trans	-60.5	118	170	24.5	-29.7	0	0	0	109.2	E57	P55-E57 VanDerWaalsContact C-N 3.26Å; P55-E57 PolarHBondContact O-N 2.87Å
56	L	50.8	Low	61.2	Low	90 Å²	90	73.8 Å²	73.8	47%	0.471	42%	0.422	S	S	.	.			trans	-69.4	82.7	173.6	-75.8	172	0	0	0	108.9	G54 V58 V285	G54-L56 PolarHBondContact O-N 3.37Å; G54-L56 VanDerWaalsContact O-N 3.14Å; L56-V58 HydrophobicContact CB-CG2 3.78Å; L56-V58 HydrophobicContact CD2-CG2 3.85Å; L56-V58 HydrophobicContact CG-CG2 4.34Å; L56-V58 PolarHBondContact O-N 3.38Å; L56-V285 HydrophobicContact CD1-CG2 4.15Å; L56-V285 HydrophobicContact CD2-CB 4.22Å; L56-V285 HydrophobicContact CD2-CG2 3.29Å; L56-V285 HydrophobicContact CG-CG2 4.37Å
57	E	46.2	Very low	64.1	Low	187 Å²	187	69.5 Å²	69.5	87%	0.874	39%	0.392	S	S	*	.			trans	-72.6	76.7	158.5	-73.1	-164.3	170.3	0	0	107.5	P55 P59	P55-E57 VanDerWaalsContact C-N 3.26Å; P55-E57 PolarHBondContact O-N 2.87Å; E57-P59 WeakPolarHBondContact O-CD 3.25Å
58	V	54.1	Low	66.5	Low	43 Å²	43	63.7 Å²	63.7	26%	0.261	37%	0.366	S	S	.	.			trans	-94	116.3	176.7	-177.2	0	0	0	0	107.2	L56 G60 V285	L56-V58 HydrophobicContact CB-CG2 3.78Å; L56-V58 HydrophobicContact CD2-CG2 3.85Å; L56-V58 HydrophobicContact CG-CG2 4.34Å; L56-V58 PolarHBondContact O-N 3.38Å; V58-G60 PolarHBondContact O-N 3.46Å; V58-V285 HydrophobicContact CG2-CG2 4.37Å
59	P	55.6	Low	69.1	Low	98 Å²	98	60.6 Å²	60.6	64%	0.636	35%	0.351	S	S	*	.			trans	-55.9	134.3	169.9	-17.7	28.6	0	0	0	108.9	E57 R284	E57-P59 WeakPolarHBondContact O-CD 3.25Å; P59-R284 PolarHBondContact O-NH2 2.96Å
60	G	61.4	Low	71.4	Confident	44 Å²	44	61.2 Å²	61.2	45%	0.454	36%	0.359	S	S	.	.			trans	158	160.1	168.7	0	0	0	0	0	115.6	V58	V58-G60 PolarHBondContact O-N 3.46Å
61	G	77.7	Confident	73.6	Confident	35 Å²	35	58.1 Å²	58.1	36%	0.361	34%	0.338	S	S	.	.			trans	-72.2	-155.5	178.3	0	0	0	0	0	113.5	E242	G61-E242 WeakPolarHBondContact CA-OE1 3.46Å; G61-E242 PolarHBondContact N-OE1 3.25Å
62	D	90.6	Very high	75.7	Confident	90 Å²	90	62.2 Å²	62.2	48%	0.481	35%	0.353	S	S	.	.	S	Bend	trans	-88	-11.5	-171.9	-73.3	-43	0	0	0	113.9	E242 R290	D62-E242 PolarHBondContact N-OE1 2.86Å; D62-E242 VanDerWaalsContact N-OE1 3.09Å; D62-E242 PolarHBondContact N-OE2 3.31Å; D62-R290 WeakPolarHBondContact O-CB 3.26Å; D62-R290 WeakPolarHBondContact O-CD 3.45Å; D62-R290 WeakPolarHBondContact OD1-CD 3.27Å; D62-R290 IonicContact OD1-CZ 3.17Å; D62-R290 IonicContact OD1-NE 2.7Å; D62-R290 IonicContact OD1-NH1 3.07Å; D62-R290 PolarHBondContact OD1-NH1 3.14Å
63	H	94.7	Very high	77.8	Confident	79 Å²	79	67.4 Å²	67.4	37%	0.366	38%	0.378	S	S	.	.	S	Bend	trans	-125.3	36.3	-171.4	-49.3	84.2	0	0	0	112.4	G233 S234 E242 R292	H63-G233 CarbonylContact O-C 3.54Å; H63-G233 WeakPolarHBondContact O-CA 3.4Å; H63-S234 PolarHBondContact O-N 3.23Å; H63-E242 WeakPolarHBondContact CA-OE1 3.23Å; H63-E242 HydrophobicContact CB-CB 4.33Å; H63-E242 HydrophobicContact CB-CG 4.34Å; H63-E242 IonicContact CG-OE2 2.68Å; H63-E242 VanDerWaalsContact N-CD 3.27Å; H63-E242 PolarHBondContact N-OE1 3.19Å; H63-E242 PolarHBondContact N-OE2 3.23Å; H63-E242 IonicContact ND1-OE2 2.86Å; H63-E242 PolarHBondContact ND1-OE2 2.98Å; H63-E242 VanDerWaalsContact ND1-OE2 3.14Å; H63-R292 PolarHBondContact O-NH1 3.14Å; H63-R292 VanDerWaalsContact O-NH1 3.11Å
64	Q	95.6	Very high	80.2	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.047	35%	0.353	C	S	.	.			trans	-69.9	151	-179.3	-66.8	-68.1	-66.4	0	0	114.2	S234 L240 E242 Q287 R292	Q64-S234 WeakPolarHBondContact CA-OG 3.48Å; Q64-L240 PolarHBondContact NE2-O 3.11Å; Q64-E242 PolarHBondContact N-OE1 3.3Å; Q64-E242 PolarHBondContact NE2-OE1 2.95Å; Q64-Q287 HydrophobicContact CB-CB 3.79Å; Q64-Q287 HydrophobicContact CB-CG 3.81Å; Q64-R292 VanDerWaalsContact O-CZ 3.3Å; Q64-R292 PolarHBondContact O-NH1 2.97Å; Q64-R292 PolarHBondContact O-NH2 3.49Å
65	S	97.6	Very high	82.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-119.3	160.8	175.8	-66.9	0	0	0	0	111.4	Y231 G233 S234 W246 R284 Q287	S65-Y231 WeakPolarHBondContact CB-OH 3.4Å; S65-Y231 WeakPolarHBondContact OG-CE2 3.42Å; S65-Y231 PolarHBondContact OG-OH 2.72Å; S65-G233 VanDerWaalsContact OG-CA 3.29Å; S65-G233 WeakPolarHBondContact OG-CA 3.46Å; S65-S234 WeakPolarHBondContact CB-O 3.35Å; S65-S234 PolarHBondContact N-OG 2.89Å; S65-S234 PolarHBondContact OG-N 3.21Å; S65-W246 PolarHBondContact OG-NE1 3.18Å; S65-R284 WeakPolarHBondContact O-CD 3.49Å; S65-R284 PolarHBondContact O-NH1 3.21Å; S65-Q287 WeakPolarHBondContact O-CG 3.49Å
66	P	97.8	Very high	85.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.334	C	S	.	.			cis	-77.2	176.7	-3.7	35.8	-40.2	0	0	0	112.1	E142 T236 R284 Q286 Q287	P66-E142 HydrophobicContact CB-CB 3.77Å; P66-E142 VanDerWaalsContact CB-O 3.29Å; P66-E142 WeakPolarHBondContact CB-O 3.45Å; P66-E142 HydrophobicContact CG-CB 3.75Å; P66-E142 WeakPolarHBondContact CG-O 3.42Å; P66-T236 HydrophobicContact CB-CG2 4.48Å; P66-R284 WeakPolarHBondContact CG-O 3.39Å; P66-Q286 WeakPolarHBondContact O-CA 3.45Å; P66-Q287 WeakPolarHBondContact O-CB 3.43Å; P66-Q287 PolarHBondContact O-N 2.94Å
67	I	98.1	Very high	87.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.32	C	S	.	.			trans	-130.1	165.1	175.9	62.7	169.4	0	0	0	111.9	I69 T144 Y231 L289 V294	I67-I69 HydrophobicContact CG1-CG1 4.41Å; I67-T144 PolarHBondContact O-N 3.33Å; I67-Y231 HydrophobicContact CD1-CD1 3.8Å; I67-Y231 HydrophobicContact CD1-CD2 3.85Å; I67-Y231 HydrophobicContact CD1-CE1 3.78Å; I67-Y231 HydrophobicContact CD1-CE2 3.86Å; I67-Y231 HydrophobicContact CD1-CG 3.85Å; I67-Y231 HydrophobicContact CG1-CD1 4.39Å; I67-Y231 HydrophobicContact CG1-CE1 3.86Å; I67-Y231 HydrophobicContact CG1-CE2 4.07Å; I67-Y231 HydrophobicContact CG2-CE2 4.15Å; I67-L289 HydrophobicContact CD1-CD1 3.69Å; I67-L289 HydrophobicContact CG2-CD1 4.44Å; I67-V294 HydrophobicContact CD1-CG2 3.55Å
68	D	98	Very high	89.5	Confident	45 Å²	45	54 Å²	54	24%	0.241	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.4	160.9	176.4	43.4	0	0	0	109.8	A70 T144 D146 R147	D68-A70 PolarHBondContact O-N 3.45Å; D68-T144 WeakPolarHBondContact CA-OG1 3.38Å; D68-T144 WeakPolarHBondContact CB-OG1 3.42Å; D68-T144 PolarHBondContact OD1-OG1 3.03Å; D68-D146 PolarHBondContact OD1-N 3.35Å; D68-R147 WeakPolarHBondContact OD1-CA 3.23Å; D68-R147 PolarHBondContact OD1-N 3.19Å; D68-R147 WeakPolarHBondContact OD2-CG 3.38Å
69	I	98.3	Very high	91.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	97	175.5	-59.3	173.4	0	0	0	107.6	I67 V71 T144 D146 W229 V248 V294	I67-I69 HydrophobicContact CG1-CG1 4.41Å; I69-V71 PolarHBondContact O-N 3.16Å; I69-T144 WeakPolarHBondContact CB-O 3.41Å; I69-T144 PolarHBondContact N-O 2.94Å; I69-D146 PolarHBondContact O-N 3.27Å; I69-W229 HydrophobicContact CD1-CB 4.28Å; I69-W229 HydrophobicContact CD1-CD2 4.25Å; I69-W229 HydrophobicContact CD1-CE3 3.96Å; I69-W229 HydrophobicContact CD1-CG 4.41Å; I69-W229 HydrophobicContact CG2-CB 4.49Å; I69-W229 HydrophobicContact CG2-CD2 3.68Å; I69-W229 HydrophobicContact CG2-CE3 4.22Å; I69-W229 HydrophobicContact CG2-CG 3.79Å; I69-W229 HydrophobicContact CG2-CZ2 4.23Å; I69-V248 HydrophobicContact CD1-CB 3.97Å; I69-V248 HydrophobicContact CD1-CG1 3.87Å; I69-V248 HydrophobicContact CD1-CG2 4.2Å; I69-V294 HydrophobicContact CG2-CG1 4.34Å
70	A	96.7	Very high	93.5	Very high	28 Å²	28	55.3 Å²	55.3	23%	0.231	30%	0.302	C	S	.	.			trans	-77.8	101.3	173.3	0	0	0	0	0	109.9	D68 K72 K73 A74 D146	D68-A70 PolarHBondContact O-N 3.45Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 2.85Å; A70-K73 HydrophobicContact CB-CB 4.09Å; A70-K73 HydrophobicContact CB-CD 4.03Å; A70-K73 HydrophobicContact CB-CG 4.13Å; A70-K73 WeakPolarHBondContact O-CA 3.45Å; A70-K73 PolarHBondContact O-N 2.89Å; A70-A74 PolarHBondContact O-N 3.13Å; A70-A74 VanDerWaalsContact O-N 3.17Å; A70-D146 WeakPolarHBondContact CA-OD1 3.35Å
71	V	95.2	Very high	94.9	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.176	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.8	-42.8	-167.7	178.5	0	0	0	0	111.9	I69 K73 A74 V145 D146 W229 P300	I69-V71 PolarHBondContact O-N 3.16Å; V71-K73 PolarHBondContact O-N 3.06Å; V71-A74 WeakPolarHBondContact O-CB 3.35Å; V71-A74 PolarHBondContact O-N 2.86Å; V71-V145 HydrophobicContact CG2-CG1 3.43Å; V71-V145 VanDerWaalsContact CG2-CG1 3.43Å; V71-D146 WeakPolarHBondContact CG2-OD2 3.36Å; V71-D146 PolarHBondContact N-OD1 2.9Å; V71-W229 HydrophobicContact CG1-CZ2 4.48Å; V71-W229 HydrophobicContact CG2-CH2 4.5Å; V71-W229 HydrophobicContact CG2-CZ2 3.87Å; V71-P300 HydrophobicContact CG1-CB 4.24Å
72	K	92.3	Very high	95.7	Very high	165 Å²	165	62 Å²	62	72%	0.717	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-68.8	-15.1	179.4	-65.4	-173.8	177.3	-178	0	114.4	A70 F301	A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 2.85Å; K72-F301 HydrophobicContact CG-CZ 4.16Å
73	K	94.9	Very high	95.9	Very high	171 Å²	171	58.2 Å²	58.2	74%	0.743	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-102.5	-9.6	178.1	-61.4	-174.6	178.8	178	0	112.5	A70 V71	A70-K73 HydrophobicContact CB-CB 4.09Å; A70-K73 HydrophobicContact CB-CD 4.03Å; A70-K73 HydrophobicContact CB-CG 4.13Å; A70-K73 WeakPolarHBondContact O-CA 3.45Å; A70-K73 PolarHBondContact O-N 2.89Å; V71-K73 PolarHBondContact O-N 3.06Å
74	A	96.6	Very high	96	Very high	11 Å²	11	60.3 Å²	60.3	9%	0.091	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-64.8	135.9	172.7	0	0	0	0	0	109.4	A70 V71 V294	A70-A74 PolarHBondContact O-N 3.13Å; A70-A74 VanDerWaalsContact O-N 3.17Å; V71-A74 WeakPolarHBondContact O-CB 3.35Å; V71-A74 PolarHBondContact O-N 2.86Å; A74-V294 CarbonylContact C-O 3.55Å; A74-V294 WeakPolarHBondContact CA-O 3.49Å; A74-V294 HydrophobicContact CB-CG1 4.44Å
75	V	97.3	Very high	96	Very high	77 Å²	77	62 Å²	62	47%	0.467	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.9	-179.6	179.1	0	0	0	0	108	D77 T293 V294 R295 S296	V75-D77 PolarHBondContact O-N 3.1Å; V75-T293 HydrophobicContact CB-CG2 4.02Å; V75-T293 HydrophobicContact CG2-CG2 3.63Å; V75-V294 PolarHBondContact N-O 2.89Å; V75-R295 CarbonylContact O-C 3.45Å; V75-R295 WeakPolarHBondContact O-CA 3.18Å; V75-S296 PolarHBondContact O-N 3.38Å
76	F	97.1	Very high	96	Very high	91 Å²	91	65.3 Å²	65.3	40%	0.399	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	127.4	171.5	172.7	-119.5	0	0	0	109.6	S296 S297 F298 T299	F76-S296 WeakPolarHBondContact CA-O 3.33Å; F76-S296 WeakPolarHBondContact CD2-O 3.43Å; F76-S297 WeakPolarHBondContact CE2-O 3.43Å; F76-F298 WeakPolarHBondContact CD2-O 3.42Å; F76-T299 HydrophobicContact CB-CG2 4.47Å; F76-T299 HydrophobicContact CD1-CG2 3.65Å; F76-T299 HydrophobicContact CD2-CG2 4.06Å; F76-T299 HydrophobicContact CE1-CG2 3.8Å; F76-T299 HydrophobicContact CE2-CG2 4.21Å; F76-T299 HydrophobicContact CG-CG2 3.78Å; F76-T299 HydrophobicContact CZ-CG2 4.08Å
77	D	96.8	Very high	96	Very high	32 Å²	32	66.4 Å²	66.4	17%	0.171	35%	0.347	C	S	.	.			trans	-121.3	107.5	178.4	-177.8	-6.2	0	0	0	108.8	V75 E79 L80 R295 S296	V75-D77 PolarHBondContact O-N 3.1Å; D77-E79 PolarHBondContact O-N 2.64Å; D77-E79 WeakPolarHBondContact OD1-CB 3.45Å; D77-E79 PolarHBondContact OD1-N 3.22Å; D77-L80 HydrophobicContact CB-CD1 3.91Å; D77-L80 HydrophobicContact CB-CG 3.88Å; D77-L80 WeakPolarHBondContact O-CB 3.49Å; D77-L80 PolarHBondContact O-N 3.1Å; D77-R295 HydrophobicContact CB-CB 4.22Å; D77-R295 VanDerWaalsContact OD2-CD 3.27Å; D77-R295 WeakPolarHBondContact OD2-CD 3.23Å; D77-R295 IonicContact OD2-CZ 2.77Å; D77-R295 IonicContact OD2-NE 2.98Å; D77-R295 IonicContact OD2-NH1 3.82Å; D77-R295 PolarHBondContact OD2-NH1 2.87Å; D77-S296 PolarHBondContact N-O 3.3Å
78	S	94.3	Very high	96	Very high	86 Å²	86	68.6 Å²	68.6	60%	0.601	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.2	-179.3	55.7	0	0	0	0	113.7	L80	S78-L80 VanDerWaalsContact C-N 3.33Å
79	E	95.4	Very high	96	Very high	149 Å²	149	68.2 Å²	68.2	70%	0.696	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.4	178.1	-57.9	-60	127.3	0	0	112.3	D77 K81	D77-E79 PolarHBondContact O-N 2.64Å; D77-E79 WeakPolarHBondContact OD1-CB 3.45Å; D77-E79 PolarHBondContact OD1-N 3.22Å; E79-K81 PolarHBondContact O-N 3.32Å; E79-K81 VanDerWaalsContact O-N 3.13Å
80	L	96.4	Very high	96	Very high	19 Å²	19	73.6 Å²	73.6	10%	0.099	38%	0.384	C	S	.	.			trans	-66.1	111.3	172.8	-72.5	178.4	0	0	0	109.8	D77 S78 P119 Y228 T230 R295	D77-L80 HydrophobicContact CB-CD1 3.91Å; D77-L80 HydrophobicContact CB-CG 3.88Å; D77-L80 WeakPolarHBondContact O-CB 3.49Å; D77-L80 PolarHBondContact O-N 3.1Å; S78-L80 VanDerWaalsContact C-N 3.33Å; L80-P119 HydrophobicContact CD2-CB 3.92Å; L80-Y228 HydrophobicContact CD1-CE2 4.15Å; L80-Y228 HydrophobicContact CD2-CE2 4.48Å; L80-T230 HydrophobicContact CD1-CG2 3.97Å; L80-T230 HydrophobicContact CD2-CG2 4.01Å; L80-R295 HydrophobicContact CD1-CB 4.13Å
81	K	91.3	Very high	96.1	Very high	139 Å²	139	72.6 Å²	72.6	60%	0.604	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-74.8	165.5	178.9	-62.9	178	-177	175.3	0	111.2	E79 G118 Y228	E79-K81 PolarHBondContact O-N 3.32Å; E79-K81 VanDerWaalsContact O-N 3.13Å; K81-G118 WeakPolarHBondContact O-CA 3.29Å; K81-G118 PolarHBondContact O-N 2.88Å; K81-Y228 PolarHBondContact O-OH 3.45Å
82	P	94	Very high	96.2	Very high	80 Å²	80	71.3 Å²	71.3	52%	0.519	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-55.3	151.4	164.7	-25	35.8	0	0	0	111.8	G117 G118	P82-G117 WeakPolarHBondContact O-CA 3.36Å; P82-G118 PolarHBondContact O-N 3.09Å
83	L	95.5	Very high	96.5	Very high	11 Å²	11	67.6 Å²	67.6	6%	0.058	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.7	170.6	-67.1	169	0	0	0	109.3	L115 Y228 I247 M249	L83-L115 HydrophobicContact CD2-CD1 4.47Å; L83-Y228 HydrophobicContact CD1-CD1 3.71Å; L83-Y228 HydrophobicContact CD1-CE1 3.92Å; L83-Y228 HydrophobicContact CD1-CG 4.3Å; L83-Y228 HydrophobicContact CD2-CE1 4.32Å; L83-Y228 HydrophobicContact CG-CD1 4.07Å; L83-Y228 HydrophobicContact CG-CE1 3.73Å; L83-I247 HydrophobicContact CD1-CG2 3.64Å; L83-I247 HydrophobicContact CD2-CD1 3.9Å; L83-I247 HydrophobicContact CD2-CG2 4.23Å; L83-M249 HydrophobicContact CD1-CE 3.45Å; L83-M249 VanDerWaalsContact CD1-CE 3.45Å; L83-M249 HydrophobicContact CD1-SD 4.36Å
84	E	96.2	Very high	96.7	Very high	123 Å²	123	62.6 Å²	62.6	58%	0.575	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	105.9	177.7	-68.1	176.5	-154.4	0	0	108.6	L115 K116	E84-L115 CarbonylContact O-C 3.59Å; E84-L115 WeakPolarHBondContact O-CA 3.44Å; E84-K116 HydrophobicContact CB-CB 4.2Å; E84-K116 PolarHBondContact N-O 2.72Å; E84-K116 PolarHBondContact O-N 2.74Å
85	S	96.1	Very high	96.8	Very high	46 Å²	46	62.1 Å²	62.1	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.5	177.5	60	0	0	0	0	111.4	T114	S85-T114 WeakPolarHBondContact CA-O 3.46Å
86	S	97.5	Very high	96.8	Very high	69 Å²	69	61.5 Å²	61.5	48%	0.483	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.2	170.6	174.8	0	0	0	0	108.1	N113 T114	S86-N113 CarbonylContact O-C 3.59Å; S86-N113 WeakPolarHBondContact O-CA 3.42Å; S86-T114 PolarHBondContact N-O 3.26Å; S86-T114 PolarHBondContact O-N 2.84Å
87	Y	98.3	Very high	96.9	Very high	23 Å²	23	57.2 Å²	57.2	9%	0.09	30%	0.298	C	S	.	.			trans	-125.8	131.6	-178.6	-56.6	-54.1	0	0	0	110.1	P89 N113 L126 H158 P217 A218 F221	Y87-P89 WeakPolarHBondContact O-CD 2.97Å; Y87-N113 HydrophobicContact CD1-CB 3.94Å; Y87-L126 HydrophobicContact CD1-CD2 4.12Å; Y87-L126 HydrophobicContact CE1-CB 4.14Å; Y87-L126 HydrophobicContact CE1-CD2 4.14Å; Y87-H158 AromaticContact CE1-NE2 3.58Å; Y87-H158 AromaticContact CZ-NE2 3.62Å; Y87-H158 PolarHBondContact OH-CE1 3.44Å; Y87-H158 PolarHBondContact OH-NE2 3.5Å; Y87-P217 HydrophobicContact CD1-CG 4.12Å; Y87-P217 HydrophobicContact CD2-CG 3.77Å; Y87-P217 HydrophobicContact CE2-CG 4.38Å; Y87-P217 HydrophobicContact CG-CG 3.62Å; Y87-A218 HydrophobicContact CD2-CB 4.03Å; Y87-F221 AromaticContact CE2-CE2 3.73Å; Y87-F221 HydrophobicContact CE2-CE2 3.73Å; Y87-F221 AromaticContact CE2-CZ 3.86Å; Y87-F221 HydrophobicContact CE2-CZ 3.86Å
88	D	98.3	Very high	96.8	Very high	47 Å²	47	58.1 Å²	58.1	25%	0.251	30%	0.303	S	S	.	.			trans	-101.3	108.1	175.3	177.6	-1.7	0	0	0	109	Q90 T91 K112 N113	D88-Q90 PolarHBondContact O-N 2.59Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.35Å; D88-Q90 WeakPolarHBondContact OD1-CG 3.16Å; D88-Q90 PolarHBondContact OD1-N 3.03Å; D88-T91 HydrophobicContact CB-CG2 3.96Å; D88-T91 WeakPolarHBondContact O-CB 3.12Å; D88-T91 PolarHBondContact O-N 2.96Å; D88-T91 PolarHBondContact O-OG1 2.97Å; D88-K112 HydrophobicContact CB-CB 4.05Å; D88-K112 PolarHBondContact N-O 2.73Å; D88-N113 PolarHBondContact N-OD1 2.87Å; D88-N113 PolarHBondContact O-OD1 2.99Å
89	P	98	Very high	96.7	Very high	37 Å²	37	54.9 Å²	54.9	24%	0.24	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-57.9	-24	-176.9	-26.3	36.5	0	0	0	114.2	Y87 T91 C92 R214 F215 D216	Y87-P89 WeakPolarHBondContact O-CD 2.97Å; P89-T91 PolarHBondContact O-N 3.17Å; P89-C92 WeakPolarHBondContact O-CB 3.37Å; P89-C92 PolarHBondContact O-N 3.39Å; P89-R214 WeakPolarHBondContact O-CA 3.31Å; P89-R214 PolarHBondContact O-N 3.26Å; P89-F215 WeakPolarHBondContact CA-O 3.31Å; P89-F215 PolarHBondContact O-N 3.09Å; P89-D216 HydrophobicContact CB-CB 4.25Å; P89-D216 HydrophobicContact CG-CB 3.63Å
90	Q	98	Very high	96.5	Very high	113 Å²	113	51.3 Å²	51.3	53%	0.528	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-68.8	-15.4	-179.8	-58.6	-61.2	-43.2	0	0	113.3	D88	D88-Q90 PolarHBondContact O-N 2.59Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.35Å; D88-Q90 WeakPolarHBondContact OD1-CG 3.16Å; D88-Q90 PolarHBondContact OD1-N 3.03Å
91	T	98.1	Very high	96.5	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.037	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-86.3	-11.3	-179.3	60.7	0	0	0	0	113.6	D88 P89 Q93 Y106 D107 K112 N113	D88-T91 HydrophobicContact CB-CG2 3.96Å; D88-T91 WeakPolarHBondContact O-CB 3.12Å; D88-T91 PolarHBondContact O-N 2.96Å; D88-T91 PolarHBondContact O-OG1 2.97Å; P89-T91 PolarHBondContact O-N 3.17Å; T91-Q93 WeakPolarHBondContact O-CG 3.46Å; T91-Q93 PolarHBondContact O-N 3.48Å; T91-Y106 WeakPolarHBondContact O-CA 3.47Å; T91-Y106 WeakPolarHBondContact OG1-CD1 3.45Å; T91-D107 PolarHBondContact O-N 2.9Å; T91-K112 HydrophobicContact CG2-CB 3.8Å; T91-K112 HydrophobicContact CG2-CD 3.52Å; T91-K112 HydrophobicContact CG2-CG 4.35Å; T91-N113 VanDerWaalsContact CB-ND2 3.32Å; T91-N113 WeakPolarHBondContact CB-ND2 3.47Å; T91-N113 VanDerWaalsContact OG1-CG 3.31Å; T91-N113 PolarHBondContact OG1-ND2 3.15Å; T91-N113 PolarHBondContact OG1-OD1 3.27Å
92	C	98.4	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.9	172.2	-167.2	0	0	0	0	108.9	P89 V104 Y106 F212 N213 F215	P89-C92 WeakPolarHBondContact O-CB 3.37Å; P89-C92 PolarHBondContact O-N 3.39Å; C92-V104 WeakPolarHBondContact SG-CG1 3.32Å; C92-Y106 HydrophobicContact CB-CD1 4.06Å; C92-Y106 HydrophobicContact CB-CE1 3.62Å; C92-F212 CarbonylContact C-O 3.52Å; C92-F212 PolarHBondContact SG-O 2.79Å; C92-N213 WeakPolarHBondContact O-CA 3.28Å; C92-N213 PolarHBondContact O-OD1 3.32Å; C92-F215 HydrophobicContact CB-CB 4.25Å
93	Q	98.1	Very high	97	Very high	87 Å²	87	41 Å²	41	41%	0.407	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-59.2	-170.1	-58.7	-177.8	-16.4	0	0	111.9	T91 E105 F212 N213	T91-Q93 WeakPolarHBondContact O-CG 3.46Å; T91-Q93 PolarHBondContact O-N 3.48Å; Q93-E105 PolarHBondContact N-O 2.81Å; Q93-F212 PolarHBondContact O-N 3.25Å; Q93-N213 PolarHBondContact O-OD1 3.19Å
94	Q	98.4	Very high	97.1	Very high	67 Å²	67	40.4 Å²	40.4	31%	0.313	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.7	-169.4	62.5	-176.5	7.6	0	0	112.1	V104 E105 V209 V210	Q94-V104 WeakPolarHBondContact O-CA 3.42Å; Q94-E105 HydrophobicContact CG-CB 4.24Å; Q94-E105 PolarHBondContact NE2-OE2 3.27Å; Q94-E105 PolarHBondContact O-N 3.25Å; Q94-V209 HydrophobicContact CB-CG2 4.22Å; Q94-V210 WeakPolarHBondContact CA-O 3.34Å
95	I	98.8	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.4	167.4	-170.8	176.5	0	0	0	108.3	F102 L103 V104 L196 A199 L200 I203 V210 F212	I95-F102 HydrophobicContact CD1-CD2 3.79Å; I95-F102 HydrophobicContact CD1-CE2 4.17Å; I95-F102 HydrophobicContact CG1-CD2 3.98Å; I95-L103 VanDerWaalsContact CA-O 3.27Å; I95-L103 WeakPolarHBondContact CA-O 3.37Å; I95-V104 HydrophobicContact CB-CG2 4.11Å; I95-V104 HydrophobicContact CD1-CG2 3.82Å; I95-V104 HydrophobicContact CG1-CG2 3.72Å; I95-L196 HydrophobicContact CD1-CG 4.4Å; I95-A199 HydrophobicContact CG2-CB 4.28Å; I95-L200 HydrophobicContact CD1-CD2 3.79Å; I95-I203 HydrophobicContact CD1-CD1 4.03Å; I95-I203 HydrophobicContact CG1-CD1 3.8Å; I95-I203 HydrophobicContact CG2-CG2 4.37Å; I95-V210 HydrophobicContact CG2-CG2 3.34Å; I95-V210 PolarHBondContact N-O 2.93Å; I95-V210 PolarHBondContact O-N 3.06Å; I95-F212 HydrophobicContact CB-CB 3.87Å; I95-F212 HydrophobicContact CB-CD1 4.36Å; I95-F212 HydrophobicContact CB-CG 4.04Å; I95-F212 HydrophobicContact CG2-CB 3.68Å; I95-F212 HydrophobicContact CG2-CD2 4.08Å; I95-F212 HydrophobicContact CG2-CG 3.93Å
96	W	98.6	Very high	97.4	Very high	65 Å²	65	34.8 Å²	34.8	25%	0.246	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.7	-179.3	68.4	-75	0	0	0	112.3	N98 F102 L103 E105 S208 V209	W96-N98 HydrophobicContact CD2-CB 4.4Å; W96-N98 HydrophobicContact CE3-CB 3.75Å; W96-N98 HydrophobicContact CH2-CB 3.4Å; W96-N98 HydrophobicContact CZ2-CB 4.07Å; W96-N98 VanDerWaalsContact CZ3-CA 3.47Å; W96-N98 HydrophobicContact CZ3-CB 3.22Å; W96-F102 CarbonylContact O-C 3.53Å; W96-F102 WeakPolarHBondContact O-CA 3.27Å; W96-F102 WeakPolarHBondContact O-CB 3.32Å; W96-L103 HydrophobicContact CZ2-CD2 4.28Å; W96-L103 PolarHBondContact N-O 2.9Å; W96-L103 PolarHBondContact O-N 2.96Å; W96-E105 VanDerWaalsContact NE1-CD 3.26Å; W96-E105 PolarHBondContact NE1-OE1 2.93Å; W96-S208 CarbonylContact C-O 3.38Å; W96-S208 VanDerWaalsContact CA-O 3.24Å; W96-S208 WeakPolarHBondContact CA-O 3.33Å; W96-S208 WeakPolarHBondContact CB-O 3.39Å; W96-V209 HydrophobicContact CB-CB 3.69Å; W96-V209 HydrophobicContact CB-CG2 3.84Å
