A0A087XQX6_POEFO Loading...

Lipoprotein lipase

Key enzyme in triglyceride metabolism. Catalyzes the hydrolysis of triglycerides from circulating chylomicrons and very low density lipoproteins (VLDL), and thereby plays an important role in lipid clearance from the blood stream, lipid utilization and storage. Mediates margination of triglyceride-rich lipoprotein particles in capillaries. Recruited to its site of action on the luminal surface of vascular endothelium by binding to GPIHBP1 and cell surface heparan sulfate proteoglycans.

AlphaFold DB , UniProt , Accession A0A087XQX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 aa.

Structure Viewer

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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	41.5	Very low	39.3	Very low	251 Å²	251	139.3 Å²	139.3	100%	1.236	74%	0.739	S	S	*	*				0	94	0	-72.8	164.4	60.2	0	0	108.2
2	G	47	Very low	38.9	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	75%	0.745	S	S	*	*			cis	104.7	44.1	4.7	0	0	0	0	0	114.9
3	K	37.8	Very low	38.7	Very low	186 Å²	186	143.8 Å²	143.8	81%	0.809	74%	0.736	S	S	*	*	S	Bend	trans	171.8	-13.5	144.3	-98.1	172.7	178.2	-178.8	0	116
4	E	42.2	Very low	38.6	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	73%	0.73	S	S	*	*	S	Bend	trans	-90.3	-14	-178.5	-71.6	-174	155.7	0	0	115.2	I6	E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.46Å
5	M	37.8	Very low	38.4	Very low	168 Å²	168	141.7 Å²	141.7	83%	0.828	73%	0.734	S	S	*	*	S	Bend	trans	-86.1	-0.2	-176.9	-151.1	149	75.2	0	0	114.2
6	I	40.3	Very low	38.2	Very low	129 Å²	129	136.9 Å²	136.9	66%	0.662	73%	0.73	S	S	*	*	S	Bend	trans	-94.1	-22.4	-178	-64.6	173.4	0	0	0	112.2	E4 T10	E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.46Å; I6-T10 PolarHBondContact O-OG1 3.06Å
7	C	39.2	Very low	38	Very low	87 Å²	87	134.9 Å²	134.9	59%	0.588	73%	0.73	S	S	*	*	H	α-helix	trans	-80.8	-21.3	178.6	-70.7	0	0	0	0	114.1
8	F	36.1	Very low	37.8	Very low	167 Å²	167	136 Å²	136	73%	0.732	73%	0.733	S	S	*	*	H	α-helix	trans	-82.9	-19.5	179.1	-92.7	-82.6	0	0	0	113.9
9	V	37.6	Very low	37.5	Very low	93 Å²	93	138.8 Å²	138.8	56%	0.564	74%	0.74	S	S	*	*	H	α-helix	trans	-91.1	-22.2	-179.6	-178.7	0	0	0	0	112.1
10	T	35.7	Very low	37.1	Very low	89 Å²	89	136.6 Å²	136.6	55%	0.546	74%	0.742	S	S	.	*	H	α-helix	trans	-81.8	-17.3	178	9.1	0	0	0	0	114.2	I6 T14	I6-T10 PolarHBondContact O-OG1 3.06Å; T10-T14 PolarHBondContact O-OG1 2.9Å
11	I	37.7	Very low	36.7	Very low	109 Å²	109	136.2 Å²	136.2	56%	0.559	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-18.5	176.4	-69.7	168.9	0	0	0	112.1
12	W	33.5	Very low	35.9	Very low	214 Å²	214	134.5 Å²	134.5	81%	0.811	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-9.9	175.8	-86.5	81.4	0	0	0	114.5
13	I	36.5	Very low	34.9	Very low	123 Å²	123	135.6 Å²	135.6	63%	0.631	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-14.5	176.8	-63.6	177.7	0	0	0	112
14	T	37.5	Very low	34.5	Very low	106 Å²	106	131.4 Å²	131.4	65%	0.65	72%	0.721	S	S	*	*	S	Bend	trans	-98.6	-2.2	175.9	50	0	0	0	0	114.8	T10	T10-T14 PolarHBondContact O-OG1 2.9Å
15	L	35.8	Very low	33.6	Very low	150 Å²	150	130 Å²	130	79%	0.785	72%	0.719	S	S	*	*	S	Bend	trans	-105	4.3	171.9	-101.3	116.9	0	0	0	114.5
16	G	35.5	Very low	33.1	Very low	65 Å²	65	128.6 Å²	128.6	67%	0.67	72%	0.719	S	S	*	*	S	Bend	trans	-98.6	-0.3	179.5	0	0	0	0	0	116.1
17	S	34	Very low	32.4	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	73%	0.726	S	S	*	*	S	Bend	trans	-123.5	19.6	-169.5	-54.3	0	0	0	0	115.5
18	I	34.3	Very low	31.9	Very low	154 Å²	154	132 Å²	132	79%	0.79	73%	0.734	S	S	*	*			trans	-127.9	64	169.1	-47.6	177.8	0	0	0	108.9
19	H	32.6	Very low	31.4	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.875	74%	0.741	S	S	*	*	S	Bend	trans	-141.6	133.2	153.8	-101.6	54.9	0	0	0	107.5
20	A	29.1	Very low	31.1	Very low	94 Å²	94	130.6 Å²	130.6	78%	0.777	75%	0.749	S	S	*	*			trans	81.4	87.7	178.1	0	0	0	0	0	117.3
21	T	29.8	Very low	30.6	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	76%	0.762	S	S	*	*				-171.8	93.8	118.2	13.9	0	0	0	0	110.6