97	N	98.6	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.9	176.9	176.4	-19.1	0	0	0	109.1	G99 I203 R204 H205 D207 S208 L267 M279	N97-G99 VanDerWaalsContact C-N 3.35Å; N97-G99 WeakPolarHBondContact OD1-CA 3.28Å; N97-G99 PolarHBondContact OD1-N 2.68Å; N97-I203 HydrophobicContact CB-CB 4.29Å; N97-I203 HydrophobicContact CB-CD1 4.2Å; N97-I203 WeakPolarHBondContact CB-O 3.43Å; N97-I203 PolarHBondContact ND2-O 3.32Å; N97-R204 PolarHBondContact ND2-O 2.99Å; N97-H205 WeakPolarHBondContact CB-O 3.05Å; N97-H205 VanDerWaalsContact ND2-C 3.33Å; N97-H205 PolarHBondContact ND2-O 2.86Å; N97-D207 WeakPolarHBondContact O-CA 3.47Å; N97-D207 PolarHBondContact O-N 2.71Å; N97-S208 PolarHBondContact N-O 2.74Å; N97-L267 PolarHBondContact ND2-O 3.35Å; N97-M279 WeakPolarHBondContact OD1-CE 3.45Å
98	N	93.8	Very high	97.3	Very high	51 Å²	51	34.2 Å²	34.2	27%	0.273	17%	0.169	S	C	.	.			trans	-92.7	6.4	-177.4	75.9	-8.5	0	0	0	113.8	W96 Y100 S101 L103	W96-N98 HydrophobicContact CD2-CB 4.4Å; W96-N98 HydrophobicContact CE3-CB 3.75Å; W96-N98 HydrophobicContact CH2-CB 3.4Å; W96-N98 HydrophobicContact CZ2-CB 4.07Å; W96-N98 VanDerWaalsContact CZ3-CA 3.47Å; W96-N98 HydrophobicContact CZ3-CB 3.22Å; N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 2.92Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.23Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.24Å; N98-Y100 PolarHBondContact OD1-N 3.2Å; N98-S101 PolarHBondContact N-O 3.24Å; N98-S101 PolarHBondContact OD1-N 2.95Å; N98-S101 PolarHBondContact OD1-O 3.34Å; N98-L103 HydrophobicContact CB-CD1 4.18Å; N98-L103 WeakPolarHBondContact ND2-CD1 3.49Å
99	G	92.4	Very high	97.2	Very high	19 Å²	19	36.7 Å²	36.7	20%	0.196	19%	0.187	C	C	.	.	S	Bend	trans	78.7	10.6	-176.3	0	0	0	0	0	114.5	N97 F268	N97-G99 VanDerWaalsContact C-N 3.35Å; N97-G99 WeakPolarHBondContact OD1-CA 3.28Å; N97-G99 PolarHBondContact OD1-N 2.68Å; G99-F268 VanDerWaalsContact O-CD1 3.23Å; G99-F268 WeakPolarHBondContact O-CD1 3.26Å
100	Y	91	Very high	97.1	Very high	73 Å²	73	37.5 Å²	37.5	29%	0.286	19%	0.191	S	C	.	.	S	Bend	trans	-131.4	-42.5	171.7	-179.5	-91.1	0	0	0	111.6	N98 H132 T237 F268 N282	N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 2.92Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.23Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.24Å; N98-Y100 PolarHBondContact OD1-N 3.2Å; Y100-H132 AromaticContact CE1-CE1 3.77Å; Y100-T237 HydrophobicContact CD1-CG2 3.92Å; Y100-T237 HydrophobicContact CE1-CG2 3.2Å; Y100-F268 WeakPolarHBondContact O-CE1 3.32Å; Y100-N282 WeakPolarHBondContact O-CB 3.35Å; Y100-N282 PolarHBondContact O-ND2 2.87Å; Y100-N282 PolarHBondContact OH-O 3.39Å
101	S	96.6	Very high	97.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	19%	0.186	C	C	.	.	S	Bend	trans	-144.8	-167.9	168.6	-168.5	0	0	0	0	108.2	N98 F131 W133 M279	N98-S101 PolarHBondContact N-O 3.24Å; N98-S101 PolarHBondContact OD1-N 2.95Å; N98-S101 PolarHBondContact OD1-O 3.34Å; S101-F131 PolarHBondContact OG-O 2.67Å; S101-W133 WeakPolarHBondContact OG-CZ3 3.29Å; S101-M279 VanDerWaalsContact CA-SD 3.57Å
102	F	98	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.3	156.9	69	-91.4	0	0	0	109.7	I95 W96 V104 H130 F131 W133 L196 L200 I203 F263 L266	I95-F102 HydrophobicContact CD1-CD2 3.79Å; I95-F102 HydrophobicContact CD1-CE2 4.17Å; I95-F102 HydrophobicContact CG1-CD2 3.98Å; W96-F102 CarbonylContact O-C 3.53Å; W96-F102 WeakPolarHBondContact O-CA 3.27Å; W96-F102 WeakPolarHBondContact O-CB 3.32Å; F102-V104 HydrophobicContact CD2-CG2 4.43Å; F102-V104 HydrophobicContact CE2-CG2 4.37Å; F102-H130 WeakPolarHBondContact O-CB 3.4Å; F102-F131 HydrophobicContact CE1-CD2 4.14Å; F102-F131 AromaticContact CE2-CD2 3.8Å; F102-F131 HydrophobicContact CE2-CD2 3.8Å; F102-F131 HydrophobicContact CE2-CE2 4.05Å; F102-F131 HydrophobicContact CZ-CB 4.49Å; F102-F131 AromaticContact CZ-CD2 3.3Å; F102-F131 HydrophobicContact CZ-CD2 3.3Å; F102-F131 AromaticContact CZ-CE2 3.74Å; F102-F131 HydrophobicContact CZ-CE2 3.74Å; F102-F131 HydrophobicContact CZ-CG 4.18Å; F102-W133 AromaticContact CD1-CH2 3.83Å; F102-W133 HydrophobicContact CD1-CH2 3.83Å; F102-W133 HydrophobicContact CD1-CZ3 4.07Å; F102-W133 HydrophobicContact CE1-CH2 4.03Å; F102-W133 AromaticContact CE1-CZ3 3.91Å; F102-W133 HydrophobicContact CE1-CZ3 3.91Å; F102-L196 HydrophobicContact CE2-CD1 3.89Å; F102-L196 HydrophobicContact CE2-CD2 4.13Å; F102-L196 HydrophobicContact CE2-CG 4.21Å; F102-L196 HydrophobicContact CZ-CD1 4.23Å; F102-L196 HydrophobicContact CZ-CD2 3.83Å; F102-L196 HydrophobicContact CZ-CG 4.42Å; F102-L200 HydrophobicContact CD1-CD2 3.8Å; F102-L200 HydrophobicContact CD2-CD2 4.04Å; F102-L200 HydrophobicContact CE1-CD1 4.25Å; F102-L200 HydrophobicContact CE1-CD2 3.81Å; F102-L200 HydrophobicContact CE2-CD2 4.08Å; F102-L200 HydrophobicContact CG-CD2 3.9Å; F102-L200 HydrophobicContact CZ-CD2 3.95Å; F102-I203 HydrophobicContact CB-CD1 3.46Å; F102-I203 VanDerWaalsContact CB-CD1 3.46Å; F102-I203 HydrophobicContact CG-CD1 4.12Å; F102-F263 AromaticContact CE1-CD1 3.83Å; F102-F263 HydrophobicContact CE1-CD1 3.83Å; F102-F263 AromaticContact CE1-CE1 3.75Å; F102-F263 HydrophobicContact CE1-CE1 3.75Å; F102-F263 HydrophobicContact CE1-CZ 4.41Å; F102-F263 HydrophobicContact CZ-CD1 4.3Å; F102-F263 AromaticContact CZ-CE1 3.74Å; F102-F263 HydrophobicContact CZ-CE1 3.74Å; F102-F263 HydrophobicContact CZ-CZ 4.12Å; F102-L266 HydrophobicContact CB-CD1 4.42Å; F102-L266 HydrophobicContact CD1-CD1 3.46Å; F102-L266 VanDerWaalsContact CD1-CD1 3.46Å; F102-L266 HydrophobicContact CE1-CD1 4.16Å; F102-L266 HydrophobicContact CG-CD1 4.31Å
103	L	98.2	Very high	97	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.8	177.6	-76.7	72.3	0	0	0	109	I95 W96 N98 E105 Q128 H130	I95-L103 VanDerWaalsContact CA-O 3.27Å; I95-L103 WeakPolarHBondContact CA-O 3.37Å; W96-L103 HydrophobicContact CZ2-CD2 4.28Å; W96-L103 PolarHBondContact N-O 2.9Å; W96-L103 PolarHBondContact O-N 2.96Å; N98-L103 HydrophobicContact CB-CD1 4.18Å; N98-L103 WeakPolarHBondContact ND2-CD1 3.49Å; L103-E105 HydrophobicContact CB-CG 4.49Å; L103-Q128 HydrophobicContact CD2-CG 4.29Å; L103-H130 HydrophobicContact CG-CB 4.33Å
104	V	98.8	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119	164.2	179	0	0	0	0	107.7	C92 Q94 I95 F102 Y106 Q128 F129 L196 F212	C92-V104 WeakPolarHBondContact SG-CG1 3.32Å; Q94-V104 WeakPolarHBondContact O-CA 3.42Å; I95-V104 HydrophobicContact CB-CG2 4.11Å; I95-V104 HydrophobicContact CD1-CG2 3.82Å; I95-V104 HydrophobicContact CG1-CG2 3.72Å; F102-V104 HydrophobicContact CD2-CG2 4.43Å; F102-V104 HydrophobicContact CE2-CG2 4.37Å; V104-Y106 HydrophobicContact CG1-CE2 3.82Å; V104-Q128 CarbonylContact O-C 3.54Å; V104-Q128 WeakPolarHBondContact O-CA 3.32Å; V104-Q128 VanDerWaalsContact O-CB 3.32Å; V104-Q128 WeakPolarHBondContact O-CB 3.22Å; V104-F129 HydrophobicContact CB-CD1 4.18Å; V104-F129 HydrophobicContact CB-CD2 4.15Å; V104-F129 HydrophobicContact CB-CE1 3.75Å; V104-F129 HydrophobicContact CB-CE2 3.64Å; V104-F129 HydrophobicContact CB-CG 4.37Å; V104-F129 HydrophobicContact CB-CZ 3.45Å; V104-F129 VanDerWaalsContact CB-CZ 3.45Å; V104-F129 HydrophobicContact CG1-CD1 4.47Å; V104-F129 HydrophobicContact CG1-CE1 3.79Å; V104-F129 HydrophobicContact CG1-CE2 4.44Å; V104-F129 HydrophobicContact CG1-CZ 3.76Å; V104-F129 HydrophobicContact CG2-CD2 4.3Å; V104-F129 HydrophobicContact CG2-CE1 4.27Å; V104-F129 HydrophobicContact CG2-CE2 3.45Å; V104-F129 VanDerWaalsContact CG2-CE2 3.45Å; V104-F129 HydrophobicContact CG2-CZ 3.46Å; V104-F129 VanDerWaalsContact CG2-CZ 3.46Å; V104-F129 PolarHBondContact N-O 3.44Å; V104-F129 PolarHBondContact O-N 3.36Å; V104-L196 HydrophobicContact CG2-CD1 4.23Å; V104-F212 HydrophobicContact CG1-CD1 3.8Å; V104-F212 HydrophobicContact CG1-CE1 4.04Å; V104-F212 HydrophobicContact CG2-CD1 4.38Å; V104-F212 HydrophobicContact CG2-CE1 4.33Å
105	E	98.6	Very high	97	Very high	45 Å²	45	33.8 Å²	33.8	21%	0.21	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.5	-172	-68.6	177.8	169.7	0	0	112.4	Q93 Q94 W96 L103 Q128	Q93-E105 PolarHBondContact N-O 2.81Å; Q94-E105 HydrophobicContact CG-CB 4.24Å; Q94-E105 PolarHBondContact NE2-OE2 3.27Å; Q94-E105 PolarHBondContact O-N 3.25Å; W96-E105 VanDerWaalsContact NE1-CD 3.26Å; W96-E105 PolarHBondContact NE1-OE1 2.93Å; L103-E105 HydrophobicContact CB-CG 4.49Å; E105-Q128 HydrophobicContact CG-CB 4.23Å
106	Y	98.4	Very high	97	Very high	6 Å²	6	37.8 Å²	37.8	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.4	-178.1	-71.5	-101.7	0	0	0	110.5	T91 C92 V104 D108 L126 C127 F129 F215 P217	T91-Y106 WeakPolarHBondContact O-CA 3.47Å; T91-Y106 WeakPolarHBondContact OG1-CD1 3.45Å; C92-Y106 HydrophobicContact CB-CD1 4.06Å; C92-Y106 HydrophobicContact CB-CE1 3.62Å; V104-Y106 HydrophobicContact CG1-CE2 3.82Å; Y106-D108 PolarHBondContact O-N 3.12Å; Y106-L126 HydrophobicContact CD1-CD2 4.02Å; Y106-L126 HydrophobicContact CD2-CD2 3.7Å; Y106-L126 HydrophobicContact CD2-CG 4.16Å; Y106-L126 HydrophobicContact CE1-CD2 4.19Å; Y106-L126 HydrophobicContact CE2-CD2 3.9Å; Y106-L126 HydrophobicContact CG-CD2 3.79Å; Y106-L126 HydrophobicContact CG-CG 4.32Å; Y106-C127 PolarHBondContact N-O 2.92Å; Y106-F129 AromaticContact CE2-CD1 3.79Å; Y106-F129 HydrophobicContact CE2-CD1 3.79Å; Y106-F129 AromaticContact CE2-CE1 3.83Å; Y106-F129 HydrophobicContact CE2-CE1 3.83Å; Y106-F129 WeakPolarHBondContact OH-CE1 3.22Å; Y106-F215 WeakPolarHBondContact OH-CD1 3.34Å; Y106-F215 PolarHBondContact OH-O 2.83Å; Y106-P217 HydrophobicContact CE1-CG 4.06Å; Y106-P217 WeakPolarHBondContact OH-CD 3.47Å
107	D	97.8	Very high	96.9	Very high	38 Å²	38	35.2 Å²	35.2	20%	0.203	19%	0.187	C	C	.	.			trans	-64.4	112.2	164.8	179.5	15.8	0	0	0	110.2	T91 T109 N113	T91-D107 PolarHBondContact O-N 2.9Å; D107-T109 VanDerWaalsContact OD1-CB 3.31Å; D107-T109 WeakPolarHBondContact OD1-CB 3.27Å; D107-T109 VanDerWaalsContact OD1-CG2 3.31Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.21Å; D107-T109 PolarHBondContact OD1-N 3.24Å; D107-T109 PolarHBondContact OD1-OG1 2.93Å; D107-T109 PolarHBondContact OD2-OG1 3.43Å; D107-N113 PolarHBondContact O-ND2 3.31Å
108	D	96.7	Very high	96.8	Very high	41 Å²	41	35.7 Å²	35.7	22%	0.219	19%	0.191	C	C	.	.			trans	-109.1	11.8	179.4	69.7	-11.4	0	0	0	113	Y106 T110 R125 C127 W159	Y106-D108 PolarHBondContact O-N 3.12Å; D108-T110 PolarHBondContact O-N 3.36Å; D108-R125 HydrophobicContact CB-CB 4.38Å; D108-R125 WeakPolarHBondContact O-CD 3.45Å; D108-R125 PolarHBondContact O-NH1 2.64Å; D108-C127 HydrophobicContact CB-CB 4.42Å; D108-W159 PolarHBondContact OD2-NE1 2.92Å
109	T	96.2	Very high	97	Very high	100 Å²	100	34.4 Å²	34.4	61%	0.613	19%	0.186	S	C	*	.	S	Bend	trans	-71.4	-18.1	176.8	65.6	0	0	0	0	112.6	D107 R125	D107-T109 VanDerWaalsContact OD1-CB 3.31Å; D107-T109 WeakPolarHBondContact OD1-CB 3.27Å; D107-T109 VanDerWaalsContact OD1-CG2 3.31Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.21Å; D107-T109 PolarHBondContact OD1-N 3.24Å; D107-T109 PolarHBondContact OD1-OG1 2.93Å; D107-T109 PolarHBondContact OD2-OG1 3.43Å; T109-R125 PolarHBondContact O-NH1 3.33Å
110	T	96	Very high	97.3	Very high	54 Å²	54	34.4 Å²	34.4	33%	0.331	18%	0.181	S	C	.	.	S	Bend	trans	-132.7	164.5	-178.1	64.7	0	0	0	0	112.8	D108 K112 R125	D108-T110 PolarHBondContact O-N 3.36Å; T110-K112 PolarHBondContact O-N 2.83Å; T110-K112 WeakPolarHBondContact OG1-CG 3.47Å; T110-R125 WeakPolarHBondContact O-CD 3.45Å; T110-R125 PolarHBondContact O-NE 2.88Å
111	D	96.9	Very high	97.5	Very high	77 Å²	77	39 Å²	39	41%	0.412	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	36.7	179.8	-69.7	-11.2	0	0	0	113.7	T114 K123 R125	D111-T114 HydrophobicContact CB-CG2 3.92Å; D111-T114 WeakPolarHBondContact O-CG2 3.41Å; D111-K123 VanDerWaalsContact CG-NZ 3.28Å; D111-K123 WeakPolarHBondContact OD1-CE 3.28Å; D111-K123 IonicContact OD1-NZ 3.22Å; D111-K123 PolarHBondContact OD1-NZ 3.17Å; D111-K123 VanDerWaalsContact OD2-CE 3.26Å; D111-K123 WeakPolarHBondContact OD2-CE 3.21Å; D111-K123 IonicContact OD2-NZ 3.58Å; D111-K123 PolarHBondContact OD2-NZ 3.13Å; D111-R125 IonicContact OD1-CZ 3.66Å; D111-R125 IonicContact OD1-NE 2.79Å; D111-R125 PolarHBondContact OD1-NE 2.84Å; D111-R125 IonicContact OD1-NH2 3.92Å; D111-R125 PolarHBondContact OD1-NH2 2.92Å
112	K	97.8	Very high	97.5	Very high	99 Å²	99	40.5 Å²	40.5	43%	0.43	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-27	179.9	-74.1	-179.1	178.2	-174.9	0	113.5	D88 T91 T110	D88-K112 HydrophobicContact CB-CB 4.05Å; D88-K112 PolarHBondContact N-O 2.73Å; T91-K112 HydrophobicContact CG2-CB 3.8Å; T91-K112 HydrophobicContact CG2-CD 3.52Å; T91-K112 HydrophobicContact CG2-CG 4.35Å; T110-K112 PolarHBondContact O-N 2.83Å; T110-K112 WeakPolarHBondContact OG1-CG 3.47Å
113	N	98	Very high	97.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-124.3	90.6	179.5	-54.3	-67.9	0	0	0	109.8	S86 Y87 D88 T91 D107 R125 L126	S86-N113 CarbonylContact O-C 3.59Å; S86-N113 WeakPolarHBondContact O-CA 3.42Å; Y87-N113 HydrophobicContact CD1-CB 3.94Å; D88-N113 PolarHBondContact N-OD1 2.87Å; D88-N113 PolarHBondContact O-OD1 2.99Å; T91-N113 VanDerWaalsContact CB-ND2 3.32Å; T91-N113 WeakPolarHBondContact CB-ND2 3.47Å; T91-N113 VanDerWaalsContact OG1-CG 3.31Å; T91-N113 PolarHBondContact OG1-ND2 3.15Å; T91-N113 PolarHBondContact OG1-OD1 3.27Å; D107-N113 PolarHBondContact O-ND2 3.31Å; N113-R125 CarbonylContact O-C 3.1Å; N113-R125 VanDerWaalsContact O-CA 3.23Å; N113-R125 WeakPolarHBondContact O-CA 3.42Å; N113-L126 HydrophobicContact CB-CB 3.75Å; N113-L126 HydrophobicContact CB-CD2 4.38Å; N113-L126 PolarHBondContact O-N 2.97Å
114	T	98.3	Very high	97.5	Very high	19 Å²	19	40.8 Å²	40.8	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.3	-169.5	63.5	0	0	0	0	112.7	S85 S86 D111 K123 Y124 R125	S85-T114 WeakPolarHBondContact CA-O 3.46Å; S86-T114 PolarHBondContact N-O 3.26Å; S86-T114 PolarHBondContact O-N 2.84Å; D111-T114 HydrophobicContact CB-CG2 3.92Å; D111-T114 WeakPolarHBondContact O-CG2 3.41Å; T114-K123 HydrophobicContact CG2-CD 3.81Å; T114-K123 HydrophobicContact CG2-CG 4.01Å; T114-Y124 CarbonylContact C-O 3.53Å; T114-Y124 WeakPolarHBondContact CA-O 3.43Å; T114-R125 HydrophobicContact CG2-CG 4.47Å
115	L	98.5	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.4	171	-179.6	66.3	0	0	0	109.9	L83 E84 L120 Y124 A178 I180 I247	L83-L115 HydrophobicContact CD2-CD1 4.47Å; E84-L115 CarbonylContact O-C 3.59Å; E84-L115 WeakPolarHBondContact O-CA 3.44Å; L115-L120 HydrophobicContact CD2-CD1 3.79Å; L115-L120 HydrophobicContact CG-CD1 3.75Å; L115-Y124 PolarHBondContact N-O 3.09Å; L115-Y124 PolarHBondContact O-N 3.03Å; L115-A178 HydrophobicContact CD2-CB 4.35Å; L115-I180 HydrophobicContact CD1-CD1 3.84Å; L115-I180 HydrophobicContact CD2-CD1 3.72Å; L115-I180 HydrophobicContact CD2-CG1 3.92Å; L115-I180 HydrophobicContact CG-CD1 4.42Å; L115-I247 HydrophobicContact CD2-CD1 4.24Å
116	K	97.6	Very high	97.5	Very high	84 Å²	84	40.6 Å²	40.6	37%	0.365	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	176.7	176.9	-72.3	179.9	175.8	-179.2	0	110	E84 K123	E84-K116 HydrophobicContact CB-CB 4.2Å; E84-K116 PolarHBondContact N-O 2.72Å; E84-K116 PolarHBondContact O-N 2.74Å; K116-K123 HydrophobicContact CD-CB 4.36Å; K116-K123 HydrophobicContact CD-CG 4.32Å; K116-K123 VanDerWaalsContact CE-CD 3.46Å; K116-K123 HydrophobicContact CG-CB 4.07Å; K116-K123 HydrophobicContact CG-CG 4.07Å
117	G	97	Very high	97.5	Very high	12 Å²	12	41 Å²	41	12%	0.124	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.4	-164	176	0	0	0	0	0	112.3	P82 L120	P82-G117 WeakPolarHBondContact O-CA 3.36Å; G117-L120 VanDerWaalsContact O-CB 3.29Å; G117-L120 WeakPolarHBondContact O-CB 3.5Å; G117-L120 PolarHBondContact O-N 2.88Å
118	G	97.1	Very high	97.5	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-125.4	-172	0	0	0	0	0	114.3	K81 P82 L120 Y228	K81-G118 WeakPolarHBondContact O-CA 3.29Å; K81-G118 PolarHBondContact O-N 2.88Å; P82-G118 PolarHBondContact O-N 3.09Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.83Å; G118-Y228 WeakPolarHBondContact CA-OH 3.44Å
119	P	97.5	Very high	97.6	Very high	25 Å²	25	38.6 Å²	38.6	16%	0.162	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.7	178.2	34.7	-35.4	0	0	0	113.7	L80 T230 T245 I247	L80-P119 HydrophobicContact CD2-CB 3.92Å; P119-T230 HydrophobicContact CB-CG2 3.98Å; P119-T230 HydrophobicContact CG-CG2 4.23Å; P119-T230 WeakPolarHBondContact CG-OG1 3.08Å; P119-T245 HydrophobicContact CB-CG2 4.3Å; P119-T245 HydrophobicContact CG-CG2 3.98Å; P119-I247 HydrophobicContact CG-CD1 3.93Å; P119-I247 HydrophobicContact CG-CG1 3.76Å
120	L	97.6	Very high	97.8	Very high	18 Å²	18	34.8 Å²	34.8	9%	0.094	18%	0.176	C	C	.	.			trans	-88	132.2	-170.2	-50.9	177.3	0	0	0	110.7	L115 G117 G118 Y124 A178 T245 I247	L115-L120 HydrophobicContact CD2-CD1 3.79Å; L115-L120 HydrophobicContact CG-CD1 3.75Å; G117-L120 VanDerWaalsContact O-CB 3.29Å; G117-L120 WeakPolarHBondContact O-CB 3.5Å; G117-L120 PolarHBondContact O-N 2.88Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.83Å; L120-Y124 HydrophobicContact CB-CD2 4.38Å; L120-Y124 HydrophobicContact CB-CE2 4.11Å; L120-Y124 HydrophobicContact CD1-CD2 3.88Å; L120-Y124 HydrophobicContact CD1-CE2 4.25Å; L120-Y124 HydrophobicContact CD1-CG 4.5Å; L120-Y124 HydrophobicContact CD2-CD2 4.36Å; L120-Y124 HydrophobicContact CD2-CE2 3.95Å; L120-Y124 HydrophobicContact CG-CD2 4.43Å; L120-Y124 HydrophobicContact CG-CE2 4.32Å; L120-A178 HydrophobicContact CD1-CB 4.01Å; L120-A178 HydrophobicContact CD2-CB 3.78Å; L120-T245 HydrophobicContact CD2-CG2 3.92Å; L120-I247 HydrophobicContact CD1-CD1 4.09Å; L120-I247 HydrophobicContact CD2-CD1 4.27Å; L120-I247 HydrophobicContact CG-CD1 4.16Å
121	Q	95.5	Very high	97.9	Very high	169 Å²	169	32.2 Å²	32.2	79%	0.79	16%	0.16	S	C	*	.	S	Bend	trans	-87.1	-29.7	173.7	-64.5	180	0.3	0	0	112.1
122	D	97.3	Very high	98	Very high	33 Å²	33	28.6 Å²	28.6	18%	0.176	14%	0.141	C	C	.	.	S	Bend	trans	-115.1	172	-172.9	-54.3	-52.7	0	0	0	111.3	Y124 N160 D162 R163	D122-Y124 HydrophobicContact CB-CE2 4.1Å; D122-Y124 WeakPolarHBondContact O-CD2 3.35Å; D122-N160 WeakPolarHBondContact CB-OD1 3.46Å; D122-N160 PolarHBondContact OD2-ND2 3.38Å; D122-D162 HydrophobicContact CB-CB 4.2Å; D122-R163 IonicContact OD1-NE 3.72Å; D122-R163 IonicContact OD1-NH2 2.72Å; D122-R163 IonicContact OD2-CZ 2.73Å; D122-R163 IonicContact OD2-NE 3.69Å; D122-R163 PolarHBondContact OD2-NE 2.82Å; D122-R163 IonicContact OD2-NH2 3.49Å; D122-R163 PolarHBondContact OD2-NH2 3.36Å; D122-R163 VanDerWaalsContact OD2-NH2 3.07Å
123	K	97.8	Very high	98	Very high	22 Å²	22	23.9 Å²	23.9	10%	0.096	12%	0.12	C	C	.	.			trans	-84.4	133.7	170.3	-171.8	178.3	69	-142.3	0	112.2	D111 T114 K116 S161 D162	D111-K123 VanDerWaalsContact CG-NZ 3.28Å; D111-K123 WeakPolarHBondContact OD1-CE 3.28Å; D111-K123 IonicContact OD1-NZ 3.22Å; D111-K123 PolarHBondContact OD1-NZ 3.17Å; D111-K123 VanDerWaalsContact OD2-CE 3.26Å; D111-K123 WeakPolarHBondContact OD2-CE 3.21Å; D111-K123 IonicContact OD2-NZ 3.58Å; D111-K123 PolarHBondContact OD2-NZ 3.13Å; T114-K123 HydrophobicContact CG2-CD 3.81Å; T114-K123 HydrophobicContact CG2-CG 4.01Å; K116-K123 HydrophobicContact CD-CB 4.36Å; K116-K123 HydrophobicContact CD-CG 4.32Å; K116-K123 VanDerWaalsContact CE-CD 3.46Å; K116-K123 HydrophobicContact CG-CB 4.07Å; K116-K123 HydrophobicContact CG-CG 4.07Å; K123-S161 WeakPolarHBondContact CE-OG 3.22Å; K123-S161 PolarHBondContact O-N 3.43Å; K123-S161 PolarHBondContact O-OG 2.93Å; K123-S161 VanDerWaalsContact O-OG 3.13Å; K123-D162 WeakPolarHBondContact CB-OD2 3.48Å; K123-D162 VanDerWaalsContact CE-OD1 3.22Å; K123-D162 WeakPolarHBondContact CE-OD1 3.5Å; K123-D162 PolarHBondContact N-OD2 2.92Å; K123-D162 IonicContact NZ-OD1 3.55Å; K123-D162 PolarHBondContact NZ-OD1 2.86Å
124	Y	98.7	Very high	98	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.7	174.6	-66.1	-113.2	0	0	0	110.7	T114 L115 L120 D122 W159 N160 N175 A178	T114-Y124 CarbonylContact C-O 3.53Å; T114-Y124 WeakPolarHBondContact CA-O 3.43Å; L115-Y124 PolarHBondContact N-O 3.09Å; L115-Y124 PolarHBondContact O-N 3.03Å; L120-Y124 HydrophobicContact CB-CD2 4.38Å; L120-Y124 HydrophobicContact CB-CE2 4.11Å; L120-Y124 HydrophobicContact CD1-CD2 3.88Å; L120-Y124 HydrophobicContact CD1-CE2 4.25Å; L120-Y124 HydrophobicContact CD1-CG 4.5Å; L120-Y124 HydrophobicContact CD2-CD2 4.36Å; L120-Y124 HydrophobicContact CD2-CE2 3.95Å; L120-Y124 HydrophobicContact CG-CD2 4.43Å; L120-Y124 HydrophobicContact CG-CE2 4.32Å; D122-Y124 HydrophobicContact CB-CE2 4.1Å; D122-Y124 WeakPolarHBondContact O-CD2 3.35Å; Y124-W159 CarbonylContact C-O 3.42Å; Y124-W159 WeakPolarHBondContact CA-O 3.45Å; Y124-W159 VanDerWaalsContact CD1-C 3.41Å; Y124-N160 HydrophobicContact CD1-CB 3.87Å; Y124-N160 VanDerWaalsContact CD1-N 3.32Å; Y124-N160 HydrophobicContact CE1-CB 3.44Å; Y124-N160 VanDerWaalsContact CE1-CB 3.44Å; Y124-N160 HydrophobicContact CE2-CB 4.31Å; Y124-N160 HydrophobicContact CG-CB 4.46Å; Y124-N160 PolarHBondContact OH-ND2 3.21Å; Y124-N160 VanDerWaalsContact OH-ND2 3.17Å; Y124-N175 WeakPolarHBondContact CE1-O 3.35Å; Y124-N175 PolarHBondContact OH-O 3Å; Y124-A178 HydrophobicContact CD1-CB 3.53Å; Y124-A178 HydrophobicContact CD2-CB 4.36Å; Y124-A178 HydrophobicContact CE1-CB 3.82Å; Y124-A178 HydrophobicContact CG-CB 3.85Å
125	R	98.7	Very high	97.9	Very high	42 Å²	42	27.8 Å²	27.8	16%	0.158	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.1	174.4	-73.2	177.9	-170.9	170	0.9	111	D108 T109 T110 D111 N113 T114 C127 H158 W159	D108-R125 HydrophobicContact CB-CB 4.38Å; D108-R125 WeakPolarHBondContact O-CD 3.45Å; D108-R125 PolarHBondContact O-NH1 2.64Å; T109-R125 PolarHBondContact O-NH1 3.33Å; T110-R125 WeakPolarHBondContact O-CD 3.45Å; T110-R125 PolarHBondContact O-NE 2.88Å; D111-R125 IonicContact OD1-CZ 3.66Å; D111-R125 IonicContact OD1-NE 2.79Å; D111-R125 PolarHBondContact OD1-NE 2.84Å; D111-R125 IonicContact OD1-NH2 3.92Å; D111-R125 PolarHBondContact OD1-NH2 2.92Å; N113-R125 CarbonylContact O-C 3.1Å; N113-R125 VanDerWaalsContact O-CA 3.23Å; N113-R125 WeakPolarHBondContact O-CA 3.42Å; T114-R125 HydrophobicContact CG2-CG 4.47Å; R125-C127 PolarHBondContact O-N 2.71Å; R125-H158 CarbonylContact O-C 3.51Å; R125-H158 WeakPolarHBondContact O-CA 3.48Å; R125-H158 WeakPolarHBondContact O-CB 3.09Å; R125-W159 PolarHBondContact N-O 2.86Å; R125-W159 PolarHBondContact O-N 3.05Å
126	L	98.7	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.4	171.9	178.8	72.5	0	0	0	109	Y87 Y106 N113 Q128 L156 H158 P217	Y87-L126 HydrophobicContact CD1-CD2 4.12Å; Y87-L126 HydrophobicContact CE1-CB 4.14Å; Y87-L126 HydrophobicContact CE1-CD2 4.14Å; Y106-L126 HydrophobicContact CD1-CD2 4.02Å; Y106-L126 HydrophobicContact CD2-CD2 3.7Å; Y106-L126 HydrophobicContact CD2-CG 4.16Å; Y106-L126 HydrophobicContact CE1-CD2 4.19Å; Y106-L126 HydrophobicContact CE2-CD2 3.9Å; Y106-L126 HydrophobicContact CG-CD2 3.79Å; Y106-L126 HydrophobicContact CG-CG 4.32Å; N113-L126 HydrophobicContact CB-CB 3.75Å; N113-L126 HydrophobicContact CB-CD2 4.38Å; N113-L126 PolarHBondContact O-N 2.97Å; L126-Q128 WeakPolarHBondContact CD1-O 3.09Å; L126-L156 HydrophobicContact CD1-CB 4.02Å; L126-L156 HydrophobicContact CD1-CD2 4.47Å; L126-H158 VanDerWaalsContact CA-CD2 3.49Å; L126-H158 WeakPolarHBondContact CA-CD2 3.49Å; L126-H158 PolarHBondContact N-CD2 3.2Å; L126-P217 HydrophobicContact CD2-CB 4.25Å; L126-P217 HydrophobicContact CD2-CG 3.69Å
127	C	97.8	Very high	97.7	Very high	15 Å²	15	27.7 Å²	27.7	10%	0.101	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-40	171.3	56.1	0	0	0	0	111.7	Y106 D108 R125 V157 F167	Y106-C127 PolarHBondContact N-O 2.92Å; D108-C127 HydrophobicContact CB-CB 4.42Å; R125-C127 PolarHBondContact O-N 2.71Å; C127-V157 PolarHBondContact N-O 3.38Å; C127-V157 PolarHBondContact SG-O 3.29Å; C127-F167 VanDerWaalsContact SG-CE2 3.57Å
128	Q	98.5	Very high	97.5	Very high	28 Å²	28	32.8 Å²	32.8	13%	0.131	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	166.1	-179.7	55.3	84.2	-7.2	0	0	112.4	L103 V104 E105 L126 H130 V157	L103-Q128 HydrophobicContact CD2-CG 4.29Å; V104-Q128 CarbonylContact O-C 3.54Å; V104-Q128 WeakPolarHBondContact O-CA 3.32Å; V104-Q128 VanDerWaalsContact O-CB 3.32Å; V104-Q128 WeakPolarHBondContact O-CB 3.22Å; E105-Q128 HydrophobicContact CG-CB 4.23Å; L126-Q128 WeakPolarHBondContact CD1-O 3.09Å; Q128-H130 PolarHBondContact NE2-ND1 3.33Å; Q128-H130 PolarHBondContact OE1-ND1 3.04Å; Q128-V157 HydrophobicContact CG-CB 4.37Å; Q128-V157 VanDerWaalsContact NE2-CG2 3.28Å; Q128-V157 PolarHBondContact O-N 3.37Å
129	F	98.8	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.2	155.4	70.7	-108.3	0	0	0	111.7	V104 Y106 F131 L154 H155 L156 L196 F215 P217 L220	V104-F129 HydrophobicContact CB-CD1 4.18Å; V104-F129 HydrophobicContact CB-CD2 4.15Å; V104-F129 HydrophobicContact CB-CE1 3.75Å; V104-F129 HydrophobicContact CB-CE2 3.64Å; V104-F129 HydrophobicContact CB-CG 4.37Å; V104-F129 HydrophobicContact CB-CZ 3.45Å; V104-F129 VanDerWaalsContact CB-CZ 3.45Å; V104-F129 HydrophobicContact CG1-CD1 4.47Å; V104-F129 HydrophobicContact CG1-CE1 3.79Å; V104-F129 HydrophobicContact CG1-CE2 4.44Å; V104-F129 HydrophobicContact CG1-CZ 3.76Å; V104-F129 HydrophobicContact CG2-CD2 4.3Å; V104-F129 HydrophobicContact CG2-CE1 4.27Å; V104-F129 HydrophobicContact CG2-CE2 3.45Å; V104-F129 VanDerWaalsContact CG2-CE2 3.45Å; V104-F129 HydrophobicContact CG2-CZ 3.46Å; V104-F129 VanDerWaalsContact CG2-CZ 3.46Å; V104-F129 PolarHBondContact N-O 3.44Å; V104-F129 PolarHBondContact O-N 3.36Å; Y106-F129 AromaticContact CE2-CD1 3.79Å; Y106-F129 HydrophobicContact CE2-CD1 3.79Å; Y106-F129 AromaticContact CE2-CE1 3.83Å; Y106-F129 HydrophobicContact CE2-CE1 3.83Å; Y106-F129 WeakPolarHBondContact OH-CE1 3.22Å; F129-F131 HydrophobicContact CD2-CD2 4.41Å; F129-F131 AromaticContact CD2-CE2 3.83Å; F129-F131 HydrophobicContact CD2-CE2 3.83Å; F129-F131 AromaticContact CE2-CE2 3.72Å; F129-F131 HydrophobicContact CE2-CE2 3.72Å; F129-L154 HydrophobicContact CB-CD1 3.9Å; F129-L154 HydrophobicContact CD2-CD1 3.76Å; F129-L154 HydrophobicContact CG-CD1 4.04Å; F129-H155 CarbonylContact C-O 3.56Å; F129-H155 WeakPolarHBondContact CA-O 3.32Å; F129-H155 WeakPolarHBondContact CB-O 3.23Å; F129-L156 HydrophobicContact CB-CB 4.37Å; F129-L156 HydrophobicContact CB-CG 4.03Å; F129-L196 HydrophobicContact CE2-CD1 3.5Å; F129-L196 HydrophobicContact CZ-CD1 3.75Å; F129-F215 AromaticContact CE1-CD1 3.9Å; F129-F215 HydrophobicContact CE1-CD1 3.9Å; F129-F215 AromaticContact CE1-CE1 3.75Å; F129-F215 HydrophobicContact CE1-CE1 3.75Å; F129-F215 HydrophobicContact CZ-CD1 4.02Å; F129-F215 AromaticContact CZ-CE1 3.64Å; F129-F215 HydrophobicContact CZ-CE1 3.64Å; F129-F215 HydrophobicContact CZ-CZ 4.34Å; F129-P217 HydrophobicContact CD1-CB 4.22Å; F129-P217 HydrophobicContact CE1-CB 4.28Å; F129-L220 HydrophobicContact CE1-CD1 4.41Å; F129-L220 HydrophobicContact CE2-CD1 4.34Å; F129-L220 HydrophobicContact CZ-CD1 4.13Å
130	H	98.9	Very high	97.4	Very high	20 Å²	20	34 Å²	34	9%	0.093	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	176	175.2	59.9	-76.7	0	0	0	110.6	F102 L103 Q128 H132 L154 H155	F102-H130 WeakPolarHBondContact O-CB 3.4Å; L103-H130 HydrophobicContact CG-CB 4.33Å; Q128-H130 PolarHBondContact NE2-ND1 3.33Å; Q128-H130 PolarHBondContact OE1-ND1 3.04Å; H130-H132 AromaticContact CD2-NE2 3.62Å; H130-H132 AromaticContact NE2-NE2 3.48Å; H130-H132 PolarHBondContact NE2-NE2 2.72Å; H130-L154 WeakPolarHBondContact O-CD1 3.35Å; H130-H155 PolarHBondContact N-O 3.19Å; H130-H155 AromaticContact NE2-ND1 3.58Å; H130-H155 PolarHBondContact O-N 2.85Å
131	F	98.8	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.9	-179.7	-64.9	-106.8	0	0	0	111.9	S101 F102 F129 W133 E153 L154 L184 L193 L196 L220 F263 N282	S101-F131 PolarHBondContact OG-O 2.67Å; F102-F131 HydrophobicContact CE1-CD2 4.14Å; F102-F131 AromaticContact CE2-CD2 3.8Å; F102-F131 HydrophobicContact CE2-CD2 3.8Å; F102-F131 HydrophobicContact CE2-CE2 4.05Å; F102-F131 HydrophobicContact CZ-CB 4.49Å; F102-F131 AromaticContact CZ-CD2 3.3Å; F102-F131 HydrophobicContact CZ-CD2 3.3Å; F102-F131 AromaticContact CZ-CE2 3.74Å; F102-F131 HydrophobicContact CZ-CE2 3.74Å; F102-F131 HydrophobicContact CZ-CG 4.18Å; F129-F131 HydrophobicContact CD2-CD2 4.41Å; F129-F131 AromaticContact CD2-CE2 3.83Å; F129-F131 HydrophobicContact CD2-CE2 3.83Å; F129-F131 AromaticContact CE2-CE2 3.72Å; F129-F131 HydrophobicContact CE2-CE2 3.72Å; F131-W133 HydrophobicContact CB-CE3 3.79Å; F131-W133 HydrophobicContact CB-CZ3 3.88Å; F131-W133 VanDerWaalsContact O-CZ3 3.25Å; F131-W133 WeakPolarHBondContact O-CZ3 3.46Å; F131-E153 CarbonylContact C-O 3.55Å; F131-E153 VanDerWaalsContact CA-O 3.29Å; F131-E153 WeakPolarHBondContact CA-O 3.43Å; F131-L154 HydrophobicContact CD1-CB 3.77Å; F131-L154 HydrophobicContact CD1-CD1 4.28Å; F131-L154 HydrophobicContact CD2-CD1 4.15Å; F131-L154 HydrophobicContact CE1-CB 3.59Å; F131-L154 HydrophobicContact CE1-CD1 3.92Å; F131-L154 HydrophobicContact CE1-CD2 4.24Å; F131-L154 HydrophobicContact CE1-CG 4.12Å; F131-L154 HydrophobicContact CE2-CD1 3.78Å; F131-L154 HydrophobicContact CG-CD1 4.4Å; F131-L154 HydrophobicContact CZ-CB 4.22Å; F131-L154 HydrophobicContact CZ-CD1 3.66Å; F131-L154 HydrophobicContact CZ-CD2 4.2Å; F131-L154 HydrophobicContact CZ-CG 4.24Å; F131-L184 HydrophobicContact CD1-CD1 4.16Å; F131-L184 HydrophobicContact CD1-CD2 3.99Å; F131-L184 HydrophobicContact CE1-CD1 4.01Å; F131-L184 HydrophobicContact CE1-CD2 3.76Å; F131-L193 HydrophobicContact CZ-CD1 3.9Å; F131-L196 HydrophobicContact CE2-CD1 3.9Å; F131-L196 HydrophobicContact CZ-CD1 4.42Å; F131-L220 HydrophobicContact CZ-CD1 4.23Å; F131-F263 HydrophobicContact CB-CD1 4.44Å; F131-F263 HydrophobicContact CB-CE1 4.01Å; F131-F263 AromaticContact CD1-CE1 3.81Å; F131-F263 HydrophobicContact CD1-CE1 3.81Å; F131-F263 HydrophobicContact CD1-CZ 4.44Å; F131-F263 AromaticContact CD2-CE1 3.94Å; F131-F263 HydrophobicContact CD2-CE1 3.94Å; F131-F263 HydrophobicContact CE1-CE1 4.17Å; F131-F263 HydrophobicContact CE1-CZ 4.35Å; F131-F263 HydrophobicContact CE2-CE1 4.29Å; F131-F263 HydrophobicContact CE2-CZ 4.45Å; F131-F263 AromaticContact CG-CE1 3.68Å; F131-F263 HydrophobicContact CG-CE1 3.68Å; F131-F263 HydrophobicContact CZ-CE1 4.4Å; F131-F263 HydrophobicContact CZ-CZ 4.36Å; F131-N282 PolarHBondContact O-ND2 3.34Å
132	H	98.8	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.9	164.2	-62.7	-92.7	0	0	0	108.9	Y100 H130 G140 E142 A152 E153 H155 N282 F283	Y100-H132 AromaticContact CE1-CE1 3.77Å; H130-H132 AromaticContact CD2-NE2 3.62Å; H130-H132 AromaticContact NE2-NE2 3.48Å; H130-H132 PolarHBondContact NE2-NE2 2.72Å; H132-G140 CarbonylContact C-O 3.44Å; H132-E142 HydrophobicContact CB-CG 3.73Å; H132-E142 IonicContact CD2-OE2 3.14Å; H132-E142 VanDerWaalsContact CE1-CD 3.48Å; H132-E142 IonicContact CE1-OE1 3.92Å; H132-E142 PolarHBondContact CE1-OE1 3.07Å; H132-E142 IonicContact CE1-OE2 3.97Å; H132-E142 IonicContact CG-OE1 2.64Å; H132-E142 IonicContact ND1-OE1 3.61Å; H132-E142 PolarHBondContact ND1-OE1 2.7Å; H132-E142 IonicContact NE2-OE1 3.76Å; H132-E142 IonicContact NE2-OE2 3.45Å; H132-E142 PolarHBondContact NE2-OE2 3.49Å; H132-A152 CarbonylContact O-C 3.59Å; H132-A152 WeakPolarHBondContact O-CA 3.42Å; H132-A152 WeakPolarHBondContact O-CB 3.45Å; H132-E153 PolarHBondContact N-O 3.49Å; H132-E153 PolarHBondContact O-N 3.18Å; H132-H155 AromaticContact CD2-CE1 3.35Å; H132-H155 PolarHBondContact CD2-CE1 2.78Å; H132-H155 AromaticContact CD2-ND1 3.49Å; H132-H155 PolarHBondContact CD2-ND1 3.22Å; H132-H155 AromaticContact NE2-CE1 3.49Å; H132-H155 PolarHBondContact NE2-CE1 2.96Å; H132-H155 AromaticContact NE2-ND1 3.41Å; H132-H155 PolarHBondContact NE2-ND1 2.91Å; H132-N282 PolarHBondContact ND1-O 3.23Å; H132-F283 HydrophobicContact CB-CB 4.14Å
133	W	98.8	Very high	97.7	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.9	-178.6	62.8	90.7	0	0	0	112.9	S101 F102 F131 P151 A152 F263 L266 M279 N281 N282	S101-W133 WeakPolarHBondContact OG-CZ3 3.29Å; F102-W133 AromaticContact CD1-CH2 3.83Å; F102-W133 HydrophobicContact CD1-CH2 3.83Å; F102-W133 HydrophobicContact CD1-CZ3 4.07Å; F102-W133 HydrophobicContact CE1-CH2 4.03Å; F102-W133 AromaticContact CE1-CZ3 3.91Å; F102-W133 HydrophobicContact CE1-CZ3 3.91Å; F131-W133 HydrophobicContact CB-CE3 3.79Å; F131-W133 HydrophobicContact CB-CZ3 3.88Å; F131-W133 VanDerWaalsContact O-CZ3 3.25Å; F131-W133 WeakPolarHBondContact O-CZ3 3.46Å; W133-P151 WeakPolarHBondContact CA-O 3.48Å; W133-A152 HydrophobicContact CB-CB 3.76Å; W133-F263 HydrophobicContact CD2-CB 4.22Å; W133-F263 HydrophobicContact CD2-CD1 4.19Å; W133-F263 AromaticContact CE3-CD1 3.94Å; W133-F263 HydrophobicContact CE3-CD1 3.94Å; W133-F263 HydrophobicContact CG-CB 4.42Å; W133-F263 HydrophobicContact CZ3-CD1 4.23Å; W133-L266 HydrophobicContact CH2-CD1 4Å; W133-L266 HydrophobicContact CZ2-CD1 4.06Å; W133-M279 HydrophobicContact CH2-CG 3.99Å; W133-M279 HydrophobicContact CH2-SD 3.41Å; W133-M279 WeakPolarHBondContact CH2-SD 3.26Å; W133-M279 HydrophobicContact CZ2-CB 4.1Å; W133-M279 HydrophobicContact CZ2-CG 3.45Å; W133-M279 VanDerWaalsContact CZ2-CG 3.45Å; W133-M279 HydrophobicContact CZ2-SD 3.43Å; W133-M279 WeakPolarHBondContact CZ2-SD 3.08Å; W133-M279 PolarHBondContact NE1-O 3.41Å; W133-N281 WeakPolarHBondContact O-CA 3.31Å; W133-N281 PolarHBondContact O-N 3.36Å; W133-N282 WeakPolarHBondContact CZ3-ND2 3.36Å; W133-N282 PolarHBondContact N-OD1 3.18Å; W133-N282 PolarHBondContact O-N 2.89Å; W133-N282 PolarHBondContact O-OD1 3.29Å; W133-N282 VanDerWaalsContact O-OD1 3.09Å
134	G	97.2	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.			trans	-100.4	169.7	177.5	0	0	0	0	0	112.7	S136 W139 P151 R264 N281	G134-S136 PolarHBondContact O-N 2.91Å; G134-W139 VanDerWaalsContact CA-O 3.27Å; G134-W139 WeakPolarHBondContact CA-O 3.22Å; G134-W139 PolarHBondContact N-O 3.17Å; G134-P151 PolarHBondContact N-O 2.89Å; G134-R264 PolarHBondContact O-NE 3.39Å; G134-N281 VanDerWaalsContact CA-OD1 3.29Å; G134-N281 WeakPolarHBondContact CA-OD1 3.17Å
135	E	96.8	Very high	97.6	Very high	102 Å²	102	23.6 Å²	23.6	48%	0.477	12%	0.117	S	C	.	.	S	Bend	trans	-68.9	-23.7	174.2	70.4	-170.1	129.3	0	0	113.2	W139 R264 V280 N281	E135-W139 HydrophobicContact CG-CZ2 3.86Å; E135-R264 WeakPolarHBondContact O-CD 3.5Å; E135-R264 PolarHBondContact O-NE 2.9Å; E135-V280 HydrophobicContact CB-CB 3.88Å; E135-V280 HydrophobicContact CB-CG1 4.26Å; E135-V280 HydrophobicContact CB-CG2 3.96Å; E135-N281 PolarHBondContact N-OD1 3.3Å; E135-N281 PolarHBondContact OE1-ND2 3.44Å
136	S	94.7	Very high	97.5	Very high	25 Å²	25	25.4 Å²	25.4	18%	0.175	13%	0.13	C	C	.	.	S	Bend	trans	-122.1	171.8	-178	82.8	0	0	0	0	111.6	G134 D138 W139 R264	G134-S136 PolarHBondContact O-N 2.91Å; S136-D138 PolarHBondContact O-N 3.13Å; S136-D138 PolarHBondContact OG-N 3.2Å; S136-W139 VanDerWaalsContact O-O 3.12Å; S136-W139 WeakPolarHBondContact OG-CH2 3.47Å; S136-W139 WeakPolarHBondContact OG-CZ2 3.48Å; S136-W139 WeakPolarHBondContact OG-CZ3 3.39Å; S136-R264 PolarHBondContact O-NH2 3.13Å
137	N	96.9	Very high	97.3	Very high	56 Å²	56	34.2 Å²	34.2	30%	0.299	16%	0.163	S	C	.	.	S	Bend	trans	-79.9	-3.6	176.2	-62	-22.9	0	0	0	113	P151 V186 H257 R264	N137-P151 VanDerWaalsContact O-CG 3.28Å; N137-P151 WeakPolarHBondContact O-CG 3.29Å; N137-V186 HydrophobicContact CB-CG2 3.88Å; N137-H257 PolarHBondContact ND2-ND1 3.28Å; N137-R264 PolarHBondContact OD1-NH1 2.85Å; N137-R264 PolarHBondContact OD1-NH2 2.92Å
138	D	93.7	Very high	97.1	Very high	119 Å²	119	42.7 Å²	42.7	64%	0.636	19%	0.193	S	C	*	.	S	Bend	trans	-89.6	-20.3	-174.8	-59.7	-43.7	0	0	0	112.2	S136	S136-D138 PolarHBondContact O-N 3.13Å; S136-D138 PolarHBondContact OG-N 3.2Å
139	W	95.6	Very high	96.9	Very high	61 Å²	61	43.3 Å²	43.3	23%	0.231	20%	0.197	C	C	.	.			trans	-154.8	166.4	-178.6	61.3	80.9	0	0	0	112.9	H49 G134 E135 S136 L149 F150 P151 N281 F283	H49-W139 AromaticContact CD2-CD1 3.69Å; H49-W139 AromaticContact CD2-CE2 3.64Å; H49-W139 AromaticContact CD2-NE1 3.38Å; H49-W139 PolarHBondContact CD2-NE1 2.9Å; H49-W139 AromaticContact NE2-NE1 3.58Å; G134-W139 VanDerWaalsContact CA-O 3.27Å; G134-W139 WeakPolarHBondContact CA-O 3.22Å; G134-W139 PolarHBondContact N-O 3.17Å; E135-W139 HydrophobicContact CG-CZ2 3.86Å; S136-W139 VanDerWaalsContact O-O 3.12Å; S136-W139 WeakPolarHBondContact OG-CH2 3.47Å; S136-W139 WeakPolarHBondContact OG-CZ2 3.48Å; S136-W139 WeakPolarHBondContact OG-CZ3 3.39Å; W139-L149 HydrophobicContact CB-CB 4.17Å; W139-L149 HydrophobicContact CB-CD1 3.85Å; W139-L149 HydrophobicContact CB-CG 4.47Å; W139-F150 CarbonylContact C-O 3.49Å; W139-P151 WeakPolarHBondContact O-CA 3.43Å; W139-N281 PolarHBondContact NE1-OD1 3.47Å; W139-N281 VanDerWaalsContact NE1-OD1 3.14Å; W139-F283 AromaticContact CD1-CE1 3.85Å; W139-F283 AromaticContact CD1-CZ 3.82Å
140	G	96.9	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.204	C	C	.	.			trans	150.5	-22	177.6	0	0	0	0	0	115.3	H132 F150 P151 F283	H132-G140 CarbonylContact C-O 3.44Å; G140-F150 CarbonylContact C-O 3.55Å; G140-F150 WeakPolarHBondContact CA-O 3.36Å; G140-F150 PolarHBondContact N-O 2.76Å; G140-P151 WeakPolarHBondContact CA-O 3.39Å; G140-F283 WeakPolarHBondContact O-CB 3.42Å; G140-F283 WeakPolarHBondContact O-CD1 3.41Å
141	S	98.5	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.202	C	C	.	.			trans	-67.2	150.2	172.2	66.8	0	0	0	0	111.8	H143 F150 E153	S141-H143 WeakPolarHBondContact CB-O 3.15Å; S141-H143 PolarHBondContact OG-O 2.6Å; S141-F150 PolarHBondContact N-O 3.18Å; S141-F150 PolarHBondContact OG-N 3.44Å; S141-E153 WeakPolarHBondContact CB-OE2 3.36Å
142	E	98.3	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-83.4	-51.4	176.5	-65.3	-138.5	115.5	0	0	109.8	P66 H132 E153 H155 T236 F283 R284 Q286	P66-E142 HydrophobicContact CB-CB 3.77Å; P66-E142 VanDerWaalsContact CB-O 3.29Å; P66-E142 WeakPolarHBondContact CB-O 3.45Å; P66-E142 HydrophobicContact CG-CB 3.75Å; P66-E142 WeakPolarHBondContact CG-O 3.42Å; H132-E142 HydrophobicContact CB-CG 3.73Å; H132-E142 IonicContact CD2-OE2 3.14Å; H132-E142 VanDerWaalsContact CE1-CD 3.48Å; H132-E142 IonicContact CE1-OE1 3.92Å; H132-E142 PolarHBondContact CE1-OE1 3.07Å; H132-E142 IonicContact CE1-OE2 3.97Å; H132-E142 IonicContact CG-OE1 2.64Å; H132-E142 IonicContact ND1-OE1 3.61Å; H132-E142 PolarHBondContact ND1-OE1 2.7Å; H132-E142 IonicContact NE2-OE1 3.76Å; H132-E142 IonicContact NE2-OE2 3.45Å; H132-E142 PolarHBondContact NE2-OE2 3.49Å; E142-E153 PolarHBondContact N-OE2 3.47Å; E142-H155 IonicContact OE2-CE1 2.71Å; E142-H155 PolarHBondContact OE2-CE1 2.81Å; E142-T236 WeakPolarHBondContact OE2-CB 3.32Å; E142-T236 WeakPolarHBondContact OE2-CG2 3.26Å; E142-T236 PolarHBondContact OE2-OG1 2.74Å; E142-F283 HydrophobicContact CG-CB 3.83Å; E142-F283 WeakPolarHBondContact OE1-CA 3.43Å; E142-R284 WeakPolarHBondContact OE1-CB 3.18Å; E142-R284 PolarHBondContact OE1-N 3.14Å; E142-Q286 PolarHBondContact O-NE2 3.06Å
143	H	98.8	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-73.5	156.4	170.8	-68.6	88.4	0	0	0	110.9	S141 E153 F183 Y231 W246	S141-H143 WeakPolarHBondContact CB-O 3.15Å; S141-H143 PolarHBondContact OG-O 2.6Å; H143-E153 IonicContact CE1-OE1 3.97Å; H143-E153 IonicContact CG-OE1 3.76Å; H143-E153 PolarHBondContact N-OE2 2.76Å; H143-E153 IonicContact ND1-OE1 3.43Å; H143-E153 PolarHBondContact ND1-OE1 3.26Å; H143-E153 IonicContact ND1-OE2 3.78Å; H143-F183 HydrophobicContact CB-CE1 3.73Å; H143-F183 HydrophobicContact CB-CZ 3.6Å; H143-Y231 AromaticContact NE2-CE1 3.54Å; H143-Y231 AromaticContact NE2-CZ 3.49Å; H143-Y231 PolarHBondContact NE2-OH 3.46Å; H143-W246 AromaticContact CE1-CD2 3.7Å; H143-W246 AromaticContact CE1-CE2 3.96Å; H143-W246 AromaticContact CE1-CE3 3.45Å; H143-W246 VanDerWaalsContact CE1-CE3 3.45Å; H143-W246 AromaticContact CE1-CH2 3.82Å; H143-W246 AromaticContact CE1-CZ3 3.51Å
144	T	98.1	Very high	96.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.9	169	47	0	0	0	0	109.9	I67 D68 I69 R148 L149	I67-T144 PolarHBondContact O-N 3.33Å; D68-T144 WeakPolarHBondContact CA-OG1 3.38Å; D68-T144 WeakPolarHBondContact CB-OG1 3.42Å; D68-T144 PolarHBondContact OD1-OG1 3.03Å; I69-T144 WeakPolarHBondContact CB-O 3.41Å; I69-T144 PolarHBondContact N-O 2.94Å; T144-R148 VanDerWaalsContact CA-O 3.29Å; T144-R148 WeakPolarHBondContact CA-O 3.44Å; T144-R148 WeakPolarHBondContact CB-O 3.41Å; T144-R148 WeakPolarHBondContact CG2-O 3.49Å; T144-L149 HydrophobicContact CG2-CD2 3.33Å; T144-L149 HydrophobicContact CG2-CG 3.65Å
145	V	97.7	Very high	97	Very high	25 Å²	25	44.4 Å²	44.4	15%	0.152	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.3	174.1	-177.6	0	0	0	0	108.2	V71 R147 R148 F183 W229	V71-V145 HydrophobicContact CG2-CG1 3.43Å; V71-V145 VanDerWaalsContact CG2-CG1 3.43Å; V145-R147 PolarHBondContact O-N 3.33Å; V145-R148 PolarHBondContact N-O 3.39Å; V145-R148 VanDerWaalsContact N-O 3.12Å; V145-R148 VanDerWaalsContact O-CB 3.29Å; V145-R148 WeakPolarHBondContact O-CB 3.42Å; V145-R148 PolarHBondContact O-N 3.18Å; V145-F183 HydrophobicContact CG2-CE2 3.65Å; V145-F183 HydrophobicContact CG2-CZ 3.9Å; V145-W229 HydrophobicContact CG1-CH2 3.91Å; V145-W229 HydrophobicContact CG1-CZ2 4.38Å; V145-W229 HydrophobicContact CG2-CH2 4.15Å; V145-W229 HydrophobicContact CG2-CZ3 4.02Å
146	D	95.6	Very high	97.1	Very high	81 Å²	81	39.5 Å²	39.5	43%	0.433	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	45.1	-169.1	-67.2	-34	0	0	0	112	D68 I69 A70 V71 R148	D68-D146 PolarHBondContact OD1-N 3.35Å; I69-D146 PolarHBondContact O-N 3.27Å; A70-D146 WeakPolarHBondContact CA-OD1 3.35Å; V71-D146 WeakPolarHBondContact CG2-OD2 3.36Å; V71-D146 PolarHBondContact N-OD1 2.9Å; D146-R148 PolarHBondContact O-N 2.85Å
147	R	94.5	Very high	97.3	Very high	184 Å²	184	38.5 Å²	38.5	69%	0.694	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	13.8	-177.6	-53	-179.7	176.2	-174.1	-4.2	115.8	D68 V145	D68-R147 WeakPolarHBondContact OD1-CA 3.23Å; D68-R147 PolarHBondContact OD1-N 3.19Å; D68-R147 WeakPolarHBondContact OD2-CG 3.38Å; V145-R147 PolarHBondContact O-N 3.33Å
148	R	93.7	Very high	97.3	Very high	193 Å²	193	35.9 Å²	35.9	73%	0.728	16%	0.159	S	C	*	.	B	Isolated β-bridge	trans	-87.8	133.9	172.2	-59.4	-177.2	178.4	-166.6	-0.8	109.8	T144 V145 D146	T144-R148 VanDerWaalsContact CA-O 3.29Å; T144-R148 WeakPolarHBondContact CA-O 3.44Å; T144-R148 WeakPolarHBondContact CB-O 3.41Å; T144-R148 WeakPolarHBondContact CG2-O 3.49Å; V145-R148 PolarHBondContact N-O 3.39Å; V145-R148 VanDerWaalsContact N-O 3.12Å; V145-R148 VanDerWaalsContact O-CB 3.29Å; V145-R148 WeakPolarHBondContact O-CB 3.42Å; V145-R148 PolarHBondContact O-N 3.18Å; D146-R148 PolarHBondContact O-N 2.85Å
149	L	94.3	Very high	97.6	Very high	41 Å²	41	30.7 Å²	30.7	22%	0.215	13%	0.13	C	C	.	.			trans	-96.4	158.3	177.4	-70.9	154.8	0	0	0	110.3	W52 W139 T144	W52-L149 HydrophobicContact CZ2-CD1 4.42Å; W52-L149 HydrophobicContact CZ2-CD2 4.48Å; W139-L149 HydrophobicContact CB-CB 4.17Å; W139-L149 HydrophobicContact CB-CD1 3.85Å; W139-L149 HydrophobicContact CB-CG 4.47Å; T144-L149 HydrophobicContact CG2-CD2 3.33Å; T144-L149 HydrophobicContact CG2-CG 3.65Å