22	F	24.3	Very low	30.1	Very low	214 Å²	214	134.3 Å²	134.3	94%	0.939	78%	0.776	S	S	*	*			trans	-139	85.9	143.9	-91.8	-77.1	0	0	0	106
23	S	26.5	Very low	29.7	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	77%	0.772	S	S	*	*			trans	-75.6	117.9	153.3	-170.5	0	0	0	0	105.3
24	S	27.7	Very low	29.2	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	78%	0.778	S	S	*	*			trans	-115.1	98.7	159.2	60.7	0	0	0	0	106.7	V26	S24-V26 PolarHBondContact O-N 2.85Å
25	D	24.2	Very low	28.6	Very low	148 Å²	148	133 Å²	133	79%	0.791	79%	0.79	S	S	*	*			trans	-52.7	126.1	163.3	-66	-53	0	0	0	108.7
26	V	27.7	Very low	28	Very low	138 Å²	138	129.6 Å²	129.6	84%	0.836	78%	0.783	S	S	*	*			trans	-100.9	95.9	167.4	178.3	0	0	0	0	106.3	S24	S24-V26 PolarHBondContact O-N 2.85Å
27	E	25.5	Very low	27.6	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	79%	0.79	S	S	*	*			trans	-82.5	145.7	159.9	-104.7	-167.9	161.3	0	0	110.4	T29	E27-T29 PolarHBondContact O-N 3.4Å
28	P	28.7	Very low	27.3	Very low	117 Å²	117	134 Å²	134	76%	0.76	79%	0.792	S	S	*	*			trans	-88.1	109.7	-166.2	33.5	-30.1	0	0	0	110.9
29	T	26.3	Very low	27	Very low	142 Å²	142	132.7 Å²	132.7	87%	0.871	79%	0.791	S	S	*	*			trans	-95	100.2	164.6	45.8	0	0	0	0	109.9	E27 N31	E27-T29 PolarHBondContact O-N 3.4Å; T29-N31 PolarHBondContact O-N 2.89Å
30	A	31	Very low	26.9	Very low	88 Å²	88	129.8 Å²	129.8	73%	0.727	79%	0.786	S	S	*	*			trans	-53.9	124.1	157.2	0	0	0	0	0	109.3
31	N	25.2	Very low	27	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	78%	0.783	S	S	*	*			trans	-159.6	82.5	144.8	-93.4	-20.5	0	0	0	107.9	T29 T33	T29-N31 PolarHBondContact O-N 2.89Å; N31-T33 PolarHBondContact O-N 3.26Å; N31-T33 VanDerWaalsContact O-N 3.11Å
32	S	26.7	Very low	27.4	Very low	121 Å²	121	132.5 Å²	132.5	85%	0.846	79%	0.787	S	S	*	*			trans	-63.8	96.7	159.9	54.3	0	0	0	0	109.1
33	T	25.7	Very low	28	Very low	120 Å²	120	126.1 Å²	126.1	74%	0.736	77%	0.774	S	S	*	*			trans	-94.9	94.4	155.7	39.9	0	0	0	0	107.9	N31 F35	N31-T33 PolarHBondContact O-N 3.26Å; N31-T33 VanDerWaalsContact O-N 3.11Å; T33-F35 PolarHBondContact O-N 3.44Å
34	A	25.3	Very low	28.5	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	78%	0.778	S	S	*	*			trans	-54.6	116.9	165.9	0	0	0	0	0	109.7	A36	A34-A36 PolarHBondContact O-N 2.9Å
35	F	24.1	Very low	28.9	Very low	205 Å²	205	128.2 Å²	128.2	90%	0.899	78%	0.78	S	S	*	*			trans	-84.1	91.9	155.4	-88.6	-83.1	0	0	0	107.5	T33	T33-F35 PolarHBondContact O-N 3.44Å
36	A	24.1	Very low	29.7	Very low	78 Å²	78	125.7 Å²	125.7	65%	0.645	77%	0.772	S	S	*	*			trans	-72.8	138.9	166.6	0	0	0	0	0	110.3	A34	A34-A36 PolarHBondContact O-N 2.9Å
37	N	27.4	Very low	30.4	Very low	154 Å²	154	126 Å²	126	82%	0.824	78%	0.775	S	S	*	*			trans	49.2	87.8	150.2	-62.7	-7.5	0	0	0	117.9
38	S	26.5	Very low	31.5	Very low	109 Å²	109	120.9 Å²	120.9	76%	0.762	76%	0.755	S	S	*	*			trans	-90.7	112.8	133.1	50.2	0	0	0	0	107.6	V40	S38-V40 PolarHBondContact O-N 3.3Å
39	T	28.9	Very low	33	Very low	125 Å²	125	120.1 Å²	120.1	77%	0.767	75%	0.748	S	S	*	*			trans	-52.4	103.2	168.1	41.8	0	0	0	0	109.1	T41	T39-T41 VanDerWaalsContact C-N 3.26Å; T39-T41 PolarHBondContact O-N 2.93Å
40	V	31.4	Very low	34.7	Very low	129 Å²	129	119.4 Å²	119.4	78%	0.782	74%	0.735	S	S	*	*			trans	-67.9	97.4	157.8	178.7	0	0	0	0	104.7	S38 D42	S38-V40 PolarHBondContact O-N 3.3Å; V40-D42 PolarHBondContact O-N 2.88Å; V40-D42 VanDerWaalsContact O-N 3.16Å
41	T	30.1	Very low	36.7	Very low	116 Å²	116	119.5 Å²	119.5	71%	0.712	72%	0.717	S	S	*	*			trans	-53.5	119.3	160.5	41.8	0	0	0	0	106.8	T39 A43	T39-T41 VanDerWaalsContact C-N 3.26Å; T39-T41 PolarHBondContact O-N 2.93Å; T41-A43 PolarHBondContact O-N 3.4Å
42	D	38.6	Very low	39	Very low	164 Å²	164	112.6 Å²	112.6	88%	0.877	68%	0.68	S	S	*	*			trans	-51.4	89.7	165.8	-81.8	-41.5	0	0	0	108.6	V40	V40-D42 PolarHBondContact O-N 2.88Å; V40-D42 VanDerWaalsContact O-N 3.16Å
43	A	35.6	Very low	41.5	Very low	81 Å²	81	110.9 Å²	110.9	67%	0.669	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-75.3	120.8	164.7	0	0	0	0	0	105.8	T41 V45	T41-A43 PolarHBondContact O-N 3.4Å; A43-V45 PolarHBondContact O-N 2.84Å