150	F	98.3	Very high	97.7	Very high	33 Å²	33	27.8 Å²	27.8	15%	0.145	12%	0.119	C	C	.	.			trans	-117.1	155.4	169.2	-68.4	-97.7	0	0	0	109.7	W139 G140 S141 A152 F183 K185 H252	W139-F150 CarbonylContact C-O 3.49Å; G140-F150 CarbonylContact C-O 3.55Å; G140-F150 WeakPolarHBondContact CA-O 3.36Å; G140-F150 PolarHBondContact N-O 2.76Å; S141-F150 PolarHBondContact N-O 3.18Å; S141-F150 PolarHBondContact OG-N 3.44Å; F150-A152 PolarHBondContact O-N 3.47Å; F150-F183 HydrophobicContact CB-CB 4.16Å; F150-F183 HydrophobicContact CB-CD1 4.09Å; F150-F183 HydrophobicContact CB-CG 4.46Å; F150-F183 HydrophobicContact CD1-CB 3.79Å; F150-F183 HydrophobicContact CD1-CG 4.39Å; F150-F183 HydrophobicContact CD2-CB 3.8Å; F150-F183 AromaticContact CD2-CD1 3.36Å; F150-F183 HydrophobicContact CD2-CD1 3.36Å; F150-F183 HydrophobicContact CD2-CD2 4.1Å; F150-F183 AromaticContact CD2-CE1 3.89Å; F150-F183 HydrophobicContact CD2-CE1 3.89Å; F150-F183 AromaticContact CD2-CG 3.47Å; F150-F183 HydrophobicContact CD2-CG 3.47Å; F150-F183 VanDerWaalsContact CD2-CG 3.47Å; F150-F183 HydrophobicContact CD2-CZ 4.45Å; F150-F183 HydrophobicContact CE1-CB 4.05Å; F150-F183 HydrophobicContact CE2-CB 4.06Å; F150-F183 AromaticContact CE2-CD1 3.93Å; F150-F183 HydrophobicContact CE2-CD1 3.93Å; F150-F183 AromaticContact CE2-CD2 3.8Å; F150-F183 HydrophobicContact CE2-CD2 3.8Å; F150-F183 HydrophobicContact CE2-CE1 4.31Å; F150-F183 HydrophobicContact CE2-CE2 4.19Å; F150-F183 AromaticContact CE2-CG 3.65Å; F150-F183 HydrophobicContact CE2-CG 3.65Å; F150-F183 HydrophobicContact CE2-CZ 4.43Å; F150-F183 HydrophobicContact CG-CB 3.65Å; F150-F183 AromaticContact CG-CD1 3.86Å; F150-F183 HydrophobicContact CG-CD1 3.86Å; F150-F183 AromaticContact CG-CG 3.88Å; F150-F183 HydrophobicContact CG-CG 3.88Å; F150-F183 HydrophobicContact CZ-CB 4.17Å; F150-F183 HydrophobicContact CZ-CD2 4.25Å; F150-F183 HydrophobicContact CZ-CG 4.19Å; F150-K185 HydrophobicContact CD1-CB 4.22Å; F150-H252 HydrophobicContact CD1-CB 4.42Å; F150-H252 HydrophobicContact CE1-CB 3.98Å; F150-H252 AromaticContact CE1-CG 4Å; F150-H252 AromaticContact CE1-ND1 3.98Å
151	P	98.5	Very high	97.7	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.052	13%	0.125	C	C	.	.	S	Bend	trans	-55.8	-29.2	177.4	-12.9	6.1	0	0	0	115.4	W133 G134 N137 W139 G140 L184 V186 L260	W133-P151 WeakPolarHBondContact CA-O 3.48Å; G134-P151 PolarHBondContact N-O 2.89Å; N137-P151 VanDerWaalsContact O-CG 3.28Å; N137-P151 WeakPolarHBondContact O-CG 3.29Å; W139-P151 WeakPolarHBondContact O-CA 3.43Å; G140-P151 WeakPolarHBondContact CA-O 3.39Å; P151-L184 VanDerWaalsContact CD-O 3.22Å; P151-L184 WeakPolarHBondContact CD-O 3.39Å; P151-L184 WeakPolarHBondContact CG-O 3.47Å; P151-V186 HydrophobicContact CG-CG2 3.98Å; P151-L260 HydrophobicContact CB-CD1 3.75Å; P151-L260 HydrophobicContact CG-CD1 4.32Å
152	A	98.8	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	164.8	179.6	0	0	0	0	0	111.6	H132 W133 F150 L184 L260	H132-A152 CarbonylContact O-C 3.59Å; H132-A152 WeakPolarHBondContact O-CA 3.42Å; H132-A152 WeakPolarHBondContact O-CB 3.45Å; W133-A152 HydrophobicContact CB-CB 3.76Å; F150-A152 PolarHBondContact O-N 3.47Å; A152-L184 HydrophobicContact CB-CB 3.96Å; A152-L184 HydrophobicContact CB-CD2 4.1Å; A152-L184 HydrophobicContact CB-CG 4.46Å; A152-L184 PolarHBondContact O-N 2.88Å; A152-L260 HydrophobicContact CB-CD2 4Å
153	E	98.9	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132	175.6	-170	176.6	141.9	0	0	110	F131 H132 S141 E142 H143 H155 I182 F183	F131-E153 CarbonylContact C-O 3.55Å; F131-E153 VanDerWaalsContact CA-O 3.29Å; F131-E153 WeakPolarHBondContact CA-O 3.43Å; H132-E153 PolarHBondContact N-O 3.49Å; H132-E153 PolarHBondContact O-N 3.18Å; S141-E153 WeakPolarHBondContact CB-OE2 3.36Å; E142-E153 PolarHBondContact N-OE2 3.47Å; H143-E153 IonicContact CE1-OE1 3.97Å; H143-E153 IonicContact CG-OE1 3.76Å; H143-E153 PolarHBondContact N-OE2 2.76Å; H143-E153 IonicContact ND1-OE1 3.43Å; H143-E153 PolarHBondContact ND1-OE1 3.26Å; H143-E153 IonicContact ND1-OE2 3.78Å; E153-H155 IonicContact OE1-CD2 3.32Å; E153-H155 IonicContact OE1-CE1 2.74Å; E153-H155 IonicContact OE1-NE2 3.14Å; E153-H155 PolarHBondContact OE1-NE2 3.2Å; E153-I182 WeakPolarHBondContact CA-O 3.22Å; E153-F183 HydrophobicContact CG-CD1 4.23Å; E153-F183 HydrophobicContact CG-CE1 4.41Å; E153-F183 WeakPolarHBondContact OE2-CE1 3.09Å
154	L	98.9	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.4	174.4	165.2	59.1	0	0	0	109.5	F129 H130 F131 L156 G181 I182 L184 L220	F129-L154 HydrophobicContact CB-CD1 3.9Å; F129-L154 HydrophobicContact CD2-CD1 3.76Å; F129-L154 HydrophobicContact CG-CD1 4.04Å; H130-L154 WeakPolarHBondContact O-CD1 3.35Å; F131-L154 HydrophobicContact CD1-CB 3.77Å; F131-L154 HydrophobicContact CD1-CD1 4.28Å; F131-L154 HydrophobicContact CD2-CD1 4.15Å; F131-L154 HydrophobicContact CE1-CB 3.59Å; F131-L154 HydrophobicContact CE1-CD1 3.92Å; F131-L154 HydrophobicContact CE1-CD2 4.24Å; F131-L154 HydrophobicContact CE1-CG 4.12Å; F131-L154 HydrophobicContact CE2-CD1 3.78Å; F131-L154 HydrophobicContact CG-CD1 4.4Å; F131-L154 HydrophobicContact CZ-CB 4.22Å; F131-L154 HydrophobicContact CZ-CD1 3.66Å; F131-L154 HydrophobicContact CZ-CD2 4.2Å; F131-L154 HydrophobicContact CZ-CG 4.24Å; L154-L156 HydrophobicContact CD1-CD1 4.25Å; L154-L156 HydrophobicContact CD2-CD1 3.81Å; L154-L156 HydrophobicContact CG-CD1 3.75Å; L154-G181 CarbonylContact O-C 3.5Å; L154-G181 WeakPolarHBondContact O-CA 3.43Å; L154-I182 HydrophobicContact CB-CB 4.23Å; L154-I182 HydrophobicContact CD2-CB 4.42Å; L154-I182 HydrophobicContact CD2-CD1 4.18Å; L154-I182 PolarHBondContact N-O 3.04Å; L154-I182 PolarHBondContact O-N 3.29Å; L154-L184 HydrophobicContact CB-CD1 3.93Å; L154-L220 HydrophobicContact CD2-CB 3.71Å; L154-L220 HydrophobicContact CD2-CD1 3.82Å; L154-L220 HydrophobicContact CD2-CG 4.41Å
155	H	98.9	Very high	97.3	Very high	3 Å²	3	46 Å²	46	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.9	169.7	-65.2	164.6	0	0	0	110.9	F129 H130 H132 E142 E153 V157 V179 I180 W246	F129-H155 CarbonylContact C-O 3.56Å; F129-H155 WeakPolarHBondContact CA-O 3.32Å; F129-H155 WeakPolarHBondContact CB-O 3.23Å; H130-H155 PolarHBondContact N-O 3.19Å; H130-H155 AromaticContact NE2-ND1 3.58Å; H130-H155 PolarHBondContact O-N 2.85Å; H132-H155 AromaticContact CD2-CE1 3.35Å; H132-H155 PolarHBondContact CD2-CE1 2.78Å; H132-H155 AromaticContact CD2-ND1 3.49Å; H132-H155 PolarHBondContact CD2-ND1 3.22Å; H132-H155 AromaticContact NE2-CE1 3.49Å; H132-H155 PolarHBondContact NE2-CE1 2.96Å; H132-H155 AromaticContact NE2-ND1 3.41Å; H132-H155 PolarHBondContact NE2-ND1 2.91Å; E142-H155 IonicContact OE2-CE1 2.71Å; E142-H155 PolarHBondContact OE2-CE1 2.81Å; E153-H155 IonicContact OE1-CD2 3.32Å; E153-H155 IonicContact OE1-CE1 2.74Å; E153-H155 IonicContact OE1-NE2 3.14Å; E153-H155 PolarHBondContact OE1-NE2 3.2Å; H155-V157 HydrophobicContact CB-CG2 4.49Å; H155-V179 HydrophobicContact CB-CG1 3.8Å; H155-I180 WeakPolarHBondContact CA-O 3.21Å; H155-W246 AromaticContact CD2-CH2 3.67Å; H155-W246 AromaticContact CD2-CZ3 3.62Å; H155-W246 AromaticContact CE1-CH2 3.42Å; H155-W246 VanDerWaalsContact CE1-CH2 3.42Å; H155-W246 WeakPolarHBondContact CE1-CH2 3.11Å; H155-W246 AromaticContact CG-CH2 3.87Å; H155-W246 AromaticContact ND1-CH2 3.69Å; H155-W246 AromaticContact NE2-CH2 3.38Å; H155-W246 WeakPolarHBondContact NE2-CH2 3.39Å; H155-W246 AromaticContact NE2-CZ3 3.57Å
156	L	98.9	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.5	166.4	-60.9	90.3	0	0	0	109	L126 F129 L154 H158 V179 I180 I182 P217 F221	L126-L156 HydrophobicContact CD1-CB 4.02Å; L126-L156 HydrophobicContact CD1-CD2 4.47Å; F129-L156 HydrophobicContact CB-CB 4.37Å; F129-L156 HydrophobicContact CB-CG 4.03Å; L154-L156 HydrophobicContact CD1-CD1 4.25Å; L154-L156 HydrophobicContact CD2-CD1 3.81Å; L154-L156 HydrophobicContact CG-CD1 3.75Å; L156-H158 PolarHBondContact O-ND1 2.8Å; L156-H158 VanDerWaalsContact O-ND1 3.13Å; L156-V179 WeakPolarHBondContact O-CA 3.4Å; L156-I180 HydrophobicContact CB-CB 4.27Å; L156-I180 HydrophobicContact CD1-CB 4.19Å; L156-I180 HydrophobicContact CD1-CG2 4.15Å; L156-I180 PolarHBondContact N-O 3Å; L156-I180 PolarHBondContact O-N 3.32Å; L156-I182 HydrophobicContact CD1-CD1 3.93Å; L156-I182 HydrophobicContact CD1-CG1 4.37Å; L156-P217 HydrophobicContact CD2-CB 3.85Å; L156-F221 HydrophobicContact CD2-CE2 3.78Å; L156-F221 HydrophobicContact CD2-CZ 4.26Å
157	V	98.7	Very high	96.9	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.1	-172.4	-175.2	0	0	0	0	110.3	C127 Q128 H155 F167 V179	C127-V157 PolarHBondContact N-O 3.38Å; C127-V157 PolarHBondContact SG-O 3.29Å; Q128-V157 HydrophobicContact CG-CB 4.37Å; Q128-V157 VanDerWaalsContact NE2-CG2 3.28Å; Q128-V157 PolarHBondContact O-N 3.37Å; H155-V157 HydrophobicContact CB-CG2 4.49Å; V157-F167 HydrophobicContact CG1-CE2 4.41Å; V157-V179 HydrophobicContact CB-CG2 4.48Å; V157-V179 HydrophobicContact CG1-CG2 4.25Å; V157-V179 HydrophobicContact CG2-CG1 4.45Å; V157-V179 HydrophobicContact CG2-CG2 4.16Å
158	H	98.8	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.7	177.6	-47.4	70.2	0	0	0	110.6	Y87 R125 L126 L156 L177 A178	Y87-H158 AromaticContact CE1-NE2 3.58Å; Y87-H158 AromaticContact CZ-NE2 3.62Å; Y87-H158 PolarHBondContact OH-CE1 3.44Å; Y87-H158 PolarHBondContact OH-NE2 3.5Å; R125-H158 CarbonylContact O-C 3.51Å; R125-H158 WeakPolarHBondContact O-CA 3.48Å; R125-H158 WeakPolarHBondContact O-CB 3.09Å; L126-H158 VanDerWaalsContact CA-CD2 3.49Å; L126-H158 WeakPolarHBondContact CA-CD2 3.49Å; L126-H158 PolarHBondContact N-CD2 3.2Å; L156-H158 PolarHBondContact O-ND1 2.8Å; L156-H158 VanDerWaalsContact O-ND1 3.13Å; H158-L177 CarbonylContact O-C 3.48Å; H158-L177 VanDerWaalsContact O-CA 3.28Å; H158-L177 WeakPolarHBondContact O-CA 3.46Å; H158-A178 WeakPolarHBondContact CA-O 3.48Å; H158-A178 HydrophobicContact CB-CB 4.48Å; H158-A178 WeakPolarHBondContact CB-O 3.28Å; H158-A178 PolarHBondContact N-O 2.99Å; H158-A178 PolarHBondContact ND1-O 3.2Å; H158-A178 PolarHBondContact O-N 2.99Å
159	W	98.6	Very high	96.7	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.038	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.9	177.8	68.3	-86.1	0	0	0	112.4	D108 Y124 R125 S161 Y164 F167 A170 G176 L177	D108-W159 PolarHBondContact OD2-NE1 2.92Å; Y124-W159 CarbonylContact C-O 3.42Å; Y124-W159 WeakPolarHBondContact CA-O 3.45Å; Y124-W159 VanDerWaalsContact CD1-C 3.41Å; R125-W159 PolarHBondContact N-O 2.86Å; R125-W159 PolarHBondContact O-N 3.05Å; W159-S161 PolarHBondContact O-N 2.86Å; W159-Y164 WeakPolarHBondContact CZ3-O 3.36Å; W159-F167 HydrophobicContact CB-CD2 3.7Å; W159-F167 HydrophobicContact CB-CE2 4.25Å; W159-F167 AromaticContact CD1-CD2 3.84Å; W159-F167 HydrophobicContact CG-CB 4.46Å; W159-F167 AromaticContact CG-CD2 3.84Å; W159-F167 HydrophobicContact CG-CD2 3.84Å; W159-A170 HydrophobicContact CB-CB 4.15Å; W159-A170 HydrophobicContact CE3-CB 4.2Å; W159-G176 CarbonylContact C-O 3.54Å; W159-G176 WeakPolarHBondContact CA-O 3.32Å; W159-L177 HydrophobicContact CB-CD2 3.73Å
160	N	98.4	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	87.3	-171.5	-168.7	-25.4	0	0	0	111.6	D122 Y124 D162 R163 Y164 N175 G176	D122-N160 WeakPolarHBondContact CB-OD1 3.46Å; D122-N160 PolarHBondContact OD2-ND2 3.38Å; Y124-N160 HydrophobicContact CD1-CB 3.87Å; Y124-N160 VanDerWaalsContact CD1-N 3.32Å; Y124-N160 HydrophobicContact CE1-CB 3.44Å; Y124-N160 VanDerWaalsContact CE1-CB 3.44Å; Y124-N160 HydrophobicContact CE2-CB 4.31Å; Y124-N160 HydrophobicContact CG-CB 4.46Å; Y124-N160 PolarHBondContact OH-ND2 3.21Å; Y124-N160 VanDerWaalsContact OH-ND2 3.17Å; N160-D162 VanDerWaalsContact C-N 3.28Å; N160-D162 PolarHBondContact O-N 3.34Å; N160-D162 PolarHBondContact OD1-N 3Å; N160-R163 PolarHBondContact O-N 2.89Å; N160-R163 PolarHBondContact OD1-N 2.79Å; N160-Y164 HydrophobicContact CB-CD2 3.93Å; N160-Y164 HydrophobicContact CB-CE2 4.13Å; N160-Y164 WeakPolarHBondContact O-CD2 3.42Å; N160-Y164 PolarHBondContact O-N 2.76Å; N160-N175 PolarHBondContact ND2-O 3.29Å; N160-G176 PolarHBondContact N-O 2.96Å
161	S	97.1	Very high	96.4	Very high	18 Å²	18	37.5 Å²	37.5	13%	0.126	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.1	-178.7	62.1	0	0	0	0	115.1	K123 W159	K123-S161 WeakPolarHBondContact CE-OG 3.22Å; K123-S161 PolarHBondContact O-N 3.43Å; K123-S161 PolarHBondContact O-OG 2.93Å; K123-S161 VanDerWaalsContact O-OG 3.13Å; W159-S161 PolarHBondContact O-N 2.86Å
162	D	97.3	Very high	96	Very high	85 Å²	85	43 Å²	43	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-24.5	175.3	-74.9	-14.3	0	0	0	111.3	D122 K123 N160	D122-D162 HydrophobicContact CB-CB 4.2Å; K123-D162 WeakPolarHBondContact CB-OD2 3.48Å; K123-D162 VanDerWaalsContact CE-OD1 3.22Å; K123-D162 WeakPolarHBondContact CE-OD1 3.5Å; K123-D162 PolarHBondContact N-OD2 2.92Å; K123-D162 IonicContact NZ-OD1 3.55Å; K123-D162 PolarHBondContact NZ-OD1 2.86Å; N160-D162 VanDerWaalsContact C-N 3.28Å; N160-D162 PolarHBondContact O-N 3.34Å; N160-D162 PolarHBondContact OD1-N 3Å
163	R	96.9	Very high	95.7	Very high	127 Å²	127	47.8 Å²	47.8	48%	0.479	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-35.9	-179.2	-67.8	-164.6	-175.3	-171.5	5.7	114.9	D122 N160	D122-R163 IonicContact OD1-NE 3.72Å; D122-R163 IonicContact OD1-NH2 2.72Å; D122-R163 IonicContact OD2-CZ 2.73Å; D122-R163 IonicContact OD2-NE 3.69Å; D122-R163 PolarHBondContact OD2-NE 2.82Å; D122-R163 IonicContact OD2-NH2 3.49Å; D122-R163 PolarHBondContact OD2-NH2 3.36Å; D122-R163 VanDerWaalsContact OD2-NH2 3.07Å; N160-R163 PolarHBondContact O-N 2.89Å; N160-R163 PolarHBondContact OD1-N 2.79Å
164	Y	96.9	Very high	95.2	Very high	45 Å²	45	53.9 Å²	53.9	18%	0.176	26%	0.261	C	S	.	.			trans	-115.1	157.4	-174.3	-54.5	-73.2	0	0	0	110.7	W159 N160 E169 A170 E173	W159-Y164 WeakPolarHBondContact CZ3-O 3.36Å; N160-Y164 HydrophobicContact CB-CD2 3.93Å; N160-Y164 HydrophobicContact CB-CE2 4.13Å; N160-Y164 WeakPolarHBondContact O-CD2 3.42Å; N160-Y164 PolarHBondContact O-N 2.76Å; Y164-E169 HydrophobicContact CD1-CB 4.19Å; Y164-A170 HydrophobicContact CD2-CB 3.54Å; Y164-A170 HydrophobicContact CE2-CB 4.31Å; Y164-A170 HydrophobicContact CG-CB 3.85Å; Y164-E173 HydrophobicContact CE1-CB 3.92Å; Y164-E173 HydrophobicContact CE1-CG 3.71Å; Y164-E173 HydrophobicContact CE2-CB 4.35Å; Y164-E173 WeakPolarHBondContact OH-CB 3.49Å
165	T	94.1	Very high	94.8	Very high	108 Å²	108	55.9 Å²	55.9	66%	0.663	27%	0.271	S	S	*	.	S	Bend	trans	-96.5	-25.6	178.3	59.9	0	0	0	0	112.5	E169	T165-E169 PolarHBondContact N-OE2 3.22Å; T165-E169 PolarHBondContact OG1-OE2 2.66Å
166	L	91.9	Very high	94.7	Very high	91 Å²	91	55.7 Å²	55.7	48%	0.476	27%	0.271	S	S	.	.	S	Bend	trans	-130.6	148.9	-177	-62.2	173.7	0	0	0	110.6	E168 E169 A170	L166-E168 VanDerWaalsContact C-N 3.27Å; L166-E168 PolarHBondContact O-N 3.49Å; L166-E169 HydrophobicContact CB-CG 4.12Å; L166-E169 PolarHBondContact N-OE2 3.49Å; L166-E169 PolarHBondContact O-N 2.73Å; L166-A170 PolarHBondContact O-N 2.8Å
167	F	91.8	Very high	94.7	Very high	60 Å²	60	55.7 Å²	55.7	26%	0.263	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-41.5	174.9	174.7	-98.5	0	0	0	111.4	C127 V157 W159 E169 A170 V171 L177	C127-F167 VanDerWaalsContact SG-CE2 3.57Å; V157-F167 HydrophobicContact CG1-CE2 4.41Å; W159-F167 HydrophobicContact CB-CD2 3.7Å; W159-F167 HydrophobicContact CB-CE2 4.25Å; W159-F167 AromaticContact CD1-CD2 3.84Å; W159-F167 HydrophobicContact CG-CB 4.46Å; W159-F167 AromaticContact CG-CD2 3.84Å; W159-F167 HydrophobicContact CG-CD2 3.84Å; F167-E169 VanDerWaalsContact C-N 3.28Å; F167-E169 PolarHBondContact O-N 3.35Å; F167-A170 WeakPolarHBondContact O-CB 3.49Å; F167-A170 PolarHBondContact O-N 3.41Å; F167-A170 VanDerWaalsContact O-N 3.12Å; F167-V171 HydrophobicContact CD1-CG2 3.71Å; F167-V171 HydrophobicContact CD2-CG2 4.28Å; F167-V171 HydrophobicContact CE1-CG2 3.26Å; F167-V171 HydrophobicContact CE2-CG2 3.87Å; F167-V171 HydrophobicContact CG-CG2 4.21Å; F167-V171 HydrophobicContact CZ-CG2 3.34Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.29Å; F167-V171 PolarHBondContact O-N 3.32Å; F167-L177 HydrophobicContact CD2-CD2 4.24Å; F167-L177 HydrophobicContact CE2-CD2 3.71Å; F167-L177 HydrophobicContact CZ-CD2 4.39Å
168	E	90.3	Very high	94.7	Very high	128 Å²	128	55.5 Å²	55.5	60%	0.598	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-32.8	-177.5	-62.9	77.4	-171.6	0	0	112.6	L166 M172	L166-E168 VanDerWaalsContact C-N 3.27Å; L166-E168 PolarHBondContact O-N 3.49Å; E168-M172 WeakPolarHBondContact O-CG 3.49Å
169	E	93.8	Very high	94.7	Very high	85 Å²	85	55.7 Å²	55.7	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-69.2	-47.8	173.1	-64.8	174.4	159.9	0	0	110	Y164 T165 L166 F167 V171 M172	Y164-E169 HydrophobicContact CD1-CB 4.19Å; T165-E169 PolarHBondContact N-OE2 3.22Å; T165-E169 PolarHBondContact OG1-OE2 2.66Å; L166-E169 HydrophobicContact CB-CG 4.12Å; L166-E169 PolarHBondContact N-OE2 3.49Å; L166-E169 PolarHBondContact O-N 2.73Å; F167-E169 VanDerWaalsContact C-N 3.28Å; F167-E169 PolarHBondContact O-N 3.35Å; E169-V171 PolarHBondContact O-N 3.04Å; E169-M172 PolarHBondContact O-N 2.94Å
170	A	96	Very high	94.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-42	-179.2	0	0	0	0	0	112.1	W159 Y164 L166 F167 M172 E173 G176 L177	W159-A170 HydrophobicContact CB-CB 4.15Å; W159-A170 HydrophobicContact CE3-CB 4.2Å; Y164-A170 HydrophobicContact CD2-CB 3.54Å; Y164-A170 HydrophobicContact CE2-CB 4.31Å; Y164-A170 HydrophobicContact CG-CB 3.85Å; L166-A170 PolarHBondContact O-N 2.8Å; F167-A170 WeakPolarHBondContact O-CB 3.49Å; F167-A170 PolarHBondContact O-N 3.41Å; F167-A170 VanDerWaalsContact O-N 3.12Å; A170-M172 PolarHBondContact O-N 3.03Å; A170-E173 PolarHBondContact O-N 2.91Å; A170-E173 VanDerWaalsContact O-N 3.08Å; A170-G176 VanDerWaalsContact O-CA 3.28Å; A170-G176 WeakPolarHBondContact O-CA 3.42Å; A170-L177 HydrophobicContact CB-CD2 4.49Å
171	V	91.4	Very high	94.8	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-55.8	-28.2	179.8	169.4	0	0	0	0	112.8	F167 E169 L177 L235 T241 S243	F167-V171 HydrophobicContact CD1-CG2 3.71Å; F167-V171 HydrophobicContact CD2-CG2 4.28Å; F167-V171 HydrophobicContact CE1-CG2 3.26Å; F167-V171 HydrophobicContact CE2-CG2 3.87Å; F167-V171 HydrophobicContact CG-CG2 4.21Å; F167-V171 HydrophobicContact CZ-CG2 3.34Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.29Å; F167-V171 PolarHBondContact O-N 3.32Å; E169-V171 PolarHBondContact O-N 3.04Å; V171-L177 HydrophobicContact CG2-CD1 4.05Å; V171-L177 HydrophobicContact CG2-CD2 4.05Å; V171-L177 HydrophobicContact CG2-CG 4.46Å; V171-L235 HydrophobicContact CG1-CD1 4.08Å; V171-T241 WeakPolarHBondContact O-CB 3.48Å; V171-T241 WeakPolarHBondContact O-CG2 3.33Å; V171-S243 WeakPolarHBondContact O-CB 3.07Å; V171-S243 PolarHBondContact O-OG 3.01Å
172	M	88.5	Confident	94.9	Very high	123 Å²	123	54.3 Å²	54.3	61%	0.606	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.7	-175.2	-62.6	-56.2	-62.4	0	0	114	E168 E169 A170	E168-M172 WeakPolarHBondContact O-CG 3.49Å; E169-M172 PolarHBondContact O-N 2.94Å; A170-M172 PolarHBondContact O-N 3.03Å
173	E	92.6	Very high	94.9	Very high	102 Å²	102	50.3 Å²	50.3	48%	0.477	24%	0.241	S	C	.	.	S	Bend	trans	-118.8	148.8	-168.6	-65.9	-67.9	159.8	0	0	112.5	Y164 A170 N175 G176 S243	Y164-E173 HydrophobicContact CE1-CB 3.92Å; Y164-E173 HydrophobicContact CE1-CG 3.71Å; Y164-E173 HydrophobicContact CE2-CB 4.35Å; Y164-E173 WeakPolarHBondContact OH-CB 3.49Å; A170-E173 PolarHBondContact O-N 2.91Å; A170-E173 VanDerWaalsContact O-N 3.08Å; E173-N175 PolarHBondContact O-N 2.79Å; E173-G176 PolarHBondContact O-N 3.2Å; E173-S243 WeakPolarHBondContact O-CA 3.41Å; E173-S243 WeakPolarHBondContact O-CB 2.87Å
174	E	89.2	Confident	95	Very high	128 Å²	128	44.3 Å²	44.3	60%	0.598	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	133.7	176.4	-166.6	-175.1	174	0	0	110.6	G176	E174-G176 PolarHBondContact O-N 3.43Å
175	N	90.9	Very high	95.1	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.219	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	18.1	-172.6	-48.1	-62.1	0	0	0	114	Y124 N160 E173 L177 H232 T245	Y124-N175 WeakPolarHBondContact CE1-O 3.35Å; Y124-N175 PolarHBondContact OH-O 3Å; N160-N175 PolarHBondContact ND2-O 3.29Å; E173-N175 PolarHBondContact O-N 2.79Å; N175-L177 VanDerWaalsContact C-N 3.29Å; N175-H232 PolarHBondContact OD1-CE1 3Å; N175-H232 PolarHBondContact OD1-ND1 2.71Å; N175-T245 PolarHBondContact OD1-OG1 2.98Å
176	G	97.6	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-71.2	-26.2	173.4	0	0	0	0	0	113.1	W159 N160 A170 E173 E174 S243	W159-G176 CarbonylContact C-O 3.54Å; W159-G176 WeakPolarHBondContact CA-O 3.32Å; N160-G176 PolarHBondContact N-O 2.96Å; A170-G176 VanDerWaalsContact O-CA 3.28Å; A170-G176 WeakPolarHBondContact O-CA 3.42Å; E173-G176 PolarHBondContact O-N 3.2Å; E174-G176 PolarHBondContact O-N 3.43Å; G176-S243 PolarHBondContact N-O 3.29Å
177	L	98.6	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.9	179.5	-54	-179.6	0	0	0	112.5	H158 W159 F167 A170 V171 N175 L235 S243 V244 T245	H158-L177 CarbonylContact O-C 3.48Å; H158-L177 VanDerWaalsContact O-CA 3.28Å; H158-L177 WeakPolarHBondContact O-CA 3.46Å; W159-L177 HydrophobicContact CB-CD2 3.73Å; F167-L177 HydrophobicContact CD2-CD2 4.24Å; F167-L177 HydrophobicContact CE2-CD2 3.71Å; F167-L177 HydrophobicContact CZ-CD2 4.39Å; A170-L177 HydrophobicContact CB-CD2 4.49Å; V171-L177 HydrophobicContact CG2-CD1 4.05Å; V171-L177 HydrophobicContact CG2-CD2 4.05Å; V171-L177 HydrophobicContact CG2-CG 4.46Å; N175-L177 VanDerWaalsContact C-N 3.29Å; L177-L235 HydrophobicContact CD1-CD1 4.5Å; L177-L235 HydrophobicContact CD1-CD2 3.77Å; L177-L235 HydrophobicContact CD1-CG 4.21Å; L177-S243 PolarHBondContact N-O 2.8Å; L177-V244 HydrophobicContact CB-CG2 4.06Å; L177-V244 HydrophobicContact CD1-CG2 4.02Å; L177-T245 PolarHBondContact O-N 2.83Å
178	A	98.8	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.4	166.7	0	0	0	0	0	108.9	L115 L120 Y124 H158 T245	L115-A178 HydrophobicContact CD2-CB 4.35Å; L120-A178 HydrophobicContact CD1-CB 4.01Å; L120-A178 HydrophobicContact CD2-CB 3.78Å; Y124-A178 HydrophobicContact CD1-CB 3.53Å; Y124-A178 HydrophobicContact CD2-CB 4.36Å; Y124-A178 HydrophobicContact CE1-CB 3.82Å; Y124-A178 HydrophobicContact CG-CB 3.85Å; H158-A178 WeakPolarHBondContact CA-O 3.48Å; H158-A178 HydrophobicContact CB-CB 4.48Å; H158-A178 WeakPolarHBondContact CB-O 3.28Å; H158-A178 PolarHBondContact N-O 2.99Å; H158-A178 PolarHBondContact ND1-O 3.2Å; H158-A178 PolarHBondContact O-N 2.99Å; A178-T245 WeakPolarHBondContact CA-O 3.42Å
179	V	98.9	Very high	96.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.8	-178.7	-178.3	0	0	0	0	110.1	H155 L156 V157 V244 T245 W246 I247	H155-V179 HydrophobicContact CB-CG1 3.8Å; L156-V179 WeakPolarHBondContact O-CA 3.4Å; V157-V179 HydrophobicContact CB-CG2 4.48Å; V157-V179 HydrophobicContact CG1-CG2 4.25Å; V157-V179 HydrophobicContact CG2-CG1 4.45Å; V157-V179 HydrophobicContact CG2-CG2 4.16Å; V179-V244 HydrophobicContact CB-CG1 3.83Å; V179-V244 HydrophobicContact CG2-CG1 3.54Å; V179-V244 HydrophobicContact CG2-CG2 4.43Å; V179-T245 PolarHBondContact N-O 3.36Å; V179-W246 HydrophobicContact CB-CD2 4.38Å; V179-W246 HydrophobicContact CB-CE3 4.13Å; V179-W246 HydrophobicContact CB-CH2 4.16Å; V179-W246 HydrophobicContact CB-CZ2 4.42Å; V179-W246 HydrophobicContact CB-CZ3 4.03Å; V179-W246 HydrophobicContact CG1-CE3 4.02Å; V179-W246 HydrophobicContact CG1-CH2 3.56Å; V179-W246 HydrophobicContact CG1-CZ2 4.26Å; V179-W246 HydrophobicContact CG1-CZ3 3.44Å; V179-W246 VanDerWaalsContact CG1-CZ3 3.44Å; V179-I247 PolarHBondContact O-N 2.95Å
180	I	98.9	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.9	169.5	-63.4	175.7	0	0	0	108.5	L115 H155 L156 I182 F221 I247 M249	L115-I180 HydrophobicContact CD1-CD1 3.84Å; L115-I180 HydrophobicContact CD2-CD1 3.72Å; L115-I180 HydrophobicContact CD2-CG1 3.92Å; L115-I180 HydrophobicContact CG-CD1 4.42Å; H155-I180 WeakPolarHBondContact CA-O 3.21Å; L156-I180 HydrophobicContact CB-CB 4.27Å; L156-I180 HydrophobicContact CD1-CB 4.19Å; L156-I180 HydrophobicContact CD1-CG2 4.15Å; L156-I180 PolarHBondContact N-O 3Å; L156-I180 PolarHBondContact O-N 3.32Å; I180-I182 HydrophobicContact CG2-CD1 4.1Å; I180-I182 HydrophobicContact CG2-CG1 3.83Å; I180-F221 HydrophobicContact CD1-CE1 3.86Å; I180-F221 HydrophobicContact CD1-CZ 3.69Å; I180-F221 HydrophobicContact CG2-CE1 4.43Å; I180-I247 CarbonylContact C-O 3.49Å; I180-I247 VanDerWaalsContact CA-O 3.26Å; I180-I247 WeakPolarHBondContact CA-O 3.33Å; I180-I247 HydrophobicContact CG1-CB 4.29Å; I180-I247 HydrophobicContact CG1-CG2 4.39Å; I180-M249 HydrophobicContact CD1-CE 4.28Å; I180-M249 HydrophobicContact CG2-CE 3.54Å; I180-M249 HydrophobicContact CG2-CG 4.08Å
181	G	98.9	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.4	173.1	0	0	0	0	0	111.4	L154 I247 M249	L154-G181 CarbonylContact O-C 3.5Å; L154-G181 WeakPolarHBondContact O-CA 3.43Å; G181-I247 PolarHBondContact N-O 2.85Å; G181-M249 PolarHBondContact O-N 2.72Å
182	I	98.9	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.5	178.1	-48.9	-176.3	0	0	0	109.4	E153 L154 L156 I180 L184 F221 M249 I253	E153-I182 WeakPolarHBondContact CA-O 3.22Å; L154-I182 HydrophobicContact CB-CB 4.23Å; L154-I182 HydrophobicContact CD2-CB 4.42Å; L154-I182 HydrophobicContact CD2-CD1 4.18Å; L154-I182 PolarHBondContact N-O 3.04Å; L154-I182 PolarHBondContact O-N 3.29Å; L156-I182 HydrophobicContact CD1-CD1 3.93Å; L156-I182 HydrophobicContact CD1-CG1 4.37Å; I180-I182 HydrophobicContact CG2-CD1 4.1Å; I180-I182 HydrophobicContact CG2-CG1 3.83Å; I182-L184 WeakPolarHBondContact O-CD1 3.36Å; I182-F221 HydrophobicContact CD1-CD1 4.48Å; I182-F221 HydrophobicContact CD1-CD2 4.41Å; I182-F221 HydrophobicContact CD1-CG 4.3Å; I182-M249 HydrophobicContact CD1-CG 4.38Å; I182-M249 HydrophobicContact CG1-CB 4.4Å; I182-M249 HydrophobicContact CG1-CG 3.86Å; I182-I253 HydrophobicContact CG2-CG1 4.41Å; I182-I253 HydrophobicContact CG2-CG2 4.18Å
183	F	98.9	Very high	97.3	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144	175.7	-63.1	-63.8	0	0	0	111.9	H143 V145 F150 E153 V248 H252 I253	H143-F183 HydrophobicContact CB-CE1 3.73Å; H143-F183 HydrophobicContact CB-CZ 3.6Å; V145-F183 HydrophobicContact CG2-CE2 3.65Å; V145-F183 HydrophobicContact CG2-CZ 3.9Å; F150-F183 HydrophobicContact CB-CB 4.16Å; F150-F183 HydrophobicContact CB-CD1 4.09Å; F150-F183 HydrophobicContact CB-CG 4.46Å; F150-F183 HydrophobicContact CD1-CB 3.79Å; F150-F183 HydrophobicContact CD1-CG 4.39Å; F150-F183 HydrophobicContact CD2-CB 3.8Å; F150-F183 AromaticContact CD2-CD1 3.36Å; F150-F183 HydrophobicContact CD2-CD1 3.36Å; F150-F183 HydrophobicContact CD2-CD2 4.1Å; F150-F183 AromaticContact CD2-CE1 3.89Å; F150-F183 HydrophobicContact CD2-CE1 3.89Å; F150-F183 AromaticContact CD2-CG 3.47Å; F150-F183 HydrophobicContact CD2-CG 3.47Å; F150-F183 VanDerWaalsContact CD2-CG 3.47Å; F150-F183 HydrophobicContact CD2-CZ 4.45Å; F150-F183 HydrophobicContact CE1-CB 4.05Å; F150-F183 HydrophobicContact CE2-CB 4.06Å; F150-F183 AromaticContact CE2-CD1 3.93Å; F150-F183 HydrophobicContact CE2-CD1 3.93Å; F150-F183 AromaticContact CE2-CD2 3.8Å; F150-F183 HydrophobicContact CE2-CD2 3.8Å; F150-F183 HydrophobicContact CE2-CE1 4.31Å; F150-F183 HydrophobicContact CE2-CE2 4.19Å; F150-F183 AromaticContact CE2-CG 3.65Å; F150-F183 HydrophobicContact CE2-CG 3.65Å; F150-F183 HydrophobicContact CE2-CZ 4.43Å; F150-F183 HydrophobicContact CG-CB 3.65Å; F150-F183 AromaticContact CG-CD1 3.86Å; F150-F183 HydrophobicContact CG-CD1 3.86Å; F150-F183 AromaticContact CG-CG 3.88Å; F150-F183 HydrophobicContact CG-CG 3.88Å; F150-F183 HydrophobicContact CZ-CB 4.17Å; F150-F183 HydrophobicContact CZ-CD2 4.25Å; F150-F183 HydrophobicContact CZ-CG 4.19Å; E153-F183 HydrophobicContact CG-CD1 4.23Å; E153-F183 HydrophobicContact CG-CE1 4.41Å; E153-F183 WeakPolarHBondContact OE2-CE1 3.09Å; F183-V248 HydrophobicContact CD2-CG1 4.5Å; F183-V248 HydrophobicContact CE2-CG1 3.64Å; F183-V248 HydrophobicContact CZ-CG1 3.85Å; F183-H252 HydrophobicContact CB-CB 3.82Å; F183-H252 CarbonylContact O-C 3.5Å; F183-H252 VanDerWaalsContact O-CA 3.23Å; F183-H252 WeakPolarHBondContact O-CA 3.4Å; F183-H252 VanDerWaalsContact O-CB 3.24Å; F183-H252 WeakPolarHBondContact O-CB 3.18Å; F183-I253 PolarHBondContact O-N 3.12Å
184	L	98.8	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.8	173.1	-78.1	70.4	0	0	0	109.6	F131 P151 A152 L154 I182 I253 V255 L260	F131-L184 HydrophobicContact CD1-CD1 4.16Å; F131-L184 HydrophobicContact CD1-CD2 3.99Å; F131-L184 HydrophobicContact CE1-CD1 4.01Å; F131-L184 HydrophobicContact CE1-CD2 3.76Å; P151-L184 VanDerWaalsContact CD-O 3.22Å; P151-L184 WeakPolarHBondContact CD-O 3.39Å; P151-L184 WeakPolarHBondContact CG-O 3.47Å; A152-L184 HydrophobicContact CB-CB 3.96Å; A152-L184 HydrophobicContact CB-CD2 4.1Å; A152-L184 HydrophobicContact CB-CG 4.46Å; A152-L184 PolarHBondContact O-N 2.88Å; L154-L184 HydrophobicContact CB-CD1 3.93Å; I182-L184 WeakPolarHBondContact O-CD1 3.36Å; L184-I253 HydrophobicContact CD1-CD1 4.25Å; L184-I253 HydrophobicContact CD1-CG1 4.22Å; L184-I253 HydrophobicContact CG-CD1 4.02Å; L184-I253 HydrophobicContact CG-CG1 3.88Å; L184-V255 HydrophobicContact CB-CG2 4.12Å; L184-V255 HydrophobicContact CD2-CG1 3.86Å; L184-V255 HydrophobicContact CD2-CG2 4.25Å; L184-V255 HydrophobicContact CG-CG1 4.16Å; L184-L260 HydrophobicContact CD2-CD2 4.44Å
185	K	97.6	Very high	98	Very high	99 Å²	99	37.8 Å²	37.8	43%	0.43	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.5	175.6	-170.7	-175.2	173.8	-169.8	0	110.6	F150 G187 H252 I253 E254 V255	F150-K185 HydrophobicContact CD1-CB 4.22Å; K185-G187 PolarHBondContact O-N 2.96Å; K185-H252 WeakPolarHBondContact CB-CD2 3.36Å; K185-H252 VanDerWaalsContact CD-NE2 3.33Å; K185-H252 WeakPolarHBondContact CD-NE2 3.13Å; K185-I253 PolarHBondContact N-O 2.84Å; K185-E254 CarbonylContact O-C 3.52Å; K185-E254 VanDerWaalsContact O-CA 3.32Å; K185-E254 WeakPolarHBondContact O-CA 3.23Å; K185-V255 PolarHBondContact O-N 3.03Å
186	V	98.4	Very high	98.3	Very high	48 Å²	48	35.9 Å²	35.9	29%	0.291	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	125.9	171.3	177.8	0	0	0	0	110	N137 P151 V255 H257 L260	N137-V186 HydrophobicContact CB-CG2 3.88Å; P151-V186 HydrophobicContact CG-CG2 3.98Å; V186-V255 CarbonylContact C-O 3.58Å; V186-V255 VanDerWaalsContact CA-O 3.29Å; V186-V255 WeakPolarHBondContact CA-O 3.23Å; V186-H257 HydrophobicContact CG1-CB 4.47Å; V186-L260 HydrophobicContact CG2-CD1 3.73Å
187	G	98.3	Very high	98.4	Very high	35 Å²	35	36.2 Å²	36.2	36%	0.361	18%	0.179	S	C	.	.	S	Bend	trans	-172.9	-134.3	-178.1	0	0	0	0	0	110.9	K185 V255	K185-G187 PolarHBondContact O-N 2.96Å; G187-V255 PolarHBondContact N-O 3.33Å
188	K	98.1	Very high	98.4	Very high	159 Å²	159	41.3 Å²	41.3	69%	0.691	21%	0.207	S	C	*	.	S	Bend	trans	-63.2	148.7	175.5	-170.6	-179.4	173.7	-174.6	0	111.2	H190 E254 V255 S256	K188-H190 PolarHBondContact O-N 3.42Å; K188-E254 HydrophobicContact CB-CB 4.47Å; K188-E254 VanDerWaalsContact CB-OE2 3.25Å; K188-E254 WeakPolarHBondContact CB-OE2 3.37Å; K188-E254 PolarHBondContact N-OE2 3.08Å; K188-E254 CarbonylContact O-C 3.34Å; K188-V255 CarbonylContact O-C 3.27Å; K188-V255 VanDerWaalsContact O-C 3.27Å; K188-V255 WeakPolarHBondContact O-CA 3.45Å; K188-V255 PolarHBondContact O-N 3.22Å; K188-S256 PolarHBondContact O-N 3.19Å
189	R	98.4	Very high	98.4	Very high	111 Å²	111	42 Å²	42	42%	0.419	21%	0.213	S	C	.	.			trans	-56.6	134	169.5	-175.5	176	-179.3	-129.3	17	111	E191 Q194	R189-E191 WeakPolarHBondContact CD-OE1 3.47Å; R189-E191 IonicContact CZ-OE1 3.78Å; R189-E191 IonicContact CZ-OE2 2.84Å; R189-E191 IonicContact NE-OE1 3.75Å; R189-E191 VanDerWaalsContact NH1-CD 3.3Å; R189-E191 IonicContact NH1-OE1 3.68Å; R189-E191 PolarHBondContact NH1-OE1 3.17Å; R189-E191 IonicContact NH1-OE2 3.79Å; R189-E191 PolarHBondContact NH1-OE2 2.87Å; R189-Q194 VanDerWaalsContact CZ-OE1 3.27Å; R189-Q194 VanDerWaalsContact NH2-CG 3.3Å
190	H	98.6	Very high	98.3	Very high	31 Å²	31	41.9 Å²	41.9	14%	0.144	21%	0.212	C	C	.	.			trans	-95.3	105.9	178.1	-160.6	-88.3	0	0	0	110.8	K188 G192 L193 S219 E254 V255 Q259	K188-H190 PolarHBondContact O-N 3.42Å; H190-G192 PolarHBondContact O-N 2.81Å; H190-L193 HydrophobicContact CB-CB 3.9Å; H190-L193 PolarHBondContact ND1-N 3.01Å; H190-L193 VanDerWaalsContact ND1-N 3.18Å; H190-L193 PolarHBondContact O-N 2.8Å; H190-S219 PolarHBondContact CE1-O 3.18Å; H190-E254 VanDerWaalsContact CB-O 3.28Å; H190-E254 WeakPolarHBondContact CB-O 3.39Å; H190-E254 PolarHBondContact CD2-O 3.33Å; H190-E254 VanDerWaalsContact CD2-O 3.3Å; H190-V255 HydrophobicContact CB-CG1 4Å; H190-Q259 PolarHBondContact O-NE2 3.12Å
191	E	98.1	Very high	98.3	Very high	119 Å²	119	45.7 Å²	45.7	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-66.2	-38.2	-174.8	-63.2	-58.7	136.3	0	0	112.5	R189 L193 Q194	R189-E191 WeakPolarHBondContact CD-OE1 3.47Å; R189-E191 IonicContact CZ-OE1 3.78Å; R189-E191 IonicContact CZ-OE2 2.84Å; R189-E191 IonicContact NE-OE1 3.75Å; R189-E191 VanDerWaalsContact NH1-CD 3.3Å; R189-E191 IonicContact NH1-OE1 3.68Å; R189-E191 PolarHBondContact NH1-OE1 3.17Å; R189-E191 IonicContact NH1-OE2 3.79Å; R189-E191 PolarHBondContact NH1-OE2 2.87Å; E191-L193 PolarHBondContact O-N 3.28Å; E191-Q194 WeakPolarHBondContact O-CB 3.38Å; E191-Q194 PolarHBondContact O-N 2.93Å; E191-Q194 VanDerWaalsContact O-N 3.13Å
192	G	96.6	Very high	98.3	Very high	27 Å²	27	48.6 Å²	48.6	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-23.5	176.7	0	0	0	0	0	114	H190 F215	H190-G192 PolarHBondContact O-N 2.81Å; G192-F215 WeakPolarHBondContact O-CE2 3.29Å
193	L	97.7	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-85.4	-16.2	179.7	-169.1	65.3	0	0	0	112	F131 H190 E191 K195 L196 V197 L220 V255 F263	F131-L193 HydrophobicContact CZ-CD1 3.9Å; H190-L193 HydrophobicContact CB-CB 3.9Å; H190-L193 PolarHBondContact ND1-N 3.01Å; H190-L193 VanDerWaalsContact ND1-N 3.18Å; H190-L193 PolarHBondContact O-N 2.8Å; E191-L193 PolarHBondContact O-N 3.28Å; L193-K195 VanDerWaalsContact C-N 3.35Å; L193-K195 PolarHBondContact O-N 3.4Å; L193-L196 HydrophobicContact CD1-CB 4.36Å; L193-L196 HydrophobicContact CD1-CD1 4.19Å; L193-L196 HydrophobicContact CD1-CD2 4.01Å; L193-L196 HydrophobicContact CD1-CG 4.45Å; L193-L196 WeakPolarHBondContact O-CB 3.36Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-L196 VanDerWaalsContact O-N 3.09Å; L193-V197 HydrophobicContact CD2-CG2 4.3Å; L193-V197 HydrophobicContact CG-CG2 4.01Å; L193-V197 PolarHBondContact O-N 2.81Å; L193-L220 HydrophobicContact CB-CD2 4.14Å; L193-L220 HydrophobicContact CD1-CD2 3.71Å; L193-V255 HydrophobicContact CD2-CB 4.46Å; L193-V255 HydrophobicContact CD2-CG1 3.61Å; L193-F263 HydrophobicContact CD1-CZ 4.3Å; L193-F263 HydrophobicContact CD2-CE2 4.28Å; L193-F263 HydrophobicContact CD2-CZ 4.2Å
194	Q	98.2	Very high	98.3	Very high	30 Å²	30	54.1 Å²	54.1	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-41.7	-167	-171.7	61.4	47.9	0	0	112.7	R189 E191 L196 V197 D198	R189-Q194 VanDerWaalsContact CZ-OE1 3.27Å; R189-Q194 VanDerWaalsContact NH2-CG 3.3Å; E191-Q194 WeakPolarHBondContact O-CB 3.38Å; E191-Q194 PolarHBondContact O-N 2.93Å; E191-Q194 VanDerWaalsContact O-N 3.13Å; Q194-L196 PolarHBondContact O-N 2.61Å; Q194-V197 WeakPolarHBondContact O-CB 3.42Å; Q194-V197 PolarHBondContact O-N 3.03Å; Q194-V197 VanDerWaalsContact O-N 3.09Å; Q194-D198 PolarHBondContact NE2-OD1 3.49Å; Q194-D198 PolarHBondContact O-N 3.18Å
195	K	98.3	Very high	98.3	Very high	90 Å²	90	56.5 Å²	56.5	39%	0.391	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-38.9	177.6	175.4	172	172.6	171.5	0	112.4	L193 A199 F212 N213 R214 F215	L193-K195 VanDerWaalsContact C-N 3.35Å; L193-K195 PolarHBondContact O-N 3.4Å; K195-A199 PolarHBondContact O-N 2.76Å; K195-F212 HydrophobicContact CD-CZ 4.46Å; K195-F212 HydrophobicContact CG-CE2 3.85Å; K195-F212 HydrophobicContact CG-CZ 3.94Å; K195-N213 WeakPolarHBondContact CE-O 3.37Å; K195-N213 PolarHBondContact NZ-O 3.4Å; K195-R214 PolarHBondContact NZ-O 2.72Å; K195-F215 HydrophobicContact CB-CD2 4.33Å; K195-F215 HydrophobicContact CB-CE2 4.38Å; K195-F215 HydrophobicContact CD-CD2 4.15Å; K195-F215 HydrophobicContact CG-CD2 4.28Å
196	L	98.4	Very high	98.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-48.1	175.4	174.4	156.3	0	0	0	110.4	I95 F102 V104 F129 F131 L193 Q194 D198 A199 L200 F212 F215 F263	I95-L196 HydrophobicContact CD1-CG 4.4Å; F102-L196 HydrophobicContact CE2-CD1 3.89Å; F102-L196 HydrophobicContact CE2-CD2 4.13Å; F102-L196 HydrophobicContact CE2-CG 4.21Å; F102-L196 HydrophobicContact CZ-CD1 4.23Å; F102-L196 HydrophobicContact CZ-CD2 3.83Å; F102-L196 HydrophobicContact CZ-CG 4.42Å; V104-L196 HydrophobicContact CG2-CD1 4.23Å; F129-L196 HydrophobicContact CE2-CD1 3.5Å; F129-L196 HydrophobicContact CZ-CD1 3.75Å; F131-L196 HydrophobicContact CE2-CD1 3.9Å; F131-L196 HydrophobicContact CZ-CD1 4.42Å; L193-L196 HydrophobicContact CD1-CB 4.36Å; L193-L196 HydrophobicContact CD1-CD1 4.19Å; L193-L196 HydrophobicContact CD1-CD2 4.01Å; L193-L196 HydrophobicContact CD1-CG 4.45Å; L193-L196 WeakPolarHBondContact O-CB 3.36Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-L196 VanDerWaalsContact O-N 3.09Å; Q194-L196 PolarHBondContact O-N 2.61Å; L196-D198 PolarHBondContact O-N 3.46Å; L196-A199 WeakPolarHBondContact O-CB 3.45Å; L196-A199 PolarHBondContact O-N 3.43Å; L196-L200 HydrophobicContact CD2-CD1 4.01Å; L196-L200 HydrophobicContact CD2-CD2 4.12Å; L196-L200 HydrophobicContact CD2-CG 4.07Å; L196-L200 WeakPolarHBondContact O-CG 3.13Å; L196-L200 PolarHBondContact O-N 3.32Å; L196-F212 HydrophobicContact CB-CZ 4.1Å; L196-F215 HydrophobicContact CB-CE2 3.98Å; L196-F215 HydrophobicContact CB-CZ 4.3Å; L196-F263 HydrophobicContact CD2-CE2 3.96Å; L196-F263 HydrophobicContact CD2-CZ 3.71Å
197	V	98.6	Very high	98.3	Very high	7 Å²	7	58 Å²	58	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-55.9	-41	178.2	168.5	0	0	0	0	111.4	L193 Q194 A199 L200 P201 Q259 V262 F263	L193-V197 HydrophobicContact CD2-CG2 4.3Å; L193-V197 HydrophobicContact CG-CG2 4.01Å; L193-V197 PolarHBondContact O-N 2.81Å; Q194-V197 WeakPolarHBondContact O-CB 3.42Å; Q194-V197 PolarHBondContact O-N 3.03Å; Q194-V197 VanDerWaalsContact O-N 3.09Å; V197-A199 PolarHBondContact O-N 2.9Å; V197-L200 PolarHBondContact O-N 3.45Å; V197-P201 WeakPolarHBondContact O-CD 3.32Å; V197-Q259 HydrophobicContact CG1-CG 4.39Å; V197-Q259 HydrophobicContact CG2-CB 4Å; V197-Q259 HydrophobicContact CG2-CG 4Å; V197-V262 HydrophobicContact CG1-CB 3.98Å; V197-V262 HydrophobicContact CG1-CG1 4.17Å; V197-V262 HydrophobicContact CG1-CG2 3.81Å; V197-F263 HydrophobicContact CG2-CE2 3.86Å
198	D	98.6	Very high	98.3	Very high	107 Å²	107	58 Å²	58	57%	0.572	30%	0.295	S	S	*	.	H	α-helix	trans	-67.1	-24.5	179.2	-64.5	-21.8	0	0	0	112.9	Q194 L196	Q194-D198 PolarHBondContact NE2-OD1 3.49Å; Q194-D198 PolarHBondContact O-N 3.18Å; L196-D198 PolarHBondContact O-N 3.46Å
199	A	98.6	Very high	98.3	Very high	15 Å²	15	54.2 Å²	54.2	12%	0.124	29%	0.285	C	S	.	.	H	α-helix	trans	-85.7	-27.3	178.6	0	0	0	0	0	113.4	I95 K195 L196 V197 P201 A202 F212	I95-A199 HydrophobicContact CG2-CB 4.28Å; K195-A199 PolarHBondContact O-N 2.76Å; L196-A199 WeakPolarHBondContact O-CB 3.45Å; L196-A199 PolarHBondContact O-N 3.43Å; V197-A199 PolarHBondContact O-N 2.9Å; A199-P201 VanDerWaalsContact C-CD 3.42Å; A199-A202 WeakPolarHBondContact O-CB 3.14Å; A199-A202 PolarHBondContact O-N 2.93Å; A199-F212 HydrophobicContact CB-CD2 3.82Å; A199-F212 HydrophobicContact CB-CE2 3.72Å
200	L	98.7	Very high	98.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-54.5	-38.1	-176.1	-65.6	-173.8	0	0	0	114.9	I95 F102 L196 V197 A202 I203 R204 V262 F263 L266	I95-L200 HydrophobicContact CD1-CD2 3.79Å; F102-L200 HydrophobicContact CD1-CD2 3.8Å; F102-L200 HydrophobicContact CD2-CD2 4.04Å; F102-L200 HydrophobicContact CE1-CD1 4.25Å; F102-L200 HydrophobicContact CE1-CD2 3.81Å; F102-L200 HydrophobicContact CE2-CD2 4.08Å; F102-L200 HydrophobicContact CG-CD2 3.9Å; F102-L200 HydrophobicContact CZ-CD2 3.95Å; L196-L200 HydrophobicContact CD2-CD1 4.01Å; L196-L200 HydrophobicContact CD2-CD2 4.12Å; L196-L200 HydrophobicContact CD2-CG 4.07Å; L196-L200 WeakPolarHBondContact O-CG 3.13Å; L196-L200 PolarHBondContact O-N 3.32Å; V197-L200 PolarHBondContact O-N 3.45Å; L200-A202 PolarHBondContact O-N 3.34Å; L200-I203 HydrophobicContact CD2-CD1 4.02Å; L200-I203 HydrophobicContact CD2-CG1 4.4Å; L200-I203 CarbonylContact O-C 3.18Å; L200-I203 WeakPolarHBondContact O-CG1 3.2Å; L200-I203 PolarHBondContact O-N 3.14Å; L200-I203 VanDerWaalsContact O-N 3.08Å; L200-R204 PolarHBondContact O-N 3.38Å; L200-V262 HydrophobicContact CB-CG1 3.77Å; L200-V262 HydrophobicContact CD1-CG1 4.04Å; L200-V262 HydrophobicContact CG-CG1 4.45Å; L200-F263 HydrophobicContact CD1-CD2 3.51Å; L200-F263 HydrophobicContact CD1-CE2 3.73Å; L200-F263 HydrophobicContact CD1-CG 4.01Å; L200-F263 HydrophobicContact CD1-CZ 4.37Å; L200-L266 HydrophobicContact CB-CD2 4.2Å; L200-L266 HydrophobicContact CD2-CD1 4.29Å; L200-L266 WeakPolarHBondContact O-CD2 3.21Å
201	P	98.6	Very high	98.2	Very high	80 Å²	80	56.7 Å²	56.7	52%	0.519	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29.2	176.5	-26.9	36.3	0	0	0	114	V197 A199 I203 V262	V197-P201 WeakPolarHBondContact O-CD 3.32Å; A199-P201 VanDerWaalsContact C-CD 3.42Å; P201-I203 VanDerWaalsContact C-N 3.31Å; P201-V262 HydrophobicContact CG-CG1 4.41Å
202	A	98.6	Very high	98.2	Very high	62 Å²	62	51.4 Å²	51.4	51%	0.512	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-76.6	-19.4	179.9	0	0	0	0	0	113	A199 L200 V210	A199-A202 WeakPolarHBondContact O-CB 3.14Å; A199-A202 PolarHBondContact O-N 2.93Å; L200-A202 PolarHBondContact O-N 3.34Å; A202-V210 HydrophobicContact CB-CG1 3.8Å; A202-V210 HydrophobicContact CB-CG2 4.46Å
203	I	98.7	Very high	98.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-113.4	31.4	176.2	60.1	142.5	0	0	0	112.1	I95 N97 F102 L200 P201 H205 V210 L266	I95-I203 HydrophobicContact CD1-CD1 4.03Å; I95-I203 HydrophobicContact CG1-CD1 3.8Å; I95-I203 HydrophobicContact CG2-CG2 4.37Å; N97-I203 HydrophobicContact CB-CB 4.29Å; N97-I203 HydrophobicContact CB-CD1 4.2Å; N97-I203 WeakPolarHBondContact CB-O 3.43Å; N97-I203 PolarHBondContact ND2-O 3.32Å; F102-I203 HydrophobicContact CB-CD1 3.46Å; F102-I203 VanDerWaalsContact CB-CD1 3.46Å; F102-I203 HydrophobicContact CG-CD1 4.12Å; L200-I203 HydrophobicContact CD2-CD1 4.02Å; L200-I203 HydrophobicContact CD2-CG1 4.4Å; L200-I203 CarbonylContact O-C 3.18Å; L200-I203 WeakPolarHBondContact O-CG1 3.2Å; L200-I203 PolarHBondContact O-N 3.14Å; L200-I203 VanDerWaalsContact O-N 3.08Å; P201-I203 VanDerWaalsContact C-N 3.31Å; I203-H205 VanDerWaalsContact C-N 3.27Å; I203-H205 PolarHBondContact O-N 3.44Å; I203-V210 HydrophobicContact CG2-CB 4.47Å; I203-V210 HydrophobicContact CG2-CG1 4.16Å; I203-V210 HydrophobicContact CG2-CG2 3.88Å; I203-L266 HydrophobicContact CG1-CD2 4.5Å
204	R	98.6	Very high	98.1	Very high	117 Å²	117	61.1 Å²	61.1	44%	0.442	31%	0.312	S	S	.	.			trans	-56.9	-39.3	-173.8	-176.8	174.9	-178.1	-165.4	-6	113.5	N97 L200 S265 L267	N97-R204 PolarHBondContact ND2-O 2.99Å; L200-R204 PolarHBondContact O-N 3.38Å; R204-S265 WeakPolarHBondContact CG-O 3.48Å; R204-S265 PolarHBondContact NE-O 3Å; R204-S265 VanDerWaalsContact NE-O 3.13Å; R204-L267 HydrophobicContact CG-CD1 4.17Å; R204-L267 HydrophobicContact CG-CG 4.18Å; R204-L267 PolarHBondContact O-N 3.26Å
205	H	98.7	Very high	98.2	Very high	50 Å²	50	60 Å²	60	23%	0.231	31%	0.306	C	S	.	.	S	Bend	trans	-98.2	154.3	-177.1	-58.6	86.3	0	0	0	110.7	N97 I203 S208 A271 Q276	N97-H205 WeakPolarHBondContact CB-O 3.05Å; N97-H205 VanDerWaalsContact ND2-C 3.33Å; N97-H205 PolarHBondContact ND2-O 2.86Å; I203-H205 VanDerWaalsContact C-N 3.27Å; I203-H205 PolarHBondContact O-N 3.44Å; H205-S208 WeakPolarHBondContact O-CB 3.28Å; H205-S208 PolarHBondContact O-N 2.71Å; H205-S208 PolarHBondContact O-OG 3.12Å; H205-A271 HydrophobicContact CB-CB 4.39Å; H205-Q276 PolarHBondContact CD2-OE1 2.92Å