44	P	37.2	Very low	44.4	Very low	118 Å²	118	108.8 Å²	108.8	77%	0.766	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-61.4	132.4	178.6	24.9	-30.5	0	0	0	108.6	P46	P44-P46 VanDerWaalsContact O-N 3.15Å
45	V	36.8	Very low	47.5	Very low	122 Å²	122	106.4 Å²	106.4	74%	0.739	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-49.9	120.5	171.6	177.3	0	0	0	0	107.8	A43 T47	A43-V45 PolarHBondContact O-N 2.84Å; V45-T47 PolarHBondContact O-N 3.43Å; V45-T47 PolarHBondContact O-OG1 2.75Å
46	P	40.6	Very low	50.6	Low	95 Å²	95	102.7 Å²	102.7	62%	0.617	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-63	116.3	-177.3	-2.2	10.4	0	0	0	108.1	P44 T48	P44-P46 VanDerWaalsContact O-N 3.15Å; P46-T48 PolarHBondContact O-N 3.41Å
47	T	42.4	Very low	53.7	Low	145 Å²	145	101.4 Å²	101.4	89%	0.89	60%	0.598	S	S	*	*			trans	-85.3	16.1	179.7	-4.9	0	0	0	0	111.6	V45	V45-T47 PolarHBondContact O-N 3.43Å; V45-T47 PolarHBondContact O-OG1 2.75Å
48	T	49.6	Very low	57	Low	63 Å²	63	95.7 Å²	95.7	39%	0.387	57%	0.567	S	S	.	*	S	Bend	trans	-118.9	136.4	-176.7	52.9	0	0	0	0	110.6	P46 E50	P46-T48 PolarHBondContact O-N 3.41Å; T48-E50 WeakPolarHBondContact CB-OE2 3.4Å; T48-E50 PolarHBondContact O-N 2.72Å; T48-E50 PolarHBondContact OG1-OE2 2.96Å
49	T	59.2	Low	60.3	Low	101 Å²	101	94.4 Å²	94.4	62%	0.62	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-62.4	5.5	171	38	0	0	0	0	113.9	W51 M52	T49-W51 VanDerWaalsContact C-N 3.25Å; T49-W51 PolarHBondContact O-N 3.45Å; T49-M52 PolarHBondContact O-N 3.44Å; T49-M52 VanDerWaalsContact O-N 3.14Å
50	E	61.5	Low	63.6	Low	127 Å²	127	88.8 Å²	88.8	59%	0.593	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-59.7	-31.1	-177.9	-75.3	171.4	154.1	0	0	113.1	T48 M52 T53 D54	T48-E50 WeakPolarHBondContact CB-OE2 3.4Å; T48-E50 PolarHBondContact O-N 2.72Å; T48-E50 PolarHBondContact OG1-OE2 2.96Å; E50-M52 PolarHBondContact O-N 3.17Å; E50-T53 WeakPolarHBondContact CA-OG1 3.33Å; E50-T53 PolarHBondContact O-N 2.78Å; E50-T53 PolarHBondContact O-OG1 3.16Å; E50-D54 PolarHBondContact O-N 2.89Å
51	W	73.2	Confident	66.8	Low	91 Å²	91	87.9 Å²	87.9	35%	0.345	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-63.7	-26	178.5	78.3	-92.1	0	0	0	112.7	T49 T53 R154 K158 L192	T49-W51 VanDerWaalsContact C-N 3.25Å; T49-W51 PolarHBondContact O-N 3.45Å; W51-T53 VanDerWaalsContact C-N 3.33Å; W51-R154 HydrophobicContact CE3-CG 4.32Å; W51-R154 HydrophobicContact CH2-CG 4.37Å; W51-R154 HydrophobicContact CZ3-CG 3.58Å; W51-K158 HydrophobicContact CE3-CG 4.44Å; W51-K158 HydrophobicContact CZ3-CG 4Å; W51-K158 WeakPolarHBondContact O-CE 3.1Å; W51-K158 PolarHBondContact O-NZ 3.3Å; W51-L192 HydrophobicContact CH2-CB 4.49Å
52	M	73.9	Confident	70	Confident	11 Å²	11	82.6 Å²	82.6	5%	0.054	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-83.4	-7.4	176.5	-74.1	-154	-75.5	0	0	113.9	T49 E50 F55 T161 D194	T49-M52 PolarHBondContact O-N 3.44Å; T49-M52 VanDerWaalsContact O-N 3.14Å; E50-M52 PolarHBondContact O-N 3.17Å; M52-F55 WeakPolarHBondContact O-CE1 3.27Å; M52-T161 HydrophobicContact SD-CG2 4.24Å; M52-D194 WeakPolarHBondContact CE-OD1 3.39Å
53	T	78.6	Confident	72.8	Confident	85 Å²	85	74.8 Å²	74.8	52%	0.521	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-11	-179.7	50.8	0	0	0	0	113.4	E50 W51 F55	E50-T53 WeakPolarHBondContact CA-OG1 3.33Å; E50-T53 PolarHBondContact O-N 2.78Å; E50-T53 PolarHBondContact O-OG1 3.16Å; W51-T53 VanDerWaalsContact C-N 3.33Å; T53-F55 WeakPolarHBondContact O-CD2 3.49Å; T53-F55 VanDerWaalsContact O-CE2 3.31Å; T53-F55 WeakPolarHBondContact O-CE2 3.4Å
54	D	87.3	Confident	75.7	Confident	75 Å²	75	71.5 Å²	71.5	40%	0.401	40%	0.402	S	S	.	.			trans	-88.7	118.8	166.6	-178.3	8.7	0	0	0	110.1	E50 T56 K158	E50-D54 PolarHBondContact O-N 2.89Å; D54-T56 WeakPolarHBondContact OD1-CB 3.28Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.42Å; D54-T56 PolarHBondContact OD1-N 3.28Å; D54-T56 PolarHBondContact OD1-OG1 3.34Å; D54-T56 PolarHBondContact OD2-OG1 3.07Å; D54-K158 PolarHBondContact O-NZ 2.81Å