206	K	98.1	Very high	98.2	Very high	76 Å²	76	58.5 Å²	58.5	33%	0.33	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	145.8	170.7	174.4	-176.5	173.2	-164.2	0	111.1	S208 F268 T269	K206-S208 PolarHBondContact O-N 2.64Å; K206-S208 VanDerWaalsContact O-N 3.14Å; K206-F268 WeakPolarHBondContact CB-O 3.47Å; K206-F268 WeakPolarHBondContact CD-O 3.33Å; K206-T269 PolarHBondContact N-O 3.3Å
207	D	97.1	Very high	98.1	Very high	102 Å²	102	58.5 Å²	58.5	55%	0.545	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	3.9	-179.6	-52.5	-36.7	0	0	0	114.4	N97	N97-D207 WeakPolarHBondContact O-CA 3.47Å; N97-D207 PolarHBondContact O-N 2.71Å
208	S	98.4	Very high	98.1	Very high	36 Å²	36	60.1 Å²	60.1	25%	0.252	32%	0.317	S	S	.	.			trans	-75	135.2	171.1	-58.3	0	0	0	0	110.6	W96 N97 H205 K206	W96-S208 CarbonylContact C-O 3.38Å; W96-S208 VanDerWaalsContact CA-O 3.24Å; W96-S208 WeakPolarHBondContact CA-O 3.33Å; W96-S208 WeakPolarHBondContact CB-O 3.39Å; N97-S208 PolarHBondContact N-O 2.74Å; H205-S208 WeakPolarHBondContact O-CB 3.28Å; H205-S208 PolarHBondContact O-N 2.71Å; H205-S208 PolarHBondContact O-OG 3.12Å; K206-S208 PolarHBondContact O-N 2.64Å; K206-S208 VanDerWaalsContact O-N 3.14Å
209	V	98.4	Very high	98	Very high	79 Å²	79	57.1 Å²	57.1	48%	0.479	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.9	-179.2	56	0	0	0	0	110.3	Q94 W96	Q94-V209 HydrophobicContact CB-CG2 4.22Å; W96-V209 HydrophobicContact CB-CB 3.69Å; W96-V209 HydrophobicContact CB-CG2 3.84Å
210	V	98.3	Very high	98	Very high	41 Å²	41	56.4 Å²	56.4	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.7	169.7	-59.5	0	0	0	0	110.9	Q94 I95 A202 I203 F212	Q94-V210 WeakPolarHBondContact CA-O 3.34Å; I95-V210 HydrophobicContact CG2-CG2 3.34Å; I95-V210 PolarHBondContact N-O 2.93Å; I95-V210 PolarHBondContact O-N 3.06Å; A202-V210 HydrophobicContact CB-CG1 3.8Å; A202-V210 HydrophobicContact CB-CG2 4.46Å; I203-V210 HydrophobicContact CG2-CB 4.47Å; I203-V210 HydrophobicContact CG2-CG1 4.16Å; I203-V210 HydrophobicContact CG2-CG2 3.88Å; V210-F212 PolarHBondContact O-N 3.4Å
211	E	97.9	Very high	98	Very high	152 Å²	152	57.7 Å²	57.7	71%	0.71	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.2	170.5	-174	178.5	-162.6	0	0	109.8	N213	E211-N213 WeakPolarHBondContact CG-ND2 3.14Å; E211-N213 PolarHBondContact OE1-ND2 3.34Å
212	F	98.1	Very high	97.9	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.039	28%	0.282	C	S	.	.			trans	-142.3	81	-175.3	-170.4	-105.6	0	0	0	109.5	C92 Q93 I95 V104 K195 L196 A199 V210 F215	C92-F212 CarbonylContact C-O 3.52Å; C92-F212 PolarHBondContact SG-O 2.79Å; Q93-F212 PolarHBondContact O-N 3.25Å; I95-F212 HydrophobicContact CB-CB 3.87Å; I95-F212 HydrophobicContact CB-CD1 4.36Å; I95-F212 HydrophobicContact CB-CG 4.04Å; I95-F212 HydrophobicContact CG2-CB 3.68Å; I95-F212 HydrophobicContact CG2-CD2 4.08Å; I95-F212 HydrophobicContact CG2-CG 3.93Å; V104-F212 HydrophobicContact CG1-CD1 3.8Å; V104-F212 HydrophobicContact CG1-CE1 4.04Å; V104-F212 HydrophobicContact CG2-CD1 4.38Å; V104-F212 HydrophobicContact CG2-CE1 4.33Å; K195-F212 HydrophobicContact CD-CZ 4.46Å; K195-F212 HydrophobicContact CG-CE2 3.85Å; K195-F212 HydrophobicContact CG-CZ 3.94Å; L196-F212 HydrophobicContact CB-CZ 4.1Å; A199-F212 HydrophobicContact CB-CD2 3.82Å; A199-F212 HydrophobicContact CB-CE2 3.72Å; V210-F212 PolarHBondContact O-N 3.4Å; F212-F215 HydrophobicContact CD1-CB 4.21Å; F212-F215 HydrophobicContact CE1-CB 3.54Å; F212-F215 HydrophobicContact CE1-CD1 4.37Å; F212-F215 AromaticContact CE1-CD2 3.6Å; F212-F215 HydrophobicContact CE1-CD2 3.6Å; F212-F215 HydrophobicContact CE1-CE2 4.41Å; F212-F215 AromaticContact CE1-CG 3.57Å; F212-F215 HydrophobicContact CE1-CG 3.57Å; F212-F215 HydrophobicContact CZ-CB 4.17Å; F212-F215 AromaticContact CZ-CD2 3.5Å; F212-F215 HydrophobicContact CZ-CD2 3.5Å; F212-F215 VanDerWaalsContact CZ-CD2 3.5Å; F212-F215 HydrophobicContact CZ-CE2 4.14Å; F212-F215 AromaticContact CZ-CG 3.99Å; F212-F215 HydrophobicContact CZ-CG 3.99Å
213	N	95.7	Very high	97.7	Very high	64 Å²	64	56.6 Å²	56.6	34%	0.342	30%	0.295	S	S	.	.			trans	-94.6	162.3	-175	-58.7	-29.6	0	0	0	112.2	C92 Q93 K195 E211	C92-N213 WeakPolarHBondContact O-CA 3.28Å; C92-N213 PolarHBondContact O-OD1 3.32Å; Q93-N213 PolarHBondContact O-OD1 3.19Å; K195-N213 WeakPolarHBondContact CE-O 3.37Å; K195-N213 PolarHBondContact NZ-O 3.4Å; E211-N213 WeakPolarHBondContact CG-ND2 3.14Å; E211-N213 PolarHBondContact OE1-ND2 3.34Å
214	R	96.6	Very high	97.6	Very high	166 Å²	166	59 Å²	59	63%	0.626	31%	0.307	S	S	*	.	S	Bend	trans	60.9	52.2	169.4	-56.1	-174.4	175.6	173	5.9	113.2	P89 K195	P89-R214 WeakPolarHBondContact O-CA 3.31Å; P89-R214 PolarHBondContact O-N 3.26Å; K195-R214 PolarHBondContact NZ-O 2.72Å
215	F	98.4	Very high	97.4	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.026	30%	0.298	C	S	.	.			trans	-117.5	128.4	173.5	-171.1	-87.1	0	0	0	109	P89 C92 Y106 F129 G192 K195 L196 F212 P217 L220	P89-F215 WeakPolarHBondContact CA-O 3.31Å; P89-F215 PolarHBondContact O-N 3.09Å; C92-F215 HydrophobicContact CB-CB 4.25Å; Y106-F215 WeakPolarHBondContact OH-CD1 3.34Å; Y106-F215 PolarHBondContact OH-O 2.83Å; F129-F215 AromaticContact CE1-CD1 3.9Å; F129-F215 HydrophobicContact CE1-CD1 3.9Å; F129-F215 AromaticContact CE1-CE1 3.75Å; F129-F215 HydrophobicContact CE1-CE1 3.75Å; F129-F215 HydrophobicContact CZ-CD1 4.02Å; F129-F215 AromaticContact CZ-CE1 3.64Å; F129-F215 HydrophobicContact CZ-CE1 3.64Å; F129-F215 HydrophobicContact CZ-CZ 4.34Å; G192-F215 WeakPolarHBondContact O-CE2 3.29Å; K195-F215 HydrophobicContact CB-CD2 4.33Å; K195-F215 HydrophobicContact CB-CE2 4.38Å; K195-F215 HydrophobicContact CD-CD2 4.15Å; K195-F215 HydrophobicContact CG-CD2 4.28Å; L196-F215 HydrophobicContact CB-CE2 3.98Å; L196-F215 HydrophobicContact CB-CZ 4.3Å; F212-F215 HydrophobicContact CD1-CB 4.21Å; F212-F215 HydrophobicContact CE1-CB 3.54Å; F212-F215 HydrophobicContact CE1-CD1 4.37Å; F212-F215 AromaticContact CE1-CD2 3.6Å; F212-F215 HydrophobicContact CE1-CD2 3.6Å; F212-F215 HydrophobicContact CE1-CE2 4.41Å; F212-F215 AromaticContact CE1-CG 3.57Å; F212-F215 HydrophobicContact CE1-CG 3.57Å; F212-F215 HydrophobicContact CZ-CB 4.17Å; F212-F215 AromaticContact CZ-CD2 3.5Å; F212-F215 HydrophobicContact CZ-CD2 3.5Å; F212-F215 VanDerWaalsContact CZ-CD2 3.5Å; F212-F215 HydrophobicContact CZ-CE2 4.14Å; F212-F215 AromaticContact CZ-CG 3.99Å; F212-F215 HydrophobicContact CZ-CG 3.99Å; F215-P217 WeakPolarHBondContact O-CD 3.49Å; F215-L220 HydrophobicContact CE1-CD1 3.81Å; F215-L220 HydrophobicContact CE1-CG 4.12Å; F215-L220 HydrophobicContact CZ-CD1 3.95Å; F215-L220 HydrophobicContact CZ-CD2 4.13Å; F215-L220 HydrophobicContact CZ-CG 4.08Å
216	D	98.2	Very high	97.2	Very high	60 Å²	60	57.4 Å²	57.4	32%	0.321	31%	0.309	S	S	.	.			trans	-94.4	110.8	177.9	-172.6	-5.8	0	0	0	109.4	P89 A218 S219	P89-D216 HydrophobicContact CB-CB 4.25Å; P89-D216 HydrophobicContact CG-CB 3.63Å; D216-A218 PolarHBondContact O-N 3.37Å; D216-A218 WeakPolarHBondContact OD1-CB 3.49Å; D216-A218 PolarHBondContact OD1-N 3.44Å; D216-S219 VanDerWaalsContact O-CB 3.28Å; D216-S219 WeakPolarHBondContact O-CB 3.45Å; D216-S219 PolarHBondContact O-N 2.89Å; D216-S219 VanDerWaalsContact O-N 3.1Å; D216-S219 PolarHBondContact O-OG 2.87Å
217	P	97.8	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-67.4	-21.6	177.2	28.2	-31.6	0	0	0	112.2	Y87 Y106 L126 F129 L156 F215 S219 L220 F221	Y87-P217 HydrophobicContact CD1-CG 4.12Å; Y87-P217 HydrophobicContact CD2-CG 3.77Å; Y87-P217 HydrophobicContact CE2-CG 4.38Å; Y87-P217 HydrophobicContact CG-CG 3.62Å; Y106-P217 HydrophobicContact CE1-CG 4.06Å; Y106-P217 WeakPolarHBondContact OH-CD 3.47Å; L126-P217 HydrophobicContact CD2-CB 4.25Å; L126-P217 HydrophobicContact CD2-CG 3.69Å; F129-P217 HydrophobicContact CD1-CB 4.22Å; F129-P217 HydrophobicContact CE1-CB 4.28Å; L156-P217 HydrophobicContact CD2-CB 3.85Å; F215-P217 WeakPolarHBondContact O-CD 3.49Å; P217-S219 PolarHBondContact O-N 3.09Å; P217-L220 WeakPolarHBondContact O-CB 3.43Å; P217-L220 PolarHBondContact O-N 3.31Å; P217-L220 VanDerWaalsContact O-N 3.1Å; P217-F221 WeakPolarHBondContact O-CD2 3.47Å
218	A	97.4	Very high	97.2	Very high	40 Å²	40	50.6 Å²	50.6	33%	0.331	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.2	-28	172.3	0	0	0	0	0	111.9	Y87 D216 L220 F221	Y87-A218 HydrophobicContact CD2-CB 4.03Å; D216-A218 PolarHBondContact O-N 3.37Å; D216-A218 WeakPolarHBondContact OD1-CB 3.49Å; D216-A218 PolarHBondContact OD1-N 3.44Å; A218-L220 PolarHBondContact O-N 2.76Å; A218-L220 VanDerWaalsContact O-N 3.08Å; A218-F221 WeakPolarHBondContact O-CB 3.4Å; A218-F221 PolarHBondContact O-N 3.36Å
219	S	97.6	Very high	97.3	Very high	45 Å²	45	49.3 Å²	49.3	32%	0.315	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-63.2	-15.3	178.3	74.2	0	0	0	0	113.4	H190 D216 P217	H190-S219 PolarHBondContact CE1-O 3.18Å; D216-S219 VanDerWaalsContact O-CB 3.28Å; D216-S219 WeakPolarHBondContact O-CB 3.45Å; D216-S219 PolarHBondContact O-N 2.89Å; D216-S219 VanDerWaalsContact O-N 3.1Å; D216-S219 PolarHBondContact O-OG 2.87Å; P217-S219 PolarHBondContact O-N 3.09Å
220	L	98.3	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-96.7	1.6	178.5	-56.9	-178.9	0	0	0	113.5	F129 F131 L154 L193 F215 P217 A218	F129-L220 HydrophobicContact CE1-CD1 4.41Å; F129-L220 HydrophobicContact CE2-CD1 4.34Å; F129-L220 HydrophobicContact CZ-CD1 4.13Å; F131-L220 HydrophobicContact CZ-CD1 4.23Å; L154-L220 HydrophobicContact CD2-CB 3.71Å; L154-L220 HydrophobicContact CD2-CD1 3.82Å; L154-L220 HydrophobicContact CD2-CG 4.41Å; L193-L220 HydrophobicContact CB-CD2 4.14Å; L193-L220 HydrophobicContact CD1-CD2 3.71Å; F215-L220 HydrophobicContact CE1-CD1 3.81Å; F215-L220 HydrophobicContact CE1-CG 4.12Å; F215-L220 HydrophobicContact CZ-CD1 3.95Å; F215-L220 HydrophobicContact CZ-CD2 4.13Å; F215-L220 HydrophobicContact CZ-CG 4.08Å; P217-L220 WeakPolarHBondContact O-CB 3.43Å; P217-L220 PolarHBondContact O-N 3.31Å; P217-L220 VanDerWaalsContact O-N 3.1Å; A218-L220 PolarHBondContact O-N 2.76Å; A218-L220 VanDerWaalsContact O-N 3.08Å
221	F	98	Very high	97.3	Very high	26 Å²	26	43.8 Å²	43.8	11%	0.114	23%	0.232	C	C	.	.	S	Bend	trans	-77.4	148.2	176.6	-79.6	-115	0	0	0	111.2	Y87 L156 I180 I182 P217 A218 I225 M249	Y87-F221 AromaticContact CE2-CE2 3.73Å; Y87-F221 HydrophobicContact CE2-CE2 3.73Å; Y87-F221 AromaticContact CE2-CZ 3.86Å; Y87-F221 HydrophobicContact CE2-CZ 3.86Å; L156-F221 HydrophobicContact CD2-CE2 3.78Å; L156-F221 HydrophobicContact CD2-CZ 4.26Å; I180-F221 HydrophobicContact CD1-CE1 3.86Å; I180-F221 HydrophobicContact CD1-CZ 3.69Å; I180-F221 HydrophobicContact CG2-CE1 4.43Å; I182-F221 HydrophobicContact CD1-CD1 4.48Å; I182-F221 HydrophobicContact CD1-CD2 4.41Å; I182-F221 HydrophobicContact CD1-CG 4.3Å; P217-F221 WeakPolarHBondContact O-CD2 3.47Å; A218-F221 WeakPolarHBondContact O-CB 3.4Å; A218-F221 PolarHBondContact O-N 3.36Å; F221-I225 HydrophobicContact CB-CG2 3.96Å; F221-I225 HydrophobicContact CD1-CB 4.37Å; F221-I225 HydrophobicContact CD1-CG2 3.64Å; F221-I225 HydrophobicContact CG-CG2 4.26Å; F221-M249 HydrophobicContact CD1-CE 3.99Å; F221-M249 HydrophobicContact CE1-CE 3.73Å
222	P	97.3	Very high	97.3	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.058	22%	0.216	C	C	.	.			trans	-64.7	165.7	167.1	30.6	-36.4	0	0	0	111.2	N224 I225 M249 Q251 I253	P222-N224 VanDerWaalsContact C-N 3.27Å; P222-N224 WeakPolarHBondContact CG-O 3.29Å; P222-N224 PolarHBondContact O-N 3.08Å; P222-I225 WeakPolarHBondContact O-CG2 3.27Å; P222-M249 HydrophobicContact CG-CB 4.19Å; P222-M249 HydrophobicContact CG-CG 4.27Å; P222-Q251 HydrophobicContact CB-CB 3.7Å; P222-Q251 HydrophobicContact CB-CG 3.73Å; P222-Q251 HydrophobicContact CG-CB 4.21Å; P222-I253 HydrophobicContact CB-CG2 4.34Å
223	S	95.3	Very high	97.3	Very high	111 Å²	111	40 Å²	40	78%	0.776	22%	0.215	S	C	*	.	S	Bend	trans	-62.7	-31.8	178	51.4	0	0	0	0	113.8	Q251	S223-Q251 PolarHBondContact OG-NE2 3.18Å; S223-Q251 PolarHBondContact OG-OE1 3.48Å
224	N	94.7	Very high	97.3	Very high	50 Å²	50	37 Å²	37	27%	0.267	20%	0.198	S	C	.	.			trans	-109	113.6	173.5	179.9	1.6	0	0	0	109.3	P222 D226 D227	P222-N224 VanDerWaalsContact C-N 3.27Å; P222-N224 WeakPolarHBondContact CG-O 3.29Å; P222-N224 PolarHBondContact O-N 3.08Å; N224-D226 WeakPolarHBondContact OD1-CB 3.34Å; N224-D226 PolarHBondContact OD1-N 2.66Å; N224-D227 PolarHBondContact ND2-OD1 3.03Å; N224-D227 PolarHBondContact OD1-N 2.6Å
225	I	95.5	Very high	97.2	Very high	49 Å²	49	30.4 Å²	30.4	25%	0.251	18%	0.176	S	C	.	.			trans	-102.8	-7.7	178	68.7	171.7	0	0	0	112.8	F221 P222	F221-I225 HydrophobicContact CB-CG2 3.96Å; F221-I225 HydrophobicContact CD1-CB 4.37Å; F221-I225 HydrophobicContact CD1-CG2 3.64Å; F221-I225 HydrophobicContact CG-CG2 4.26Å; P222-I225 WeakPolarHBondContact O-CG2 3.27Å
226	D	94.6	Very high	97.1	Very high	84 Å²	84	30.5 Å²	30.5	45%	0.449	18%	0.177	S	C	.	.	S	Bend	trans	-80.1	-26.7	-178.3	-62.8	-37.9	0	0	0	111.5	N224 Y228 S297	N224-D226 WeakPolarHBondContact OD1-CB 3.34Å; N224-D226 PolarHBondContact OD1-N 2.66Å; D226-Y228 WeakPolarHBondContact O-CD1 3.38Å; D226-Y228 WeakPolarHBondContact O-CE1 3.38Å; D226-S297 WeakPolarHBondContact O-CB 3.43Å; D226-S297 PolarHBondContact O-OG 3.49Å
227	D	97	Very high	96.6	Very high	36 Å²	36	29.4 Å²	29.4	19%	0.193	17%	0.172	C	C	.	.			trans	-90.8	107.6	178.4	-80.9	24	0	0	0	111.7	N224 K250 S297 F298	N224-D227 PolarHBondContact ND2-OD1 3.03Å; N224-D227 PolarHBondContact OD1-N 2.6Å; D227-K250 HydrophobicContact CB-CB 3.87Å; D227-K250 HydrophobicContact CB-CD 3.68Å; D227-K250 HydrophobicContact CB-CG 4.48Å; D227-K250 VanDerWaalsContact O-CB 3.27Å; D227-K250 WeakPolarHBondContact O-CB 3.44Å; D227-K250 PolarHBondContact O-N 2.7Å; D227-K250 VanDerWaalsContact OD2-CD 3.23Å; D227-K250 WeakPolarHBondContact OD2-CD 3.45Å; D227-K250 IonicContact OD2-NZ 3.64Å; D227-K250 PolarHBondContact OD2-NZ 3.42Å; D227-S297 WeakPolarHBondContact CA-OG 3.42Å; D227-F298 HydrophobicContact CB-CD1 3.84Å; D227-F298 HydrophobicContact CB-CE1 4.38Å; D227-F298 HydrophobicContact CB-CG 4.39Å
228	Y	98.5	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.4	177	60.6	-93.3	0	0	0	112.2	L80 K81 L83 G118 D226 T230 I247 V248 S296 S297	L80-Y228 HydrophobicContact CD1-CE2 4.15Å; L80-Y228 HydrophobicContact CD2-CE2 4.48Å; K81-Y228 PolarHBondContact O-OH 3.45Å; L83-Y228 HydrophobicContact CD1-CD1 3.71Å; L83-Y228 HydrophobicContact CD1-CE1 3.92Å; L83-Y228 HydrophobicContact CD1-CG 4.3Å; L83-Y228 HydrophobicContact CD2-CE1 4.32Å; L83-Y228 HydrophobicContact CG-CD1 4.07Å; L83-Y228 HydrophobicContact CG-CE1 3.73Å; G118-Y228 WeakPolarHBondContact CA-OH 3.44Å; D226-Y228 WeakPolarHBondContact O-CD1 3.38Å; D226-Y228 WeakPolarHBondContact O-CE1 3.38Å; Y228-T230 HydrophobicContact CE2-CG2 4.3Å; Y228-I247 HydrophobicContact CD2-CG2 3.86Å; Y228-I247 HydrophobicContact CG-CG2 3.9Å; Y228-V248 CarbonylContact C-O 3.58Å; Y228-V248 WeakPolarHBondContact CA-O 3.46Å; Y228-V248 WeakPolarHBondContact CB-O 3.1Å; Y228-S296 WeakPolarHBondContact O-CA 3.5Å; Y228-S297 PolarHBondContact N-OG 3.43Å; Y228-S297 PolarHBondContact O-N 2.64Å; Y228-S297 PolarHBondContact O-OG 3.48Å
229	W	98.8	Very high	95.3	Very high	9 Å²	9	37 Å²	37	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.9	164.7	-63.2	-79.2	0	0	0	110.7	I69 V71 V145 I247 V248 K250 V294 R295 F298	I69-W229 HydrophobicContact CD1-CB 4.28Å; I69-W229 HydrophobicContact CD1-CD2 4.25Å; I69-W229 HydrophobicContact CD1-CE3 3.96Å; I69-W229 HydrophobicContact CD1-CG 4.41Å; I69-W229 HydrophobicContact CG2-CB 4.49Å; I69-W229 HydrophobicContact CG2-CD2 3.68Å; I69-W229 HydrophobicContact CG2-CE3 4.22Å; I69-W229 HydrophobicContact CG2-CG 3.79Å; I69-W229 HydrophobicContact CG2-CZ2 4.23Å; V71-W229 HydrophobicContact CG1-CZ2 4.48Å; V71-W229 HydrophobicContact CG2-CH2 4.5Å; V71-W229 HydrophobicContact CG2-CZ2 3.87Å; V145-W229 HydrophobicContact CG1-CH2 3.91Å; V145-W229 HydrophobicContact CG1-CZ2 4.38Å; V145-W229 HydrophobicContact CG2-CH2 4.15Å; V145-W229 HydrophobicContact CG2-CZ3 4.02Å; W229-I247 CarbonylContact O-C 3.49Å; W229-I247 WeakPolarHBondContact O-CA 3.29Å; W229-V248 PolarHBondContact N-O 2.79Å; W229-V248 PolarHBondContact O-N 3.05Å; W229-K250 HydrophobicContact CH2-CB 4.21Å; W229-K250 HydrophobicContact CH2-CG 3.87Å; W229-K250 HydrophobicContact CZ2-CG 4.39Å; W229-K250 HydrophobicContact CZ3-CB 4.06Å; W229-K250 HydrophobicContact CZ3-CG 4.22Å; W229-V294 HydrophobicContact CB-CG1 3.86Å; W229-V294 HydrophobicContact CG-CG1 4.19Å; W229-R295 CarbonylContact C-O 3.57Å; W229-R295 WeakPolarHBondContact CA-O 3.12Å; W229-F298 HydrophobicContact CD2-CE1 4.36Å; W229-F298 HydrophobicContact CD2-CZ 4.24Å; W229-F298 AromaticContact CE2-CZ 3.49Å; W229-F298 VanDerWaalsContact CE2-CZ 3.49Å; W229-F298 HydrophobicContact CH2-CZ 4.29Å; W229-F298 HydrophobicContact CZ2-CE1 4.37Å; W229-F298 HydrophobicContact CZ2-CE2 4.41Å; W229-F298 AromaticContact CZ2-CZ 3.52Å; W229-F298 HydrophobicContact CZ2-CZ 3.52Å; W229-F298 AromaticContact NE1-CZ 3.57Å
230	T	98.8	Very high	95	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.8	175.7	-177.4	0	0	0	0	112.8	L80 P119 Y228 W246 R295	L80-T230 HydrophobicContact CD1-CG2 3.97Å; L80-T230 HydrophobicContact CD2-CG2 4.01Å; P119-T230 HydrophobicContact CB-CG2 3.98Å; P119-T230 HydrophobicContact CG-CG2 4.23Å; P119-T230 WeakPolarHBondContact CG-OG1 3.08Å; Y228-T230 HydrophobicContact CE2-CG2 4.3Å; T230-W246 WeakPolarHBondContact CA-O 3.49Å; T230-W246 VanDerWaalsContact CB-O 3.23Å; T230-W246 WeakPolarHBondContact CB-O 3.29Å; T230-W246 PolarHBondContact OG1-O 3.24Å; T230-R295 HydrophobicContact CG2-CB 3.91Å; T230-R295 PolarHBondContact N-O 2.8Å; T230-R295 PolarHBondContact O-N 3.1Å
231	Y	98.6	Very high	94.6	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	159.4	176.8	73.9	-79.2	0	0	0	110.7	S65 I67 H143 W246 V248	S65-Y231 WeakPolarHBondContact CB-OH 3.4Å; S65-Y231 WeakPolarHBondContact OG-CE2 3.42Å; S65-Y231 PolarHBondContact OG-OH 2.72Å; I67-Y231 HydrophobicContact CD1-CD1 3.8Å; I67-Y231 HydrophobicContact CD1-CD2 3.85Å; I67-Y231 HydrophobicContact CD1-CE1 3.78Å; I67-Y231 HydrophobicContact CD1-CE2 3.86Å; I67-Y231 HydrophobicContact CD1-CG 3.85Å; I67-Y231 HydrophobicContact CG1-CD1 4.39Å; I67-Y231 HydrophobicContact CG1-CE1 3.86Å; I67-Y231 HydrophobicContact CG1-CE2 4.07Å; I67-Y231 HydrophobicContact CG2-CE2 4.15Å; H143-Y231 AromaticContact NE2-CE1 3.54Å; H143-Y231 AromaticContact NE2-CZ 3.49Å; H143-Y231 PolarHBondContact NE2-OH 3.46Å; Y231-W246 HydrophobicContact CD1-CB 3.67Å; Y231-W246 HydrophobicContact CD1-CG 4.38Å; Y231-W246 HydrophobicContact CE1-CB 3.35Å; Y231-W246 HydrophobicContact CE1-CD2 4.44Å; Y231-W246 AromaticContact CE1-CG 3.64Å; Y231-W246 HydrophobicContact CE1-CG 3.64Å; Y231-W246 AromaticContact CE2-CD1 3.95Å; Y231-W246 HydrophobicContact CE2-CG 4.36Å; Y231-W246 HydrophobicContact CG-CB 4.38Å; Y231-W246 AromaticContact CZ-CD1 3.55Å; Y231-W246 AromaticContact CZ-CG 3.61Å; Y231-W246 PolarHBondContact N-O 3.48Å; Y231-W246 PolarHBondContact O-N 3.04Å; Y231-V248 HydrophobicContact CE1-CG2 4.49Å
232	H	98	Very high	94.5	Very high	79 Å²	79	39 Å²	39	37%	0.366	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129	171.4	-63.3	-86.2	0	0	0	110.4	N175 R292	N175-H232 PolarHBondContact OD1-CE1 3Å; N175-H232 PolarHBondContact OD1-ND1 2.71Å; H232-R292 WeakPolarHBondContact O-CD 3.17Å; H232-R292 PolarHBondContact O-NH1 2.9Å; H232-R292 VanDerWaalsContact O-NH1 3.13Å
233	G	97.4	Very high	94.5	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-159.8	-169.4	0	0	0	0	0	113	H63 S65 E242 V244	H63-G233 CarbonylContact O-C 3.54Å; H63-G233 WeakPolarHBondContact O-CA 3.4Å; S65-G233 VanDerWaalsContact OG-CA 3.29Å; S65-G233 WeakPolarHBondContact OG-CA 3.46Å; G233-E242 CarbonylContact O-C 3.55Å; G233-E242 WeakPolarHBondContact O-CA 3.25Å; G233-V244 PolarHBondContact N-O 2.88Å; G233-V244 PolarHBondContact O-N 3.03Å
234	S	97.1	Very high	94.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.			trans	-125	171.4	179.2	74.8	0	0	0	0	112.2	H63 Q64 S65 L240 T241 V244 W246	H63-S234 PolarHBondContact O-N 3.23Å; Q64-S234 WeakPolarHBondContact CA-OG 3.48Å; S65-S234 WeakPolarHBondContact CB-O 3.35Å; S65-S234 PolarHBondContact N-OG 2.89Å; S65-S234 PolarHBondContact OG-N 3.21Å; S234-L240 WeakPolarHBondContact CB-O 3.31Å; S234-T241 CarbonylContact C-O 3.45Å; S234-T241 WeakPolarHBondContact CA-O 3.4Å; S234-T241 VanDerWaalsContact CB-O 3.23Å; S234-T241 WeakPolarHBondContact CB-O 3.39Å; S234-V244 VanDerWaalsContact C-CG2 3.44Å; S234-W246 PolarHBondContact O-NE1 3.14Å
235	L	94.6	Very high	94.8	Very high	29 Å²	29	31.2 Å²	31.2	15%	0.152	18%	0.175	C	C	.	.			trans	-58.5	146.8	153.7	-66.7	174.1	0	0	0	109.6	V171 L177 T241 V244	V171-L235 HydrophobicContact CG1-CD1 4.08Å; L177-L235 HydrophobicContact CD1-CD1 4.5Å; L177-L235 HydrophobicContact CD1-CD2 3.77Å; L177-L235 HydrophobicContact CD1-CG 4.21Å; L235-T241 PolarHBondContact N-O 2.9Å; L235-V244 HydrophobicContact CD2-CG2 4.05Å; L235-V244 HydrophobicContact CG-CG2 4.21Å
236	T	94.8	Very high	95	Very high	7 Å²	7	29 Å²	29	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-97.1	-5.4	177.8	58.5	0	0	0	0	112.7	P66 E142 W246 R284	P66-T236 HydrophobicContact CB-CG2 4.48Å; E142-T236 WeakPolarHBondContact OE2-CB 3.32Å; E142-T236 WeakPolarHBondContact OE2-CG2 3.26Å; E142-T236 PolarHBondContact OE2-OG1 2.74Å; T236-W246 HydrophobicContact CG2-CZ2 3.9Å; T236-R284 VanDerWaalsContact O-CD 3.31Å; T236-R284 WeakPolarHBondContact O-CD 3.2Å
237	T	87.7	Confident	95.2	Very high	38 Å²	38	25 Å²	25	23%	0.233	14%	0.142	C	C	.	.	S	Bend	trans	-112.5	152.9	169.7	65.1	0	0	0	0	110.6	Y100 L240	Y100-T237 HydrophobicContact CD1-CG2 3.92Å; Y100-T237 HydrophobicContact CE1-CG2 3.2Å; T237-L240 WeakPolarHBondContact O-CD2 3.42Å; T237-L240 PolarHBondContact O-N 2.97Å
238	P	82.5	Confident	95.2	Very high	106 Å²	106	23.3 Å²	23.3	69%	0.688	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.4	137.2	170.3	-29.7	37.2	0	0	0	112
239	P	86.3	Confident	95.3	Very high	94 Å²	94	23.3 Å²	23.3	61%	0.61	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.6	7	11.8	33.1	-36.5	0	0	0	116.4	T241	P239-T241 VanDerWaalsContact C-N 3.26Å; P239-T241 WeakPolarHBondContact CG-OG1 3.44Å; P239-T241 PolarHBondContact O-N 3.13Å
240	L	90.8	Very high	95.2	Very high	28 Å²	28	26.9 Å²	26.9	15%	0.147	15%	0.149	C	C	.	.			trans	62.6	28.7	179.1	-45.4	170.7	0	0	0	114.1	Q64 S234 T237	Q64-L240 PolarHBondContact NE2-O 3.11Å; S234-L240 WeakPolarHBondContact CB-O 3.31Å; T237-L240 WeakPolarHBondContact O-CD2 3.42Å; T237-L240 PolarHBondContact O-N 2.97Å
241	T	90.7	Very high	95.2	Very high	27 Å²	27	30.1 Å²	30.1	17%	0.166	16%	0.164	C	C	.	.			trans	-62.1	137.8	-177.3	-48.3	0	0	0	0	111.9	V171 S234 L235 P239 S243	V171-T241 WeakPolarHBondContact O-CB 3.48Å; V171-T241 WeakPolarHBondContact O-CG2 3.33Å; S234-T241 CarbonylContact C-O 3.45Å; S234-T241 WeakPolarHBondContact CA-O 3.4Å; S234-T241 VanDerWaalsContact CB-O 3.23Å; S234-T241 WeakPolarHBondContact CB-O 3.39Å; L235-T241 PolarHBondContact N-O 2.9Å; P239-T241 VanDerWaalsContact C-N 3.26Å; P239-T241 WeakPolarHBondContact CG-OG1 3.44Å; P239-T241 PolarHBondContact O-N 3.13Å; T241-S243 PolarHBondContact O-N 3.36Å
242	E	95.5	Very high	95.1	Very high	56 Å²	56	32.6 Å²	32.6	26%	0.262	18%	0.175	S	C	.	.	S	Bend	trans	-83.4	55.9	-179	-54.2	-164.7	153.5	0	0	111.8	G61 D62 H63 Q64 G233	G61-E242 WeakPolarHBondContact CA-OE1 3.46Å; G61-E242 PolarHBondContact N-OE1 3.25Å; D62-E242 PolarHBondContact N-OE1 2.86Å; D62-E242 VanDerWaalsContact N-OE1 3.09Å; D62-E242 PolarHBondContact N-OE2 3.31Å; H63-E242 WeakPolarHBondContact CA-OE1 3.23Å; H63-E242 HydrophobicContact CB-CB 4.33Å; H63-E242 HydrophobicContact CB-CG 4.34Å; H63-E242 IonicContact CG-OE2 2.68Å; H63-E242 VanDerWaalsContact N-CD 3.27Å; H63-E242 PolarHBondContact N-OE1 3.19Å; H63-E242 PolarHBondContact N-OE2 3.23Å; H63-E242 IonicContact ND1-OE2 2.86Å; H63-E242 PolarHBondContact ND1-OE2 2.98Å; H63-E242 VanDerWaalsContact ND1-OE2 3.14Å; Q64-E242 PolarHBondContact N-OE1 3.3Å; Q64-E242 PolarHBondContact NE2-OE1 2.95Å; G233-E242 CarbonylContact O-C 3.55Å; G233-E242 WeakPolarHBondContact O-CA 3.25Å
243	S	96.4	Very high	95.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	16%	0.16	C	C	.	.			trans	-113	3.3	-174.3	48.8	0	0	0	0	114.1	V171 E173 G176 L177 T241	V171-S243 WeakPolarHBondContact O-CB 3.07Å; V171-S243 PolarHBondContact O-OG 3.01Å; E173-S243 WeakPolarHBondContact O-CA 3.41Å; E173-S243 WeakPolarHBondContact O-CB 2.87Å; G176-S243 PolarHBondContact N-O 3.29Å; L177-S243 PolarHBondContact N-O 2.8Å; T241-S243 PolarHBondContact O-N 3.36Å
244	V	98.4	Very high	95.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.9	-166.8	-177.3	0	0	0	0	112	L177 V179 G233 S234 L235 W246	L177-V244 HydrophobicContact CB-CG2 4.06Å; L177-V244 HydrophobicContact CD1-CG2 4.02Å; V179-V244 HydrophobicContact CB-CG1 3.83Å; V179-V244 HydrophobicContact CG2-CG1 3.54Å; V179-V244 HydrophobicContact CG2-CG2 4.43Å; G233-V244 PolarHBondContact N-O 2.88Å; G233-V244 PolarHBondContact O-N 3.03Å; S234-V244 VanDerWaalsContact C-CG2 3.44Å; L235-V244 HydrophobicContact CD2-CG2 4.05Å; L235-V244 HydrophobicContact CG-CG2 4.21Å; V244-W246 VanDerWaalsContact CG1-CD1 3.49Å; V244-W246 HydrophobicContact CG1-CD2 4.17Å; V244-W246 HydrophobicContact CG1-CG 3.97Å
245	T	98.7	Very high	95.3	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108	157	-54.1	0	0	0	0	108.8	P119 L120 N175 L177 A178 V179	P119-T245 HydrophobicContact CB-CG2 4.3Å; P119-T245 HydrophobicContact CG-CG2 3.98Å; L120-T245 HydrophobicContact CD2-CG2 3.92Å; N175-T245 PolarHBondContact OD1-OG1 2.98Å; L177-T245 PolarHBondContact O-N 2.83Å; A178-T245 WeakPolarHBondContact CA-O 3.42Å; V179-T245 PolarHBondContact N-O 3.36Å
246	W	98.9	Very high	95.5	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.1	177.7	-82.8	90.6	0	0	0	111.4	S65 H143 H155 V179 T230 Y231 S234 T236 V244 V248	S65-W246 PolarHBondContact OG-NE1 3.18Å; H143-W246 AromaticContact CE1-CD2 3.7Å; H143-W246 AromaticContact CE1-CE2 3.96Å; H143-W246 AromaticContact CE1-CE3 3.45Å; H143-W246 VanDerWaalsContact CE1-CE3 3.45Å; H143-W246 AromaticContact CE1-CH2 3.82Å; H143-W246 AromaticContact CE1-CZ3 3.51Å; H155-W246 AromaticContact CD2-CH2 3.67Å; H155-W246 AromaticContact CD2-CZ3 3.62Å; H155-W246 AromaticContact CE1-CH2 3.42Å; H155-W246 VanDerWaalsContact CE1-CH2 3.42Å; H155-W246 WeakPolarHBondContact CE1-CH2 3.11Å; H155-W246 AromaticContact CG-CH2 3.87Å; H155-W246 AromaticContact ND1-CH2 3.69Å; H155-W246 AromaticContact NE2-CH2 3.38Å; H155-W246 WeakPolarHBondContact NE2-CH2 3.39Å; H155-W246 AromaticContact NE2-CZ3 3.57Å; V179-W246 HydrophobicContact CB-CD2 4.38Å; V179-W246 HydrophobicContact CB-CE3 4.13Å; V179-W246 HydrophobicContact CB-CH2 4.16Å; V179-W246 HydrophobicContact CB-CZ2 4.42Å; V179-W246 HydrophobicContact CB-CZ3 4.03Å; V179-W246 HydrophobicContact CG1-CE3 4.02Å; V179-W246 HydrophobicContact CG1-CH2 3.56Å; V179-W246 HydrophobicContact CG1-CZ2 4.26Å; V179-W246 HydrophobicContact CG1-CZ3 3.44Å; V179-W246 VanDerWaalsContact CG1-CZ3 3.44Å; T230-W246 WeakPolarHBondContact CA-O 3.49Å; T230-W246 VanDerWaalsContact CB-O 3.23Å; T230-W246 WeakPolarHBondContact CB-O 3.29Å; T230-W246 PolarHBondContact OG1-O 3.24Å; Y231-W246 HydrophobicContact CD1-CB 3.67Å; Y231-W246 HydrophobicContact CD1-CG 4.38Å; Y231-W246 HydrophobicContact CE1-CB 3.35Å; Y231-W246 HydrophobicContact CE1-CD2 4.44Å; Y231-W246 AromaticContact CE1-CG 3.64Å; Y231-W246 HydrophobicContact CE1-CG 3.64Å; Y231-W246 AromaticContact CE2-CD1 3.95Å; Y231-W246 HydrophobicContact CE2-CG 4.36Å; Y231-W246 HydrophobicContact CG-CB 4.38Å; Y231-W246 AromaticContact CZ-CD1 3.55Å; Y231-W246 AromaticContact CZ-CG 3.61Å; Y231-W246 PolarHBondContact N-O 3.48Å; Y231-W246 PolarHBondContact O-N 3.04Å; S234-W246 PolarHBondContact O-NE1 3.14Å; T236-W246 HydrophobicContact CG2-CZ2 3.9Å; V244-W246 VanDerWaalsContact CG1-CD1 3.49Å; V244-W246 HydrophobicContact CG1-CD2 4.17Å; V244-W246 HydrophobicContact CG1-CG 3.97Å; W246-V248 HydrophobicContact CE3-CG2 4.11Å
247	I	98.9	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	97.1	172.4	-62.6	164.5	0	0	0	106.7	L83 L115 P119 L120 V179 I180 G181 Y228 W229 M249	L83-I247 HydrophobicContact CD1-CG2 3.64Å; L83-I247 HydrophobicContact CD2-CD1 3.9Å; L83-I247 HydrophobicContact CD2-CG2 4.23Å; L115-I247 HydrophobicContact CD2-CD1 4.24Å; P119-I247 HydrophobicContact CG-CD1 3.93Å; P119-I247 HydrophobicContact CG-CG1 3.76Å; L120-I247 HydrophobicContact CD1-CD1 4.09Å; L120-I247 HydrophobicContact CD2-CD1 4.27Å; L120-I247 HydrophobicContact CG-CD1 4.16Å; V179-I247 PolarHBondContact O-N 2.95Å; I180-I247 CarbonylContact C-O 3.49Å; I180-I247 VanDerWaalsContact CA-O 3.26Å; I180-I247 WeakPolarHBondContact CA-O 3.33Å; I180-I247 HydrophobicContact CG1-CB 4.29Å; I180-I247 HydrophobicContact CG1-CG2 4.39Å; G181-I247 PolarHBondContact N-O 2.85Å; Y228-I247 HydrophobicContact CD2-CG2 3.86Å; Y228-I247 HydrophobicContact CG-CG2 3.9Å; W229-I247 CarbonylContact O-C 3.49Å; W229-I247 WeakPolarHBondContact O-CA 3.29Å; I247-M249 HydrophobicContact CG2-CE 4.42Å
248	V	98.9	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.1	-176.2	-175.4	0	0	0	0	109.1	I69 F183 Y228 W229 Y231 W246 K250	I69-V248 HydrophobicContact CD1-CB 3.97Å; I69-V248 HydrophobicContact CD1-CG1 3.87Å; I69-V248 HydrophobicContact CD1-CG2 4.2Å; F183-V248 HydrophobicContact CD2-CG1 4.5Å; F183-V248 HydrophobicContact CE2-CG1 3.64Å; F183-V248 HydrophobicContact CZ-CG1 3.85Å; Y228-V248 CarbonylContact C-O 3.58Å; Y228-V248 WeakPolarHBondContact CA-O 3.46Å; Y228-V248 WeakPolarHBondContact CB-O 3.1Å; W229-V248 PolarHBondContact N-O 2.79Å; W229-V248 PolarHBondContact O-N 3.05Å; Y231-V248 HydrophobicContact CE1-CG2 4.49Å; W246-V248 HydrophobicContact CE3-CG2 4.11Å; V248-K250 PolarHBondContact O-N 2.89Å
249	M	98.6	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.9	-180	-64.5	-62.7	172.4	0	0	110.6	L83 I180 G181 I182 F221 P222 I247	L83-M249 HydrophobicContact CD1-CE 3.45Å; L83-M249 VanDerWaalsContact CD1-CE 3.45Å; L83-M249 HydrophobicContact CD1-SD 4.36Å; I180-M249 HydrophobicContact CD1-CE 4.28Å; I180-M249 HydrophobicContact CG2-CE 3.54Å; I180-M249 HydrophobicContact CG2-CG 4.08Å; G181-M249 PolarHBondContact O-N 2.72Å; I182-M249 HydrophobicContact CD1-CG 4.38Å; I182-M249 HydrophobicContact CG1-CB 4.4Å; I182-M249 HydrophobicContact CG1-CG 3.86Å; F221-M249 HydrophobicContact CD1-CE 3.99Å; F221-M249 HydrophobicContact CE1-CE 3.73Å; P222-M249 HydrophobicContact CG-CB 4.19Å; P222-M249 HydrophobicContact CG-CG 4.27Å; I247-M249 HydrophobicContact CG2-CE 4.42Å
250	K	97.5	Very high	97.5	Very high	84 Å²	84	31.4 Å²	31.4	37%	0.365	15%	0.154	S	C	.	.	S	Bend	trans	-68.4	-41.3	176.6	-178	-166.5	-177.8	174.8	0	111.7	D227 W229 V248 F298	D227-K250 HydrophobicContact CB-CB 3.87Å; D227-K250 HydrophobicContact CB-CD 3.68Å; D227-K250 HydrophobicContact CB-CG 4.48Å; D227-K250 VanDerWaalsContact O-CB 3.27Å; D227-K250 WeakPolarHBondContact O-CB 3.44Å; D227-K250 PolarHBondContact O-N 2.7Å; D227-K250 VanDerWaalsContact OD2-CD 3.23Å; D227-K250 WeakPolarHBondContact OD2-CD 3.45Å; D227-K250 IonicContact OD2-NZ 3.64Å; D227-K250 PolarHBondContact OD2-NZ 3.42Å; W229-K250 HydrophobicContact CH2-CB 4.21Å; W229-K250 HydrophobicContact CH2-CG 3.87Å; W229-K250 HydrophobicContact CZ2-CG 4.39Å; W229-K250 HydrophobicContact CZ3-CB 4.06Å; W229-K250 HydrophobicContact CZ3-CG 4.22Å; V248-K250 PolarHBondContact O-N 2.89Å; K250-F298 HydrophobicContact CB-CE1 3.94Å; K250-F298 HydrophobicContact CB-CZ 4.21Å; K250-F298 HydrophobicContact CD-CD1 4.01Å; K250-F298 HydrophobicContact CD-CD2 4.1Å; K250-F298 HydrophobicContact CD-CE1 3.66Å; K250-F298 HydrophobicContact CD-CE2 3.74Å; K250-F298 HydrophobicContact CD-CG 4.22Å; K250-F298 HydrophobicContact CD-CZ 3.49Å; K250-F298 VanDerWaalsContact CD-CZ 3.49Å; K250-F298 HydrophobicContact CG-CE1 4.03Å; K250-F298 HydrophobicContact CG-CE2 4.44Å; K250-F298 HydrophobicContact CG-CZ 3.81Å; K250-F298 VanDerWaalsContact NZ-CD2 3.29Å
251	Q	98.1	Very high	97.9	Very high	69 Å²	69	32 Å²	32	32%	0.322	16%	0.163	S	C	.	.	S	Bend	trans	-86.1	132.5	-180	-172.2	177.7	13.5	0	0	110.1	P222 S223	P222-Q251 HydrophobicContact CB-CB 3.7Å; P222-Q251 HydrophobicContact CB-CG 3.73Å; P222-Q251 HydrophobicContact CG-CB 4.21Å; S223-Q251 PolarHBondContact OG-NE2 3.18Å; S223-Q251 PolarHBondContact OG-OE1 3.48Å
252	H	98.3	Very high	98.3	Very high	55 Å²	55	32.4 Å²	32.4	26%	0.255	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-85.5	159.1	171.5	56.9	-84.9	0	0	0	110.6	F150 F183 K185	F150-H252 HydrophobicContact CD1-CB 4.42Å; F150-H252 HydrophobicContact CE1-CB 3.98Å; F150-H252 AromaticContact CE1-CG 4Å; F150-H252 AromaticContact CE1-ND1 3.98Å; F183-H252 HydrophobicContact CB-CB 3.82Å; F183-H252 CarbonylContact O-C 3.5Å; F183-H252 VanDerWaalsContact O-CA 3.23Å; F183-H252 WeakPolarHBondContact O-CA 3.4Å; F183-H252 VanDerWaalsContact O-CB 3.24Å; F183-H252 WeakPolarHBondContact O-CB 3.18Å; K185-H252 WeakPolarHBondContact CB-CD2 3.36Å; K185-H252 VanDerWaalsContact CD-NE2 3.33Å; K185-H252 WeakPolarHBondContact CD-NE2 3.13Å
253	I	98.7	Very high	98.4	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	150.6	163.2	63	172.1	0	0	0	110.2	I182 F183 L184 K185 P222 V255	I182-I253 HydrophobicContact CG2-CG1 4.41Å; I182-I253 HydrophobicContact CG2-CG2 4.18Å; F183-I253 PolarHBondContact O-N 3.12Å; L184-I253 HydrophobicContact CD1-CD1 4.25Å; L184-I253 HydrophobicContact CD1-CG1 4.22Å; L184-I253 HydrophobicContact CG-CD1 4.02Å; L184-I253 HydrophobicContact CG-CG1 3.88Å; K185-I253 PolarHBondContact N-O 2.84Å; P222-I253 HydrophobicContact CB-CG2 4.34Å; I253-V255 HydrophobicContact CD1-CG1 4.41Å
254	E	98.6	Very high	98.5	Very high	86 Å²	86	31.5 Å²	31.5	40%	0.402	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.5	171	-66.3	-167.7	168	0	0	110.3	K185 K188 H190	K185-E254 CarbonylContact O-C 3.52Å; K185-E254 VanDerWaalsContact O-CA 3.32Å; K185-E254 WeakPolarHBondContact O-CA 3.23Å; K188-E254 HydrophobicContact CB-CB 4.47Å; K188-E254 VanDerWaalsContact CB-OE2 3.25Å; K188-E254 WeakPolarHBondContact CB-OE2 3.37Å; K188-E254 PolarHBondContact N-OE2 3.08Å; K188-E254 CarbonylContact O-C 3.34Å; H190-E254 VanDerWaalsContact CB-O 3.28Å; H190-E254 WeakPolarHBondContact CB-O 3.39Å; H190-E254 PolarHBondContact CD2-O 3.33Å; H190-E254 VanDerWaalsContact CD2-O 3.3Å
255	V	98.6	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.7	174.2	-66.1	0	0	0	0	109.5	L184 K185 V186 G187 K188 H190 L193 I253 L260	L184-V255 HydrophobicContact CB-CG2 4.12Å; L184-V255 HydrophobicContact CD2-CG1 3.86Å; L184-V255 HydrophobicContact CD2-CG2 4.25Å; L184-V255 HydrophobicContact CG-CG1 4.16Å; K185-V255 PolarHBondContact O-N 3.03Å; V186-V255 CarbonylContact C-O 3.58Å; V186-V255 VanDerWaalsContact CA-O 3.29Å; V186-V255 WeakPolarHBondContact CA-O 3.23Å; G187-V255 PolarHBondContact N-O 3.33Å; K188-V255 CarbonylContact O-C 3.27Å; K188-V255 VanDerWaalsContact O-C 3.27Å; K188-V255 WeakPolarHBondContact O-CA 3.45Å; K188-V255 PolarHBondContact O-N 3.22Å; H190-V255 HydrophobicContact CB-CG1 4Å; L193-V255 HydrophobicContact CD2-CB 4.46Å; L193-V255 HydrophobicContact CD2-CG1 3.61Å; I253-V255 HydrophobicContact CD1-CG1 4.41Å; V255-L260 HydrophobicContact CG2-CD1 3.61Å; V255-L260 HydrophobicContact CG2-CD2 4.21Å; V255-L260 HydrophobicContact CG2-CG 3.65Å
256	S	98.6	Very high	98.5	Very high	18 Å²	18	33.3 Å²	33.3	13%	0.126	17%	0.172	C	C	.	.			trans	-72.6	157.2	177	61.2	0	0	0	0	111.6	K188 D258 Q259 L260	K188-S256 PolarHBondContact O-N 3.19Å; S256-D258 VanDerWaalsContact C-N 3.26Å; S256-D258 PolarHBondContact O-N 3.27Å; S256-Q259 PolarHBondContact O-N 3.24Å; S256-Q259 WeakPolarHBondContact OG-CB 3.1Å; S256-Q259 WeakPolarHBondContact OG-CG 3.42Å; S256-Q259 PolarHBondContact OG-N 3.39Å; S256-Q259 PolarHBondContact OG-OE1 3.4Å; S256-L260 PolarHBondContact O-N 3.3Å
257	H	98.3	Very high	98.5	Very high	95 Å²	95	33.5 Å²	33.5	44%	0.44	17%	0.174	S	C	.	.	H	α-helix	trans	-54.3	-44.5	174.2	179	63.2	0	0	0	112	N137 V186 Q259 L260 A261	N137-H257 PolarHBondContact ND2-ND1 3.28Å; V186-H257 HydrophobicContact CG1-CB 4.47Å; H257-Q259 PolarHBondContact O-N 2.86Å; H257-L260 PolarHBondContact O-N 3.27Å; H257-A261 PolarHBondContact O-N 2.8Å
258	D	98.4	Very high	98.4	Very high	117 Å²	117	35.2 Å²	35.2	63%	0.626	18%	0.181	S	C	*	.	H	α-helix	trans	-66	-38.2	-177.5	-60.4	-20.4	0	0	0	111.8	S256 L260 A261 V262	S256-D258 VanDerWaalsContact C-N 3.26Å; S256-D258 PolarHBondContact O-N 3.27Å; D258-L260 PolarHBondContact O-N 3.47Å; D258-A261 WeakPolarHBondContact O-CB 3.24Å; D258-A261 PolarHBondContact O-N 3.13Å; D258-V262 WeakPolarHBondContact O-CG2 3.44Å; D258-V262 PolarHBondContact O-N 3Å
259	Q	98.7	Very high	98.3	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-46.1	174.8	-74.3	172.9	-52.2	0	0	111.3	H190 V197 S256 H257 A261 V262 F263	H190-Q259 PolarHBondContact O-NE2 3.12Å; V197-Q259 HydrophobicContact CG1-CG 4.39Å; V197-Q259 HydrophobicContact CG2-CB 4Å; V197-Q259 HydrophobicContact CG2-CG 4Å; S256-Q259 PolarHBondContact O-N 3.24Å; S256-Q259 WeakPolarHBondContact OG-CB 3.1Å; S256-Q259 WeakPolarHBondContact OG-CG 3.42Å; S256-Q259 PolarHBondContact OG-N 3.39Å; S256-Q259 PolarHBondContact OG-OE1 3.4Å; H257-Q259 PolarHBondContact O-N 2.86Å; Q259-A261 VanDerWaalsContact C-N 3.32Å; Q259-A261 PolarHBondContact O-N 2.97Å; Q259-V262 PolarHBondContact O-N 2.97Å; Q259-F263 WeakPolarHBondContact O-CD2 2.94Å
260	L	98.3	Very high	98.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-29.7	175	-79	175.4	0	0	0	113.2	P151 A152 L184 V186 V255 S256 H257 D258 V262 F263 R264	P151-L260 HydrophobicContact CB-CD1 3.75Å; P151-L260 HydrophobicContact CG-CD1 4.32Å; A152-L260 HydrophobicContact CB-CD2 4Å; L184-L260 HydrophobicContact CD2-CD2 4.44Å; V186-L260 HydrophobicContact CG2-CD1 3.73Å; V255-L260 HydrophobicContact CG2-CD1 3.61Å; V255-L260 HydrophobicContact CG2-CD2 4.21Å; V255-L260 HydrophobicContact CG2-CG 3.65Å; S256-L260 PolarHBondContact O-N 3.3Å; H257-L260 PolarHBondContact O-N 3.27Å; D258-L260 PolarHBondContact O-N 3.47Å; L260-V262 PolarHBondContact O-N 3.13Å; L260-F263 WeakPolarHBondContact O-CB 3.4Å; L260-F263 PolarHBondContact O-N 2.95Å; L260-R264 WeakPolarHBondContact O-CG 3.36Å; L260-R264 PolarHBondContact O-N 3.33Å
261	A	98.5	Very high	98.2	Very high	41 Å²	41	35.4 Å²	35.4	34%	0.339	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-33.6	175.1	0	0	0	0	0	111.8	H257 D258 Q259 R264 S265	H257-A261 PolarHBondContact O-N 2.8Å; D258-A261 WeakPolarHBondContact O-CB 3.24Å; D258-A261 PolarHBondContact O-N 3.13Å; Q259-A261 VanDerWaalsContact C-N 3.32Å; Q259-A261 PolarHBondContact O-N 2.97Å; A261-R264 PolarHBondContact O-N 3.06Å; A261-S265 PolarHBondContact O-N 2.68Å
262	V	98.7	Very high	98.1	Very high	36 Å²	36	39.7 Å²	39.7	22%	0.218	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-39.3	174.4	-178.4	0	0	0	0	111.6	V197 L200 P201 D258 Q259 L260 R264 S265	V197-V262 HydrophobicContact CG1-CB 3.98Å; V197-V262 HydrophobicContact CG1-CG1 4.17Å; V197-V262 HydrophobicContact CG1-CG2 3.81Å; L200-V262 HydrophobicContact CB-CG1 3.77Å; L200-V262 HydrophobicContact CD1-CG1 4.04Å; L200-V262 HydrophobicContact CG-CG1 4.45Å; P201-V262 HydrophobicContact CG-CG1 4.41Å; D258-V262 WeakPolarHBondContact O-CG2 3.44Å; D258-V262 PolarHBondContact O-N 3Å; Q259-V262 PolarHBondContact O-N 2.97Å; L260-V262 PolarHBondContact O-N 3.13Å; V262-R264 VanDerWaalsContact C-N 3.3Å; V262-R264 PolarHBondContact O-N 3.42Å; V262-S265 WeakPolarHBondContact O-CB 3.1Å; V262-S265 PolarHBondContact O-N 2.77Å; V262-S265 PolarHBondContact O-OG 3.44Å
263	F	98.7	Very high	98	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-45.7	175.2	-74.8	-129	0	0	0	110.6	F102 F131 W133 L193 L196 V197 L200 Q259 L260 S265 L266	F102-F263 AromaticContact CE1-CD1 3.83Å; F102-F263 HydrophobicContact CE1-CD1 3.83Å; F102-F263 AromaticContact CE1-CE1 3.75Å; F102-F263 HydrophobicContact CE1-CE1 3.75Å; F102-F263 HydrophobicContact CE1-CZ 4.41Å; F102-F263 HydrophobicContact CZ-CD1 4.3Å; F102-F263 AromaticContact CZ-CE1 3.74Å; F102-F263 HydrophobicContact CZ-CE1 3.74Å; F102-F263 HydrophobicContact CZ-CZ 4.12Å; F131-F263 HydrophobicContact CB-CD1 4.44Å; F131-F263 HydrophobicContact CB-CE1 4.01Å; F131-F263 AromaticContact CD1-CE1 3.81Å; F131-F263 HydrophobicContact CD1-CE1 3.81Å; F131-F263 HydrophobicContact CD1-CZ 4.44Å; F131-F263 AromaticContact CD2-CE1 3.94Å; F131-F263 HydrophobicContact CD2-CE1 3.94Å; F131-F263 HydrophobicContact CE1-CE1 4.17Å; F131-F263 HydrophobicContact CE1-CZ 4.35Å; F131-F263 HydrophobicContact CE2-CE1 4.29Å; F131-F263 HydrophobicContact CE2-CZ 4.45Å; F131-F263 AromaticContact CG-CE1 3.68Å; F131-F263 HydrophobicContact CG-CE1 3.68Å; F131-F263 HydrophobicContact CZ-CE1 4.4Å; F131-F263 HydrophobicContact CZ-CZ 4.36Å; W133-F263 HydrophobicContact CD2-CB 4.22Å; W133-F263 HydrophobicContact CD2-CD1 4.19Å; W133-F263 AromaticContact CE3-CD1 3.94Å; W133-F263 HydrophobicContact CE3-CD1 3.94Å; W133-F263 HydrophobicContact CG-CB 4.42Å; W133-F263 HydrophobicContact CZ3-CD1 4.23Å; L193-F263 HydrophobicContact CD1-CZ 4.3Å; L193-F263 HydrophobicContact CD2-CE2 4.28Å; L193-F263 HydrophobicContact CD2-CZ 4.2Å; L196-F263 HydrophobicContact CD2-CE2 3.96Å; L196-F263 HydrophobicContact CD2-CZ 3.71Å; V197-F263 HydrophobicContact CG2-CE2 3.86Å; L200-F263 HydrophobicContact CD1-CD2 3.51Å; L200-F263 HydrophobicContact CD1-CE2 3.73Å; L200-F263 HydrophobicContact CD1-CG 4.01Å; L200-F263 HydrophobicContact CD1-CZ 4.37Å; Q259-F263 WeakPolarHBondContact O-CD2 2.94Å; L260-F263 WeakPolarHBondContact O-CB 3.4Å; L260-F263 PolarHBondContact O-N 2.95Å; F263-S265 PolarHBondContact O-N 3.24Å; F263-S265 VanDerWaalsContact O-N 3.12Å; F263-L266 WeakPolarHBondContact O-CB 3.27Å; F263-L266 WeakPolarHBondContact O-CG 3.13Å; F263-L266 PolarHBondContact O-N 2.79Å
264	R	98.5	Very high	97.8	Very high	37 Å²	37	50.3 Å²	50.3	14%	0.14	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.6	179	-62	175.8	-176.2	134.7	3.1	113.9	G134 E135 S136 N137 L260 A261 V262 V280	G134-R264 PolarHBondContact O-NE 3.39Å; E135-R264 WeakPolarHBondContact O-CD 3.5Å; E135-R264 PolarHBondContact O-NE 2.9Å; S136-R264 PolarHBondContact O-NH2 3.13Å; N137-R264 PolarHBondContact OD1-NH1 2.85Å; N137-R264 PolarHBondContact OD1-NH2 2.92Å; L260-R264 WeakPolarHBondContact O-CG 3.36Å; L260-R264 PolarHBondContact O-N 3.33Å; A261-R264 PolarHBondContact O-N 3.06Å; V262-R264 VanDerWaalsContact C-N 3.3Å; V262-R264 PolarHBondContact O-N 3.42Å; R264-V280 HydrophobicContact CB-CG1 4.01Å; R264-V280 HydrophobicContact CG-CG1 4.03Å
265	S	98.3	Very high	97.7	Very high	43 Å²	43	51.7 Å²	51.7	30%	0.301	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-15.1	176	81.3	0	0	0	0	113.9	R204 A261 V262 F263	R204-S265 WeakPolarHBondContact CG-O 3.48Å; R204-S265 PolarHBondContact NE-O 3Å; R204-S265 VanDerWaalsContact NE-O 3.13Å; A261-S265 PolarHBondContact O-N 2.68Å; V262-S265 WeakPolarHBondContact O-CB 3.1Å; V262-S265 PolarHBondContact O-N 2.77Å; V262-S265 PolarHBondContact O-OG 3.44Å; F263-S265 PolarHBondContact O-N 3.24Å; F263-S265 VanDerWaalsContact O-N 3.12Å
266	L	98.8	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.			trans	-65.2	158.2	173.9	-61.7	180	0	0	0	110.9	F102 W133 L200 I203 F263 M279	F102-L266 HydrophobicContact CB-CD1 4.42Å; F102-L266 HydrophobicContact CD1-CD1 3.46Å; F102-L266 VanDerWaalsContact CD1-CD1 3.46Å; F102-L266 HydrophobicContact CE1-CD1 4.16Å; F102-L266 HydrophobicContact CG-CD1 4.31Å; W133-L266 HydrophobicContact CH2-CD1 4Å; W133-L266 HydrophobicContact CZ2-CD1 4.06Å; L200-L266 HydrophobicContact CB-CD2 4.2Å; L200-L266 HydrophobicContact CD2-CD1 4.29Å; L200-L266 WeakPolarHBondContact O-CD2 3.21Å; I203-L266 HydrophobicContact CG1-CD2 4.5Å; F263-L266 WeakPolarHBondContact O-CB 3.27Å; F263-L266 WeakPolarHBondContact O-CG 3.13Å; F263-L266 PolarHBondContact O-N 2.79Å; L266-M279 HydrophobicContact CB-CB 3.96Å; L266-M279 HydrophobicContact CB-SD 4.13Å; L266-M279 HydrophobicContact CD1-SD 4.27Å; L266-M279 WeakPolarHBondContact O-CB 3.29Å; L266-M279 PolarHBondContact O-N 2.81Å