55	F	91	Very high	78.5	Confident	41 Å²	41	66 Å²	66	18%	0.18	37%	0.366	C	S	.	.			trans	-107.3	-0.3	-177.5	-51.3	-63.4	0	0	0	113.1	M52 T53 D57 I58 A79 G80 K158 W162	M52-F55 WeakPolarHBondContact O-CE1 3.27Å; T53-F55 WeakPolarHBondContact O-CD2 3.49Å; T53-F55 VanDerWaalsContact O-CE2 3.31Å; T53-F55 WeakPolarHBondContact O-CE2 3.4Å; F55-D57 PolarHBondContact O-N 3.49Å; F55-I58 HydrophobicContact CB-CD1 4.09Å; F55-I58 HydrophobicContact CD1-CD1 3.89Å; F55-I58 HydrophobicContact CG-CD1 4.47Å; F55-I58 WeakPolarHBondContact O-CB 3.35Å; F55-I58 PolarHBondContact O-N 2.82Å; F55-A79 HydrophobicContact CB-CB 4.05Å; F55-A79 HydrophobicContact CD1-CB 3.59Å; F55-A79 HydrophobicContact CD2-CB 4.39Å; F55-A79 HydrophobicContact CE1-CB 4.14Å; F55-A79 HydrophobicContact CG-CB 3.74Å; F55-G80 VanDerWaalsContact CD2-CA 3.42Å; F55-K158 HydrophobicContact CD1-CB 4.43Å; F55-K158 HydrophobicContact CE1-CB 4.47Å; F55-W162 HydrophobicContact CE1-CB 3.7Å; F55-W162 HydrophobicContact CE1-CG 4.11Å; F55-W162 AromaticContact CE2-CD1 3.71Å; F55-W162 HydrophobicContact CE2-CG 4.27Å; F55-W162 HydrophobicContact CZ-CB 3.67Å; F55-W162 AromaticContact CZ-CD1 3.47Å; F55-W162 VanDerWaalsContact CZ-CD1 3.47Å; F55-W162 AromaticContact CZ-CG 3.73Å; F55-W162 HydrophobicContact CZ-CG 3.73Å
56	T	88.3	Confident	81.2	Confident	127 Å²	127	63.2 Å²	63.2	78%	0.779	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.3	-174	60.2	0	0	0	0	113.7	D54	D54-T56 WeakPolarHBondContact OD1-CB 3.28Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.42Å; D54-T56 PolarHBondContact OD1-N 3.28Å; D54-T56 PolarHBondContact OD1-OG1 3.34Å; D54-T56 PolarHBondContact OD2-OG1 3.07Å
57	D	90.6	Very high	83.5	Confident	50 Å²	50	61.2 Å²	61.2	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.2	-179.7	71.1	-26.7	0	0	0	113.9	F55 V59 R154 K158	F55-D57 PolarHBondContact O-N 3.49Å; D57-V59 PolarHBondContact O-N 3.25Å; D57-R154 IonicContact OD2-CZ 3.46Å; D57-R154 IonicContact OD2-NH1 3.07Å; D57-R154 PolarHBondContact OD2-NH1 2.94Å; D57-R154 VanDerWaalsContact OD2-NH1 3.11Å; D57-R154 IonicContact OD2-NH2 3.53Å; D57-R154 PolarHBondContact OD2-NH2 3.16Å; D57-K158 VanDerWaalsContact CG-NZ 3.31Å; D57-K158 IonicContact OD1-NZ 3.2Å; D57-K158 PolarHBondContact OD1-NZ 2.87Å; D57-K158 IonicContact OD2-NZ 2.76Å; D57-K158 PolarHBondContact OD2-NZ 2.83Å
58	I	94.7	Very high	85.7	Confident	34 Å²	34	61.6 Å²	61.6	17%	0.174	33%	0.332	C	S	.	.			trans	-71.6	122.6	174.5	-67.6	-179.2	0	0	0	109	F55 S60 F62 A79 D155 K158	F55-I58 HydrophobicContact CB-CD1 4.09Å; F55-I58 HydrophobicContact CD1-CD1 3.89Å; F55-I58 HydrophobicContact CG-CD1 4.47Å; F55-I58 WeakPolarHBondContact O-CB 3.35Å; F55-I58 PolarHBondContact O-N 2.82Å; I58-S60 VanDerWaalsContact CG2-O 3.27Å; I58-S60 WeakPolarHBondContact CG2-O 3.23Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-A79 HydrophobicContact CD1-CB 3.96Å; I58-D155 HydrophobicContact CG1-CB 4.46Å; I58-D155 HydrophobicContact CG2-CB 4.17Å; I58-K158 HydrophobicContact CD1-CB 3.88Å; I58-K158 HydrophobicContact CD1-CD 4.14Å; I58-K158 HydrophobicContact CG1-CD 4.11Å
59	V	97	Very high	87.5	Confident	83 Å²	83	62.7 Å²	62.7	50%	0.503	34%	0.336	S	S	.	.			trans	-104	-32.1	176.8	178.4	0	0	0	0	111.2	D57 R137 D155	D57-V59 PolarHBondContact O-N 3.25Å; V59-R137 VanDerWaalsContact CG2-NH2 3.34Å; V59-D155 PolarHBondContact N-OD2 2.78Å; V59-D155 VanDerWaalsContact N-OD2 3.15Å
60	S	98.1	Very high	88.7	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.049	31%	0.312	C	S	.	.			trans	-63.5	142.7	175.7	-67.3	0	0	0	0	111.7	I58 F62 D133 D155	I58-S60 VanDerWaalsContact CG2-O 3.27Å; I58-S60 WeakPolarHBondContact CG2-O 3.23Å; S60-F62 WeakPolarHBondContact O-CE2 3.2Å; S60-D133 CarbonylContact C-O 3.59Å; S60-D133 VanDerWaalsContact CA-O 3.3Å; S60-D133 WeakPolarHBondContact CA-O 3.39Å; S60-D155 PolarHBondContact N-OD2 3.19Å
61	K	98	Very high	89.9	Confident	110 Å²	110	57.8 Å²	57.8	48%	0.478	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151	176.5	-46.5	173.2	-175	162.5	0	110.3	Y76 V132 D133	K61-Y76 HydrophobicContact CB-CD1 3.67Å; K61-Y76 HydrophobicContact CB-CE1 3.64Å; K61-Y76 HydrophobicContact CD-CD1 4.36Å; K61-Y76 HydrophobicContact CD-CE1 3.87Å; K61-Y76 HydrophobicContact CG-CE1 4.43Å; K61-V132 CarbonylContact O-C 3.57Å; K61-V132 WeakPolarHBondContact O-CA 3.3Å; K61-D133 HydrophobicContact CB-CB 4.13Å; K61-D133 PolarHBondContact N-O 3.44Å; K61-D133 PolarHBondContact O-N 2.88Å
62	F	98.2	Very high	90.3	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	96.3	-174.2	-56.3	-88.5	0	0	0	109.1	I58 S60 Y76 M77 I130 V132 V156 F159	I58-F62 HydrophobicContact CG2-CE2 3.93Å; S60-F62 WeakPolarHBondContact O-CE2 3.2Å; F62-Y76 WeakPolarHBondContact O-CA 3.48Å; F62-M77 PolarHBondContact O-N 3.11Å; F62-I130 HydrophobicContact CB-CG2 3.95Å; F62-I130 HydrophobicContact CD1-CG2 4.48Å; F62-V132 HydrophobicContact CD1-CG2 3.98Å; F62-V132 HydrophobicContact CE1-CG1 4.2Å; F62-V132 HydrophobicContact CE1-CG2 4.08Å; F62-V156 HydrophobicContact CE1-CB 4.49Å; F62-V156 HydrophobicContact CE1-CG2 4.05Å; F62-F159 HydrophobicContact CB-CD2 4.1Å; F62-F159 HydrophobicContact CB-CE1 4.21Å; F62-F159 HydrophobicContact CB-CE2 3.74Å; F62-F159 HydrophobicContact CB-CG 4.49Å; F62-F159 HydrophobicContact CB-CZ 3.83Å; F62-F159 HydrophobicContact CD1-CB 4.14Å; F62-F159 AromaticContact CD1-CD1 3.54Å; F62-F159 HydrophobicContact CD1-CD1 3.54Å; F62-F159 AromaticContact CD1-CD2 3.99Å; F62-F159 HydrophobicContact CD1-CD2 3.99Å; F62-F159 AromaticContact CD1-CE1 3.95Å; F62-F159 HydrophobicContact CD1-CE1 3.95Å; F62-F159 HydrophobicContact CD1-CE2 4.35Å; F62-F159 AromaticContact CD1-CG 3.59Å; F62-F159 HydrophobicContact CD1-CG 3.59Å; F62-F159 HydrophobicContact CD1-CZ 4.35Å; F62-F159 HydrophobicContact CD2-CB 4.18Å; F62-F159 HydrophobicContact CD2-CD1 4.45Å; F62-F159 AromaticContact CD2-CD2 3.38Å; F62-F159 HydrophobicContact CD2-CD2 3.38Å; F62-F159 AromaticContact CD2-CE2 3.89Å; F62-F159 HydrophobicContact CD2-CE2 3.89Å; F62-F159 AromaticContact CD2-CG 3.73Å; F62-F159 HydrophobicContact CD2-CG 3.73Å; F62-F159 HydrophobicContact CE1-CB 3.62Å; F62-F159 AromaticContact CE1-CD1 3.78Å; F62-F159 HydrophobicContact CE1-CD1 3.78Å; F62-F159 HydrophobicContact CE1-CD2 4.29Å; F62-F159 AromaticContact CE1-CG 3.61Å; F62-F159 HydrophobicContact CE1-CG 3.61Å; F62-F159 HydrophobicContact CE2-CB 3.68Å; F62-F159 AromaticContact CE2-CD2 3.75Å; F62-F159 HydrophobicContact CE2-CD2 3.75Å; F62-F159 AromaticContact CE2-CG 3.77Å; F62-F159 HydrophobicContact CE2-CG 3.77Å; F62-F159 HydrophobicContact CG-CB 4.4Å; F62-F159 AromaticContact CG-CD1 3.92Å; F62-F159 HydrophobicContact CG-CD1 3.92Å; F62-F159 AromaticContact CG-CD2 3.53Å; F62-F159 HydrophobicContact CG-CD2 3.53Å; F62-F159 HydrophobicContact CG-CE1 4.1Å; F62-F159 AromaticContact CG-CE2 3.72Å; F62-F159 HydrophobicContact CG-CE2 3.72Å; F62-F159 AromaticContact CG-CG 3.65Å; F62-F159 HydrophobicContact CG-CG 3.65Å; F62-F159 HydrophobicContact CG-CZ 4.02Å; F62-F159 HydrophobicContact CZ-CB 3.37Å; F62-F159 HydrophobicContact CZ-CD1 4.36Å; F62-F159 HydrophobicContact CZ-CD2 4.19Å; F62-F159 AromaticContact CZ-CG 3.71Å; F62-F159 HydrophobicContact CZ-CG 3.71Å
63	S	97.5	Very high	90.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.3	-178.9	-177.2	0	0	0	0	111	R65 D73 C75 I130 V131	S63-R65 PolarHBondContact O-N 2.83Å; S63-D73 WeakPolarHBondContact CB-OD1 3.02Å; S63-D73 WeakPolarHBondContact OG-CA 3.37Å; S63-D73 PolarHBondContact OG-OD1 3.2Å; S63-C75 CarbonylContact C-O 3.56Å; S63-C75 WeakPolarHBondContact CA-O 3.42Å; S63-C75 PolarHBondContact OG-O 3.45Å; S63-C75 VanDerWaalsContact OG-O 3.12Å; S63-I130 CarbonylContact O-C 3.48Å; S63-I130 VanDerWaalsContact O-CA 3.27Å; S63-I130 WeakPolarHBondContact O-CA 3.32Å; S63-V131 PolarHBondContact N-O 2.9Å; S63-V131 PolarHBondContact O-N 3.12Å