267	L	98.4	Very high	97.6	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-126.7	139.6	-174.6	-55.3	174.4	0	0	0	110	N97 R204 T269 Q276 K277	N97-L267 PolarHBondContact ND2-O 3.35Å; R204-L267 HydrophobicContact CG-CD1 4.17Å; R204-L267 HydrophobicContact CG-CG 4.18Å; R204-L267 PolarHBondContact O-N 3.26Å; L267-T269 PolarHBondContact O-N 3.18Å; L267-Q276 HydrophobicContact CD1-CB 4.29Å; L267-Q276 HydrophobicContact CD1-CG 4.47Å; L267-Q276 VanDerWaalsContact CD1-OE1 3.27Å; L267-K277 CarbonylContact C-O 3.59Å; L267-K277 VanDerWaalsContact CA-O 3.26Å; L267-K277 WeakPolarHBondContact CA-O 3.41Å
268	F	97.1	Very high	97.6	Very high	36 Å²	36	59 Å²	59	16%	0.158	32%	0.317	C	S	.	.	S	Bend	trans	-70.8	-17.1	171	-71.1	-59.5	0	0	0	112.4	G99 Y100 K206 K277 S278 M279 N282	G99-F268 VanDerWaalsContact O-CD1 3.23Å; G99-F268 WeakPolarHBondContact O-CD1 3.26Å; Y100-F268 WeakPolarHBondContact O-CE1 3.32Å; K206-F268 WeakPolarHBondContact CB-O 3.47Å; K206-F268 WeakPolarHBondContact CD-O 3.33Å; F268-K277 HydrophobicContact CD2-CD 3.91Å; F268-K277 HydrophobicContact CD2-CG 4.05Å; F268-K277 PolarHBondContact N-O 2.85Å; F268-S278 WeakPolarHBondContact CD2-O 3.16Å; F268-S278 VanDerWaalsContact CE2-O 3.27Å; F268-S278 WeakPolarHBondContact CE2-O 3.49Å; F268-M279 HydrophobicContact CD1-CB 4.15Å; F268-M279 HydrophobicContact CD1-CE 3.91Å; F268-M279 HydrophobicContact CD1-CG 3.79Å; F268-M279 HydrophobicContact CD2-CB 4.39Å; F268-M279 HydrophobicContact CE1-CB 4.24Å; F268-M279 HydrophobicContact CE1-CE 4.4Å; F268-M279 HydrophobicContact CE1-CG 3.57Å; F268-M279 HydrophobicContact CE2-CB 4.46Å; F268-M279 HydrophobicContact CG-CB 4.25Å; F268-M279 HydrophobicContact CG-CG 4.39Å; F268-M279 HydrophobicContact CZ-CB 4.4Å; F268-M279 HydrophobicContact CZ-CG 3.97Å; F268-N282 HydrophobicContact CE1-CB 3.94Å; F268-N282 HydrophobicContact CZ-CB 3.82Å
269	T	97.2	Very high	97.5	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	29%	0.288	C	S	.	.	S	Bend	trans	-102.5	150.9	-170	47.5	0	0	0	0	111.5	K206 L267 E273 Q276 K277	K206-T269 PolarHBondContact N-O 3.3Å; L267-T269 PolarHBondContact O-N 3.18Å; T269-E273 WeakPolarHBondContact CA-OE1 3.5Å; T269-E273 WeakPolarHBondContact CB-OE1 3.32Å; T269-E273 WeakPolarHBondContact CG2-OE2 3.5Å; T269-Q276 WeakPolarHBondContact OG1-CA 3.33Å; T269-Q276 PolarHBondContact OG1-OE1 3.07Å; T269-K277 HydrophobicContact CG2-CB 3.81Å; T269-K277 PolarHBondContact OG1-N 3.5Å
270	S	97.1	Very high	97.5	Very high	19 Å²	19	54.9 Å²	54.9	13%	0.133	30%	0.296	C	S	.	.			trans	-73.4	167.4	172.6	87.3	0	0	0	0	110.7	E272 E273 Q276	S270-E272 VanDerWaalsContact CB-OE2 3.24Å; S270-E272 WeakPolarHBondContact CB-OE2 3.38Å; S270-E272 PolarHBondContact O-N 3.31Å; S270-E272 PolarHBondContact OG-N 3.39Å; S270-E272 PolarHBondContact OG-OE2 3.09Å; S270-E273 PolarHBondContact N-OE1 2.84Å; S270-E273 PolarHBondContact O-N 2.64Å; S270-Q276 PolarHBondContact O-NE2 3.24Å; S270-Q276 PolarHBondContact O-OE1 2.88Å
271	A	96.3	Very high	97.4	Very high	59 Å²	59	56.6 Å²	56.6	49%	0.488	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.8	-178.2	0	0	0	0	0	113	H205	H205-A271 HydrophobicContact CB-CB 4.39Å
272	E	96.2	Very high	97.3	Very high	159 Å²	159	54.9 Å²	54.9	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.5	-177.4	-54.7	72.2	-154.1	0	0	113	S270	S270-E272 VanDerWaalsContact CB-OE2 3.24Å; S270-E272 WeakPolarHBondContact CB-OE2 3.38Å; S270-E272 PolarHBondContact O-N 3.31Å; S270-E272 PolarHBondContact OG-N 3.39Å; S270-E272 PolarHBondContact OG-OE2 3.09Å
273	E	96.4	Very high	97.2	Very high	85 Å²	85	53.6 Å²	53.6	40%	0.397	28%	0.282	S	S	.	.			trans	-70.9	131.8	179.1	-67.6	-173.7	-117.8	0	0	111.3	T269 S270 V275 Q276	T269-E273 WeakPolarHBondContact CA-OE1 3.5Å; T269-E273 WeakPolarHBondContact CB-OE1 3.32Å; T269-E273 WeakPolarHBondContact CG2-OE2 3.5Å; S270-E273 PolarHBondContact N-OE1 2.84Å; S270-E273 PolarHBondContact O-N 2.64Å; E273-V275 PolarHBondContact O-N 2.99Å; E273-Q276 PolarHBondContact O-NE2 2.95Å
274	E	95.4	Very high	96.9	Very high	200 Å²	200	54.9 Å²	54.9	94%	0.935	29%	0.287	S	S	*	.	S	Bend	trans	-61.8	-34.1	-178.5	-65.1	-173.5	166.8	0	0	112.7
275	V	96.2	Very high	96.6	Very high	115 Å²	115	53.7 Å²	53.7	70%	0.697	28%	0.284	S	S	*	.	S	Bend	trans	-111.2	111.1	-178.6	-179	0	0	0	0	108.9	E273	E273-V275 PolarHBondContact O-N 2.99Å
276	Q	97.5	Very high	96.3	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.35	27%	0.274	S	S	.	.			trans	-82.6	129.6	177.5	-64.8	-60.7	-40.3	0	0	110.9	H205 L267 T269 S270 E273	H205-Q276 PolarHBondContact CD2-OE1 2.92Å; L267-Q276 HydrophobicContact CD1-CB 4.29Å; L267-Q276 HydrophobicContact CD1-CG 4.47Å; L267-Q276 VanDerWaalsContact CD1-OE1 3.27Å; T269-Q276 WeakPolarHBondContact OG1-CA 3.33Å; T269-Q276 PolarHBondContact OG1-OE1 3.07Å; S270-Q276 PolarHBondContact O-NE2 3.24Å; S270-Q276 PolarHBondContact O-OE1 2.88Å; E273-Q276 PolarHBondContact O-NE2 2.95Å
277	K	97.1	Very high	96.1	Very high	130 Å²	130	53.4 Å²	53.4	57%	0.565	28%	0.278	S	S	*	.			trans	-117.5	118.1	-179.4	-169.9	-174.9	176	-174.2	0	111	L267 F268 T269 M279	L267-K277 CarbonylContact C-O 3.59Å; L267-K277 VanDerWaalsContact CA-O 3.26Å; L267-K277 WeakPolarHBondContact CA-O 3.41Å; F268-K277 HydrophobicContact CD2-CD 3.91Å; F268-K277 HydrophobicContact CD2-CG 4.05Å; F268-K277 PolarHBondContact N-O 2.85Å; T269-K277 HydrophobicContact CG2-CB 3.81Å; T269-K277 PolarHBondContact OG1-N 3.5Å; K277-M279 PolarHBondContact O-N 2.76Å
278	S	97.3	Very high	95.9	Very high	63 Å²	63	56.7 Å²	56.7	44%	0.441	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-55.7	133	173.8	-64.2	0	0	0	0	112	F268 V280	F268-S278 WeakPolarHBondContact CD2-O 3.16Å; F268-S278 VanDerWaalsContact CE2-O 3.27Å; F268-S278 WeakPolarHBondContact CE2-O 3.49Å; S278-V280 VanDerWaalsContact C-N 3.33Å; S278-V280 PolarHBondContact O-N 2.91Å
279	M	97.9	Very high	95.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.			trans	-77	87.1	171.2	-173.1	179	-74	0	0	108.2	N97 S101 W133 L266 F268 K277	N97-M279 WeakPolarHBondContact OD1-CE 3.45Å; S101-M279 VanDerWaalsContact CA-SD 3.57Å; W133-M279 HydrophobicContact CH2-CG 3.99Å; W133-M279 HydrophobicContact CH2-SD 3.41Å; W133-M279 WeakPolarHBondContact CH2-SD 3.26Å; W133-M279 HydrophobicContact CZ2-CB 4.1Å; W133-M279 HydrophobicContact CZ2-CG 3.45Å; W133-M279 VanDerWaalsContact CZ2-CG 3.45Å; W133-M279 HydrophobicContact CZ2-SD 3.43Å; W133-M279 WeakPolarHBondContact CZ2-SD 3.08Å; W133-M279 PolarHBondContact NE1-O 3.41Å; L266-M279 HydrophobicContact CB-CB 3.96Å; L266-M279 HydrophobicContact CB-SD 4.13Å; L266-M279 HydrophobicContact CD1-SD 4.27Å; L266-M279 WeakPolarHBondContact O-CB 3.29Å; L266-M279 PolarHBondContact O-N 2.81Å; F268-M279 HydrophobicContact CD1-CB 4.15Å; F268-M279 HydrophobicContact CD1-CE 3.91Å; F268-M279 HydrophobicContact CD1-CG 3.79Å; F268-M279 HydrophobicContact CD2-CB 4.39Å; F268-M279 HydrophobicContact CE1-CB 4.24Å; F268-M279 HydrophobicContact CE1-CE 4.4Å; F268-M279 HydrophobicContact CE1-CG 3.57Å; F268-M279 HydrophobicContact CE2-CB 4.46Å; F268-M279 HydrophobicContact CG-CB 4.25Å; F268-M279 HydrophobicContact CG-CG 4.39Å; F268-M279 HydrophobicContact CZ-CB 4.4Å; F268-M279 HydrophobicContact CZ-CG 3.97Å; K277-M279 PolarHBondContact O-N 2.76Å
280	V	97.7	Very high	95.5	Very high	33 Å²	33	64.8 Å²	64.8	20%	0.2	33%	0.333	C	S	.	.			trans	-139.8	155.2	174.7	-66.7	0	0	0	0	109.3	E135 R264 S278 N282	E135-V280 HydrophobicContact CB-CB 3.88Å; E135-V280 HydrophobicContact CB-CG1 4.26Å; E135-V280 HydrophobicContact CB-CG2 3.96Å; R264-V280 HydrophobicContact CB-CG1 4.01Å; R264-V280 HydrophobicContact CG-CG1 4.03Å; S278-V280 VanDerWaalsContact C-N 3.33Å; S278-V280 PolarHBondContact O-N 2.91Å; V280-N282 PolarHBondContact O-N 2.97Å
281	N	96.8	Very high	95.3	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.203	36%	0.364	C	S	.	.			trans	57	39.3	-175.7	-56.5	-32.7	0	0	0	111.9	W133 G134 E135 W139 F283	W133-N281 WeakPolarHBondContact O-CA 3.31Å; W133-N281 PolarHBondContact O-N 3.36Å; G134-N281 VanDerWaalsContact CA-OD1 3.29Å; G134-N281 WeakPolarHBondContact CA-OD1 3.17Å; E135-N281 PolarHBondContact N-OD1 3.3Å; E135-N281 PolarHBondContact OE1-ND2 3.44Å; W139-N281 PolarHBondContact NE1-OD1 3.47Å; W139-N281 VanDerWaalsContact NE1-OD1 3.14Å; N281-F283 VanDerWaalsContact CA-CE1 3.5Å; N281-F283 HydrophobicContact CB-CD1 4.39Å; N281-F283 HydrophobicContact CB-CE1 3.8Å; N281-F283 HydrophobicContact CB-CZ 4.36Å; N281-F283 PolarHBondContact O-N 2.93Å; N281-F283 VanDerWaalsContact O-N 3.13Å
282	N	96.6	Very high	95.3	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.027	35%	0.345	C	S	.	.			trans	-82.9	34.1	178.4	66.4	-27.1	0	0	0	112.5	Y100 F131 H132 W133 F268 V280	Y100-N282 WeakPolarHBondContact O-CB 3.35Å; Y100-N282 PolarHBondContact O-ND2 2.87Å; Y100-N282 PolarHBondContact OH-O 3.39Å; F131-N282 PolarHBondContact O-ND2 3.34Å; H132-N282 PolarHBondContact ND1-O 3.23Å; W133-N282 WeakPolarHBondContact CZ3-ND2 3.36Å; W133-N282 PolarHBondContact N-OD1 3.18Å; W133-N282 PolarHBondContact O-N 2.89Å; W133-N282 PolarHBondContact O-OD1 3.29Å; W133-N282 VanDerWaalsContact O-OD1 3.09Å; F268-N282 HydrophobicContact CE1-CB 3.94Å; F268-N282 HydrophobicContact CZ-CB 3.82Å; V280-N282 PolarHBondContact O-N 2.97Å
283	F	95.4	Very high	95.3	Very high	10 Å²	10	62.4 Å²	62.4	4%	0.044	34%	0.335	C	S	.	.			trans	-113.4	150.5	-179.7	57.4	-93.9	0	0	0	111.5	H49 M51 H132 W139 G140 E142 N281	H49-F283 AromaticContact NE2-CZ 3.93Å; M51-F283 HydrophobicContact CE-CD2 3.88Å; M51-F283 HydrophobicContact CE-CE2 3.39Å; M51-F283 HydrophobicContact CE-CZ 3.87Å; H132-F283 HydrophobicContact CB-CB 4.14Å; W139-F283 AromaticContact CD1-CE1 3.85Å; W139-F283 AromaticContact CD1-CZ 3.82Å; G140-F283 WeakPolarHBondContact O-CB 3.42Å; G140-F283 WeakPolarHBondContact O-CD1 3.41Å; E142-F283 HydrophobicContact CG-CB 3.83Å; E142-F283 WeakPolarHBondContact OE1-CA 3.43Å; N281-F283 VanDerWaalsContact CA-CE1 3.5Å; N281-F283 HydrophobicContact CB-CD1 4.39Å; N281-F283 HydrophobicContact CB-CE1 3.8Å; N281-F283 HydrophobicContact CB-CZ 4.36Å; N281-F283 PolarHBondContact O-N 2.93Å; N281-F283 VanDerWaalsContact O-N 3.13Å
284	R	93.7	Very high	95.4	Very high	27 Å²	27	58.8 Å²	58.8	10%	0.102	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-86.1	142	169.3	-168.6	-178.3	-179.4	-170.1	13.6	109.9	P59 S65 P66 E142 T236	P59-R284 PolarHBondContact O-NH2 2.96Å; S65-R284 WeakPolarHBondContact O-CD 3.49Å; S65-R284 PolarHBondContact O-NH1 3.21Å; P66-R284 WeakPolarHBondContact CG-O 3.39Å; E142-R284 WeakPolarHBondContact OE1-CB 3.18Å; E142-R284 PolarHBondContact OE1-N 3.14Å; T236-R284 VanDerWaalsContact O-CD 3.31Å; T236-R284 WeakPolarHBondContact O-CD 3.2Å
285	V	91.1	Very high	95.5	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.2	157.1	171.6	-63.2	0	0	0	0	112.2	M51 L56 V58 Q287	M51-V285 HydrophobicContact CB-CG1 3.81Å; M51-V285 HydrophobicContact CE-CG1 4.06Å; L56-V285 HydrophobicContact CD1-CG2 4.15Å; L56-V285 HydrophobicContact CD2-CB 4.22Å; L56-V285 HydrophobicContact CD2-CG2 3.29Å; L56-V285 HydrophobicContact CG-CG2 4.37Å; V58-V285 HydrophobicContact CG2-CG2 4.37Å; V285-Q287 PolarHBondContact O-NE2 2.86Å
286	Q	92.6	Very high	95.6	Very high	20 Å²	20	47.3 Å²	47.3	9%	0.093	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.1	141.2	-177.2	-61.7	69.9	23.2	0	0	111.4	W52 P66 E142	W52-Q286 VanDerWaalsContact CH2-CD 3.46Å; P66-Q286 WeakPolarHBondContact O-CA 3.45Å; E142-Q286 PolarHBondContact O-NE2 3.06Å
287	Q	94.5	Very high	95.6	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.075	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-101.6	154	-176.9	-57	-56	-49.3	0	0	110.4	Q64 S65 P66 V285 L289	Q64-Q287 HydrophobicContact CB-CB 3.79Å; Q64-Q287 HydrophobicContact CB-CG 3.81Å; S65-Q287 WeakPolarHBondContact O-CG 3.49Å; P66-Q287 WeakPolarHBondContact O-CB 3.43Å; P66-Q287 PolarHBondContact O-N 2.94Å; V285-Q287 PolarHBondContact O-NE2 2.86Å; Q287-L289 PolarHBondContact O-N 3.47Å
288	P	93.6	Very high	95.5	Very high	77 Å²	77	39.5 Å²	39.5	50%	0.5	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-61	136.2	178.1	-23.5	34.7	0	0	0	112.2	R290 R292	P288-R290 VanDerWaalsContact C-N 3.26Å; P288-R290 HydrophobicContact CB-CG 3.96Å; P288-R290 PolarHBondContact O-N 3.47Å; P288-R292 PolarHBondContact O-NH2 2.81Å
289	L	93.8	Very high	95.1	Very high	69 Å²	69	38.9 Å²	38.9	36%	0.361	22%	0.216	S	C	.	.			trans	-65.5	-27.6	179.2	-172.8	63.7	0	0	0	113.2	I67 Q287 G291 R292 V294	I67-L289 HydrophobicContact CD1-CD1 3.69Å; I67-L289 HydrophobicContact CG2-CD1 4.44Å; Q287-L289 PolarHBondContact O-N 3.47Å; L289-G291 VanDerWaalsContact C-N 3.29Å; L289-G291 PolarHBondContact O-N 2.85Å; L289-R292 HydrophobicContact CD1-CB 3.88Å; L289-R292 WeakPolarHBondContact CD2-O 3.44Å; L289-R292 HydrophobicContact CG-CB 4.24Å; L289-R292 WeakPolarHBondContact CG-O 3.4Å; L289-R292 VanDerWaalsContact O-CB 3.31Å; L289-R292 WeakPolarHBondContact O-CB 3.39Å; L289-R292 WeakPolarHBondContact O-CG 3.1Å; L289-R292 PolarHBondContact O-N 2.98Å; L289-R292 VanDerWaalsContact O-N 3.09Å; L289-R292 PolarHBondContact O-NE 3.38Å; L289-V294 HydrophobicContact CD1-CG2 4.09Å
290	R	92.9	Very high	93.8	Very high	148 Å²	148	40.7 Å²	40.7	56%	0.558	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	42	176.7	-63	-170.9	179.2	-147	8.3	115.3	D62 P288 R292	D62-R290 WeakPolarHBondContact O-CB 3.26Å; D62-R290 WeakPolarHBondContact O-CD 3.45Å; D62-R290 WeakPolarHBondContact OD1-CD 3.27Å; D62-R290 IonicContact OD1-CZ 3.17Å; D62-R290 IonicContact OD1-NE 2.7Å; D62-R290 IonicContact OD1-NH1 3.07Å; D62-R290 PolarHBondContact OD1-NH1 3.14Å; P288-R290 VanDerWaalsContact C-N 3.26Å; P288-R290 HydrophobicContact CB-CG 3.96Å; P288-R290 PolarHBondContact O-N 3.47Å; R290-R292 PolarHBondContact O-N 3.07Å
291	G	91.7	Very high	92.3	Very high	76 Å²	76	45.8 Å²	45.8	78%	0.784	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	-1.2	175.7	0	0	0	0	0	114.9	L289	L289-G291 VanDerWaalsContact C-N 3.29Å; L289-G291 PolarHBondContact O-N 2.85Å
292	R	96.7	Very high	90.1	Very high	24 Å²	24	50.5 Å²	50.5	9%	0.091	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.5	146.7	167.7	-68	175.1	-75.6	175.7	-4.4	110.5	H63 Q64 H232 P288 L289 R290	H63-R292 PolarHBondContact O-NH1 3.14Å; H63-R292 VanDerWaalsContact O-NH1 3.11Å; Q64-R292 VanDerWaalsContact O-CZ 3.3Å; Q64-R292 PolarHBondContact O-NH1 2.97Å; Q64-R292 PolarHBondContact O-NH2 3.49Å; H232-R292 WeakPolarHBondContact O-CD 3.17Å; H232-R292 PolarHBondContact O-NH1 2.9Å; H232-R292 VanDerWaalsContact O-NH1 3.13Å; P288-R292 PolarHBondContact O-NH2 2.81Å; L289-R292 HydrophobicContact CD1-CB 3.88Å; L289-R292 WeakPolarHBondContact CD2-O 3.44Å; L289-R292 HydrophobicContact CG-CB 4.24Å; L289-R292 WeakPolarHBondContact CG-O 3.4Å; L289-R292 VanDerWaalsContact O-CB 3.31Å; L289-R292 WeakPolarHBondContact O-CB 3.39Å; L289-R292 WeakPolarHBondContact O-CG 3.1Å; L289-R292 PolarHBondContact O-N 2.98Å; L289-R292 VanDerWaalsContact O-N 3.09Å; L289-R292 PolarHBondContact O-NE 3.38Å; R290-R292 PolarHBondContact O-N 3.07Å
293	T	96.6	Very high	87.6	Confident	86 Å²	86	59.4 Å²	59.4	53%	0.528	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-100	128.9	173.7	-62.1	0	0	0	0	109.2	V75 R295	V75-T293 HydrophobicContact CB-CG2 4.02Å; V75-T293 HydrophobicContact CG2-CG2 3.63Å; T293-R295 HydrophobicContact CG2-CG 4.45Å
294	V	98.4	Very high	84.7	Confident	10 Å²	10	67 Å²	67	6%	0.061	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-88.2	123.9	167.3	-177.8	0	0	0	0	107.5	I67 I69 A74 V75 W229 L289	I67-V294 HydrophobicContact CD1-CG2 3.55Å; I69-V294 HydrophobicContact CG2-CG1 4.34Å; A74-V294 CarbonylContact C-O 3.55Å; A74-V294 WeakPolarHBondContact CA-O 3.49Å; A74-V294 HydrophobicContact CB-CG1 4.44Å; V75-V294 PolarHBondContact N-O 2.89Å; W229-V294 HydrophobicContact CB-CG1 3.86Å; W229-V294 HydrophobicContact CG-CG1 4.19Å; L289-V294 HydrophobicContact CD1-CG2 4.09Å
295	R	98.3	Very high	81.6	Confident	73 Å²	73	70 Å²	70	28%	0.275	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153	174.9	-57.8	-175.5	-67.4	168.3	-5.5	110.4	V75 D77 L80 W229 T230 T293	V75-R295 CarbonylContact O-C 3.45Å; V75-R295 WeakPolarHBondContact O-CA 3.18Å; D77-R295 HydrophobicContact CB-CB 4.22Å; D77-R295 VanDerWaalsContact OD2-CD 3.27Å; D77-R295 WeakPolarHBondContact OD2-CD 3.23Å; D77-R295 IonicContact OD2-CZ 2.77Å; D77-R295 IonicContact OD2-NE 2.98Å; D77-R295 IonicContact OD2-NH1 3.82Å; D77-R295 PolarHBondContact OD2-NH1 2.87Å; L80-R295 HydrophobicContact CD1-CB 4.13Å; W229-R295 CarbonylContact C-O 3.57Å; W229-R295 WeakPolarHBondContact CA-O 3.12Å; T230-R295 HydrophobicContact CG2-CB 3.91Å; T230-R295 PolarHBondContact N-O 2.8Å; T230-R295 PolarHBondContact O-N 3.1Å; T293-R295 HydrophobicContact CG2-CG 4.45Å
296	S	97.9	Very high	79	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.1	173.1	60.2	0	0	0	0	111.2	V75 F76 D77 Y228 F298	V75-S296 PolarHBondContact O-N 3.38Å; F76-S296 WeakPolarHBondContact CA-O 3.33Å; F76-S296 WeakPolarHBondContact CD2-O 3.43Å; D77-S296 PolarHBondContact N-O 3.3Å; Y228-S296 WeakPolarHBondContact O-CA 3.5Å; S296-F298 WeakPolarHBondContact CB-O 3.46Å; S296-F298 PolarHBondContact O-N 3.32Å; S296-F298 PolarHBondContact OG-O 3.28Å
297	S	97.4	Very high	78.3	Confident	24 Å²	24	81.8 Å²	81.8	17%	0.168	45%	0.454	C	S	.	.	S	Bend	trans	-78.6	-6	174	60.4	0	0	0	0	113.4	F76 D226 D227 Y228	F76-S297 WeakPolarHBondContact CE2-O 3.43Å; D226-S297 WeakPolarHBondContact O-CB 3.43Å; D226-S297 PolarHBondContact O-OG 3.49Å; D227-S297 WeakPolarHBondContact CA-OG 3.42Å; Y228-S297 PolarHBondContact N-OG 3.43Å; Y228-S297 PolarHBondContact O-N 2.64Å; Y228-S297 PolarHBondContact O-OG 3.48Å
298	F	94.7	Very high	77.5	Confident	17 Å²	17	85.3 Å²	85.3	8%	0.075	47%	0.474	C	S	.	.	S	Bend	trans	-125.5	153.8	179.2	61.2	-84.2	0	0	0	110.1	F76 D227 W229 K250 S296 P300	F76-F298 WeakPolarHBondContact CD2-O 3.42Å; D227-F298 HydrophobicContact CB-CD1 3.84Å; D227-F298 HydrophobicContact CB-CE1 4.38Å; D227-F298 HydrophobicContact CB-CG 4.39Å; W229-F298 HydrophobicContact CD2-CE1 4.36Å; W229-F298 HydrophobicContact CD2-CZ 4.24Å; W229-F298 AromaticContact CE2-CZ 3.49Å; W229-F298 VanDerWaalsContact CE2-CZ 3.49Å; W229-F298 HydrophobicContact CH2-CZ 4.29Å; W229-F298 HydrophobicContact CZ2-CE1 4.37Å; W229-F298 HydrophobicContact CZ2-CE2 4.41Å; W229-F298 AromaticContact CZ2-CZ 3.52Å; W229-F298 HydrophobicContact CZ2-CZ 3.52Å; W229-F298 AromaticContact NE1-CZ 3.57Å; K250-F298 HydrophobicContact CB-CE1 3.94Å; K250-F298 HydrophobicContact CB-CZ 4.21Å; K250-F298 HydrophobicContact CD-CD1 4.01Å; K250-F298 HydrophobicContact CD-CD2 4.1Å; K250-F298 HydrophobicContact CD-CE1 3.66Å; K250-F298 HydrophobicContact CD-CE2 3.74Å; K250-F298 HydrophobicContact CD-CG 4.22Å; K250-F298 HydrophobicContact CD-CZ 3.49Å; K250-F298 VanDerWaalsContact CD-CZ 3.49Å; K250-F298 HydrophobicContact CG-CE1 4.03Å; K250-F298 HydrophobicContact CG-CE2 4.44Å; K250-F298 HydrophobicContact CG-CZ 3.81Å; K250-F298 VanDerWaalsContact NZ-CD2 3.29Å; S296-F298 WeakPolarHBondContact CB-O 3.46Å; S296-F298 PolarHBondContact O-N 3.32Å; S296-F298 PolarHBondContact OG-O 3.28Å; F298-P300 WeakPolarHBondContact O-CD 3.42Å
299	T	88.4	Confident	76.6	Confident	51 Å²	51	85.7 Å²	85.7	31%	0.313	47%	0.473	S	S	.	.			trans	-73.1	126	173	50.3	0	0	0	0	109.1	F76 F301 L302	F76-T299 HydrophobicContact CB-CG2 4.47Å; F76-T299 HydrophobicContact CD1-CG2 3.65Å; F76-T299 HydrophobicContact CD2-CG2 4.06Å; F76-T299 HydrophobicContact CE1-CG2 3.8Å; F76-T299 HydrophobicContact CE2-CG2 4.21Å; F76-T299 HydrophobicContact CG-CG2 3.78Å; F76-T299 HydrophobicContact CZ-CG2 4.08Å; T299-F301 PolarHBondContact O-N 3.12Å; T299-L302 WeakPolarHBondContact OG1-CD1 3.24Å; T299-L302 WeakPolarHBondContact OG1-CG 3.42Å
300	P	71.3	Confident	75.6	Confident	37 Å²	37	86.7 Å²	86.7	24%	0.24	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.7	178.9	-23.9	33.5	0	0	0	114.6	V71 F298	V71-P300 HydrophobicContact CG1-CB 4.24Å; F298-P300 WeakPolarHBondContact O-CD 3.42Å
301	F	64.9	Low	74.5	Confident	141 Å²	141	82.9 Å²	82.9	62%	0.618	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	8.4	-167.3	-71.3	-75.7	0	0	0	116.2	K72 T299 Q303	K72-F301 HydrophobicContact CG-CZ 4.16Å; T299-F301 PolarHBondContact O-N 3.12Å; F301-Q303 PolarHBondContact O-N 3.48Å; F301-Q303 VanDerWaalsContact O-N 3.09Å
302	L	51.3	Low	73.3	Confident	137 Å²	137	83.3 Å²	83.3	72%	0.717	45%	0.454	S	S	*	.			trans	-87.7	64.2	167.1	-72.4	175.2	0	0	0	111.5	T299	T299-L302 WeakPolarHBondContact OG1-CD1 3.24Å; T299-L302 WeakPolarHBondContact OG1-CG 3.42Å
303	Q	44.4	Very low	71.7	Confident	192 Å²	192	87.6 Å²	87.6	90%	0.897	48%	0.48	S	S	*	.			trans	-135.3	77.5	141.3	-114.2	179.8	-2.2	0	0	105.3	F301 A305	F301-Q303 PolarHBondContact O-N 3.48Å; F301-Q303 VanDerWaalsContact O-N 3.09Å; Q303-A305 PolarHBondContact O-N 3.37Å
304	E	35.3	Very low	69.7	Low	168 Å²	168	87.7 Å²	87.7	79%	0.785	48%	0.476	S	S	*	.			trans	-63.9	125.3	164.9	-69.8	-169.6	161.7	0	0	107.9
305	A	27.4	Very low	67.3	Low	90 Å²	90	94.2 Å²	94.2	74%	0.744	51%	0.511	S	S	*	.			trans	-63.1	146.9	148.4	0	0	0	0	0	107.7	Q303	Q303-A305 PolarHBondContact O-N 3.37Å
306	P	37	Very low	64.5	Low	200 Å²	200	96.1 Å²	96.1	100%	1.299	53%	0.532	S	S	*	.			cis	-107.7	0	38.8	16.8	2.3	0	0	0	115.4

Retrieved 306 of 306 residues in 60.1 ms (Link to these results)

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