64	L	96.9	Very high	90.5	Very high	12 Å²	12	61.1 Å²	61.1	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.3	168.4	-173.4	58.9	0	0	0	108.5	C75 M77 C88 F90 N128 I130	L64-C75 PolarHBondContact N-O 3.42Å; L64-M77 HydrophobicContact CB-CE 3.92Å; L64-M77 HydrophobicContact CD1-CE 4.4Å; L64-M77 HydrophobicContact CD2-CE 4.49Å; L64-M77 HydrophobicContact CD2-SD 4.49Å; L64-C88 HydrophobicContact CB-CB 4.19Å; L64-C88 HydrophobicContact CD2-CB 3.84Å; L64-C88 VanDerWaalsContact CD2-O 3.3Å; L64-C88 WeakPolarHBondContact CD2-O 3.36Å; L64-F90 HydrophobicContact CD1-CD2 4.47Å; L64-F90 HydrophobicContact CD2-CB 3.99Å; L64-F90 HydrophobicContact CD2-CD2 4.21Å; L64-N128 HydrophobicContact CD1-CB 3.88Å; L64-I130 HydrophobicContact CD1-CG1 3.98Å
65	R	95.5	Very high	90.8	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	160.3	179.2	-56	-53.7	-167.9	113	8	110.8	S63 P70 D71 D72 D73 V117 Y121 V129 V131	S63-R65 PolarHBondContact O-N 2.83Å; R65-P70 PolarHBondContact NH1-O 2.81Å; R65-D71 PolarHBondContact NH1-O 3.27Å; R65-D72 VanDerWaalsContact CD-O 3.25Å; R65-D72 WeakPolarHBondContact CD-O 3.28Å; R65-D72 PolarHBondContact NH1-O 3.31Å; R65-D73 IonicContact CZ-OD1 2.92Å; R65-D73 IonicContact CZ-OD2 3.61Å; R65-D73 IonicContact NE-OD1 2.68Å; R65-D73 PolarHBondContact NE-OD1 3.33Å; R65-D73 IonicContact NH1-OD1 3.12Å; R65-D73 IonicContact NH2-OD1 2.6Å; R65-D73 PolarHBondContact NH2-OD1 2.78Å; R65-D73 IonicContact NH2-OD2 2.93Å; R65-D73 PolarHBondContact NH2-OD2 3.49Å; R65-V117 HydrophobicContact CB-CG1 3.74Å; R65-V117 HydrophobicContact CG-CG1 4.34Å; R65-V117 HydrophobicContact CG-CG2 4.3Å; R65-Y121 PolarHBondContact O-OH 2.77Å; R65-V129 PolarHBondContact N-O 3.35Å; R65-V131 HydrophobicContact CG-CB 4.24Å; R65-V131 HydrophobicContact CG-CG2 3.58Å
66	T	92.9	Very high	91	Very high	62 Å²	62	61 Å²	61	38%	0.38	33%	0.327	S	S	.	.			trans	-117.4	167.6	173.1	78.3	0	0	0	0	111.4	E68 L69	T66-E68 VanDerWaalsContact C-N 3.32Å; T66-E68 VanDerWaalsContact CB-OE2 3.26Å; T66-E68 WeakPolarHBondContact CB-OE2 2.98Å; T66-E68 PolarHBondContact OG1-OE2 3.02Å; T66-L69 CarbonylContact O-C 3.54Å; T66-L69 PolarHBondContact OG1-N 2.87Å
67	A	89.4	Confident	91.4	Very high	53 Å²	53	55 Å²	55	44%	0.438	29%	0.291	S	S	.	.	S	Bend	trans	-70.5	-30.6	178	0	0	0	0	0	112.1	Y121	A67-Y121 HydrophobicContact CB-CD1 4.19Å; A67-Y121 HydrophobicContact CB-CD2 4.1Å; A67-Y121 HydrophobicContact CB-CG 3.84Å
68	E	87.8	Confident	91.7	Very high	153 Å²	153	55.5 Å²	55.5	72%	0.715	30%	0.295	S	S	*	.	S	Bend	trans	-75.8	-35.4	-179.1	-56.7	75.7	-162.9	0	0	112.4	T66 P70	T66-E68 VanDerWaalsContact C-N 3.32Å; T66-E68 VanDerWaalsContact CB-OE2 3.26Å; T66-E68 WeakPolarHBondContact CB-OE2 2.98Å; T66-E68 PolarHBondContact OG1-OE2 3.02Å; E68-P70 VanDerWaalsContact C-CD 3.48Å
69	L	87.7	Confident	91.7	Very high	87 Å²	87	54.4 Å²	54.4	46%	0.455	29%	0.292	S	S	.	.			trans	-128.8	69.1	-177.4	-62.2	174.1	0	0	0	110.4	T66 D71 D72	T66-L69 CarbonylContact O-C 3.54Å; T66-L69 PolarHBondContact OG1-N 2.87Å; L69-D71 PolarHBondContact O-N 2.88Å; L69-D72 HydrophobicContact CB-CB 4.22Å; L69-D72 PolarHBondContact O-N 3.17Å
70	P	85.1	Confident	91.6	Very high	19 Å²	19	52.3 Å²	52.3	12%	0.123	29%	0.286	C	S	.	.	S	Bend	trans	-68	-19.8	-177.8	27	-33.7	0	0	0	113.4	R65 E68 P114 V117 S118	R65-P70 PolarHBondContact NH1-O 2.81Å; E68-P70 VanDerWaalsContact C-CD 3.48Å; P70-P114 HydrophobicContact CB-CB 4.34Å; P70-V117 HydrophobicContact CB-CB 4.16Å; P70-V117 HydrophobicContact CB-CG1 3.84Å; P70-S118 WeakPolarHBondContact CB-OG 3.23Å; P70-S118 WeakPolarHBondContact CG-OG 3.41Å
71	D	86.9	Confident	91.4	Very high	105 Å²	105	58.9 Å²	58.9	56%	0.561	31%	0.31	S	S	*	.	S	Bend	trans	-90.8	-22.9	-176.5	-64.1	33.2	0	0	0	112.5	R65 L69 P114	R65-D71 PolarHBondContact NH1-O 3.27Å; L69-D71 PolarHBondContact O-N 2.88Å; D71-P114 HydrophobicContact CB-CB 4.31Å; D71-P114 VanDerWaalsContact CG-CB 3.47Å; D71-P114 WeakPolarHBondContact OD1-CB 3.43Å
72	D	80.6	Confident	91.3	Very high	73 Å²	73	56.1 Å²	56.1	39%	0.39	30%	0.303	S	S	.	.			trans	-95.2	134.2	-172	-64.3	-21	0	0	0	113.8	R65 L69 M74	R65-D72 VanDerWaalsContact CD-O 3.25Å; R65-D72 WeakPolarHBondContact CD-O 3.28Å; R65-D72 PolarHBondContact NH1-O 3.31Å; L69-D72 HydrophobicContact CB-CB 4.22Å; L69-D72 PolarHBondContact O-N 3.17Å; D72-M74 VanDerWaalsContact C-N 3.31Å; D72-M74 HydrophobicContact CB-CG 3.62Å; D72-M74 HydrophobicContact CB-SD 4.06Å; D72-M74 PolarHBondContact O-N 3.26Å
73	D	78.4	Confident	91.2	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.214	33%	0.325	C	S	.	.			trans	-88.5	64.8	172.4	-68.4	-72.4	0	0	0	110.9	S63 R65 Y76 F109	S63-D73 WeakPolarHBondContact CB-OD1 3.02Å; S63-D73 WeakPolarHBondContact OG-CA 3.37Å; S63-D73 PolarHBondContact OG-OD1 3.2Å; R65-D73 IonicContact CZ-OD1 2.92Å; R65-D73 IonicContact CZ-OD2 3.61Å; R65-D73 IonicContact NE-OD1 2.68Å; R65-D73 PolarHBondContact NE-OD1 3.33Å; R65-D73 IonicContact NH1-OD1 3.12Å; R65-D73 IonicContact NH2-OD1 2.6Å; R65-D73 PolarHBondContact NH2-OD1 2.78Å; R65-D73 IonicContact NH2-OD2 2.93Å; R65-D73 PolarHBondContact NH2-OD2 3.49Å; D73-Y76 HydrophobicContact CB-CE1 4.37Å; D73-Y76 HydrophobicContact CB-CE2 4.04Å; D73-Y76 WeakPolarHBondContact CB-OH 3.35Å; D73-Y76 VanDerWaalsContact O-CE2 3.24Å; D73-Y76 WeakPolarHBondContact O-CE2 3.45Å; D73-F109 VanDerWaalsContact OD2-CE2 3.25Å; D73-F109 WeakPolarHBondContact OD2-CE2 3.2Å
74	M	78.8	Confident	91.2	Very high	145 Å²	145	61.3 Å²	61.3	71%	0.714	33%	0.328	S	S	*	.			trans	-81.1	-32.3	-172.6	-64.5	-54.5	-67.9	0	0	113.7	D72	D72-M74 VanDerWaalsContact C-N 3.31Å; D72-M74 HydrophobicContact CB-CG 3.62Å; D72-M74 HydrophobicContact CB-SD 4.06Å; D72-M74 PolarHBondContact O-N 3.26Å
75	C	92.9	Very high	91.1	Very high	33 Å²	33	61.1 Å²	61.1	22%	0.223	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125	-177.5	-151.6	0	0	0	0	112	S63 L64 C88	S63-C75 CarbonylContact C-O 3.56Å; S63-C75 WeakPolarHBondContact CA-O 3.42Å; S63-C75 PolarHBondContact OG-O 3.45Å; S63-C75 VanDerWaalsContact OG-O 3.12Å; L64-C75 PolarHBondContact N-O 3.42Å; C75-C88 HydrophobicContact CB-CB 3.84Å; C75-C88 WeakPolarHBondContact CB-SG 3.34Å; C75-C88 WeakPolarHBondContact SG-CA 3.27Å; C75-C88 WeakPolarHBondContact SG-CB 3.11Å; C75-C88 CovalentContact SG-SG 2.03Å; C75-C88 PolarHBondContact SG-SG 3.39Å
76	Y	96.2	Very high	91.1	Very high	79 Å²	79	66.4 Å²	66.4	31%	0.31	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.6	179.3	-70.6	-84.5	0	0	0	110.3	K61 F62 D73	K61-Y76 HydrophobicContact CB-CD1 3.67Å; K61-Y76 HydrophobicContact CB-CE1 3.64Å; K61-Y76 HydrophobicContact CD-CD1 4.36Å; K61-Y76 HydrophobicContact CD-CE1 3.87Å; K61-Y76 HydrophobicContact CG-CE1 4.43Å; F62-Y76 WeakPolarHBondContact O-CA 3.48Å; D73-Y76 HydrophobicContact CB-CE1 4.37Å; D73-Y76 HydrophobicContact CB-CE2 4.04Å; D73-Y76 WeakPolarHBondContact CB-OH 3.35Å; D73-Y76 VanDerWaalsContact O-CE2 3.24Å; D73-Y76 WeakPolarHBondContact O-CE2 3.45Å
77	M	96.5	Very high	91.2	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.1	169.1	-67.9	-178	-69.5	0	0	109.2	F62 L64 C88 F90 I130 F159	F62-M77 PolarHBondContact O-N 3.11Å; L64-M77 HydrophobicContact CB-CE 3.92Å; L64-M77 HydrophobicContact CD1-CE 4.4Å; L64-M77 HydrophobicContact CD2-CE 4.49Å; L64-M77 HydrophobicContact CD2-SD 4.49Å; M77-C88 HydrophobicContact CG-CB 4.16Å; M77-F90 HydrophobicContact CE-CD2 4.17Å; M77-F90 HydrophobicContact SD-CB 4.18Å; M77-F90 HydrophobicContact SD-CD2 3.92Å; M77-F90 HydrophobicContact SD-CG 4.29Å; M77-I130 HydrophobicContact CE-CD1 3.33Å; M77-I130 HydrophobicContact CE-CG1 3.54Å; M77-I130 HydrophobicContact CE-CG2 4.34Å; M77-F159 HydrophobicContact CB-CE2 3.86Å; M77-F159 HydrophobicContact CB-CZ 3.97Å; M77-F159 HydrophobicContact CE-CZ 3.93Å; M77-F159 HydrophobicContact SD-CZ 4.48Å
78	V	96.7	Very high	91.4	Very high	60 Å²	60	68.5 Å²	68.5	36%	0.364	36%	0.358	S	S	.	.			trans	-113.1	117.9	-176.2	-176.8	0	0	0	0	108.8	G80 R81 T84 W162	V78-G80 PolarHBondContact O-N 3.02Å; V78-R81 HydrophobicContact CB-CB 4.25Å; V78-R81 HydrophobicContact CG1-CG 4.3Å; V78-R81 WeakPolarHBondContact O-CB 3.29Å; V78-R81 PolarHBondContact O-N 3.16Å; V78-T84 HydrophobicContact CB-CG2 4.23Å; V78-T84 HydrophobicContact CG2-CG2 4.3Å; V78-T84 PolarHBondContact N-OG1 3.01Å; V78-W162 VanDerWaalsContact O-CH2 3.28Å; V78-W162 WeakPolarHBondContact O-CH2 3.49Å
79	A	94.9	Very high	91.7	Very high	12 Å²	12	65 Å²	65	10%	0.099	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.6	178	0	0	0	0	0	111.3	F55 I58 R81 F159 W162	F55-A79 HydrophobicContact CB-CB 4.05Å; F55-A79 HydrophobicContact CD1-CB 3.59Å; F55-A79 HydrophobicContact CD2-CB 4.39Å; F55-A79 HydrophobicContact CE1-CB 4.14Å; F55-A79 HydrophobicContact CG-CB 3.74Å; I58-A79 HydrophobicContact CD1-CB 3.96Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-F159 HydrophobicContact CB-CD2 4.21Å; A79-W162 HydrophobicContact CB-CD2 3.98Å; A79-W162 HydrophobicContact CB-CE3 3.93Å; A79-W162 HydrophobicContact CB-CG 4.23Å; A79-W162 HydrophobicContact CB-CZ3 4.48Å
80	G	94.2	Very high	92.1	Very high	38 Å²	38	61.6 Å²	61.6	39%	0.392	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	1.1	-172.1	0	0	0	0	0	115.2	F55 V78	F55-G80 VanDerWaalsContact CD2-CA 3.42Å; V78-G80 PolarHBondContact O-N 3.02Å
81	R	95.4	Very high	92.6	Very high	145 Å²	145	63.5 Å²	63.5	55%	0.547	35%	0.346	S	S	.	.			trans	-125.4	80.5	176.7	-66.3	-169.2	-173.1	-175.5	0.5	111.4	V78 A79 E83 T84	V78-R81 HydrophobicContact CB-CB 4.25Å; V78-R81 HydrophobicContact CG1-CG 4.3Å; V78-R81 WeakPolarHBondContact O-CB 3.29Å; V78-R81 PolarHBondContact O-N 3.16Å; A79-R81 VanDerWaalsContact C-N 3.31Å; R81-E83 WeakPolarHBondContact CA-OE2 3.41Å; R81-E83 WeakPolarHBondContact CB-OE1 3.18Å; R81-E83 PolarHBondContact O-N 3.09Å; R81-E83 VanDerWaalsContact O-N 3.12Å; R81-T84 HydrophobicContact CB-CG2 3.95Å; R81-T84 PolarHBondContact O-N 3.31Å; R81-T84 PolarHBondContact O-OG1 2.87Å
82	P	94.9	Very high	93	Very high	52 Å²	52	60.9 Å²	60.9	34%	0.338	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.7	-175.8	-25	35.2	0	0	0	114.2	T84 I85 W162	P82-T84 PolarHBondContact O-N 3Å; P82-I85 VanDerWaalsContact O-CB 3.31Å; P82-I85 WeakPolarHBondContact O-CB 3.19Å; P82-I85 PolarHBondContact O-N 2.96Å; P82-I85 VanDerWaalsContact O-N 3.12Å; P82-W162 HydrophobicContact CG-CZ2 4.42Å
83	E	96.4	Very high	93.6	Very high	102 Å²	102	64.7 Å²	64.7	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-54.9	-37.2	174.7	63.1	-83.2	-164.9	0	0	112.4	R81 I85 T86 E87	R81-E83 WeakPolarHBondContact CA-OE2 3.41Å; R81-E83 WeakPolarHBondContact CB-OE1 3.18Å; R81-E83 PolarHBondContact O-N 3.09Å; R81-E83 VanDerWaalsContact O-N 3.12Å; E83-I85 PolarHBondContact O-N 3Å; E83-T86 PolarHBondContact O-N 3.47Å; E83-T86 VanDerWaalsContact O-N 3.1Å; E83-E87 WeakPolarHBondContact O-CG 3.26Å; E83-E87 PolarHBondContact O-N 2.67Å
84	T	96.7	Very high	94.4	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-24.5	-179	64.6	0	0	0	0	113.2	V78 R81 P82 C88	V78-T84 HydrophobicContact CB-CG2 4.23Å; V78-T84 HydrophobicContact CG2-CG2 4.3Å; V78-T84 PolarHBondContact N-OG1 3.01Å; R81-T84 HydrophobicContact CB-CG2 3.95Å; R81-T84 PolarHBondContact O-N 3.31Å; R81-T84 PolarHBondContact O-OG1 2.87Å; P82-T84 PolarHBondContact O-N 3Å; T84-C88 WeakPolarHBondContact O-CB 3.49Å; T84-C88 PolarHBondContact O-N 2.82Å; T84-C88 VanDerWaalsContact O-N 3.09Å; T84-C88 PolarHBondContact O-SG 3.22Å
85	I	95.6	Very high	95.2	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-44.2	174.7	-59.4	173.5	0	0	0	109.8	P82 E83 A89 F90 W162 L163 E166 L167	P82-I85 VanDerWaalsContact O-CB 3.31Å; P82-I85 WeakPolarHBondContact O-CB 3.19Å; P82-I85 PolarHBondContact O-N 2.96Å; P82-I85 VanDerWaalsContact O-N 3.12Å; E83-I85 PolarHBondContact O-N 3Å; I85-A89 PolarHBondContact O-N 3.04Å; I85-F90 HydrophobicContact CG2-CB 3.75Å; I85-F90 HydrophobicContact CG2-CD1 4.16Å; I85-F90 HydrophobicContact CG2-CG 4.22Å; I85-F90 PolarHBondContact O-N 2.89Å; I85-F90 VanDerWaalsContact O-N 3.14Å; I85-W162 HydrophobicContact CD1-CH2 3.61Å; I85-W162 HydrophobicContact CD1-CZ2 3.96Å; I85-W162 HydrophobicContact CD1-CZ3 4.17Å; I85-W162 HydrophobicContact CG1-CH2 3.66Å; I85-W162 HydrophobicContact CG1-CZ2 4.4Å; I85-W162 HydrophobicContact CG1-CZ3 4.24Å; I85-L163 HydrophobicContact CD1-CD1 3.78Å; I85-L163 HydrophobicContact CG1-CD1 4.11Å; I85-E166 HydrophobicContact CD1-CB 4.25Å; I85-L167 HydrophobicContact CD1-CD1 4.31Å; I85-L167 HydrophobicContact CD1-CD2 4.36Å; I85-L167 HydrophobicContact CD1-CG 4.23Å; I85-L167 HydrophobicContact CG2-CD1 3.84Å; I85-L167 HydrophobicContact CG2-CD2 4.24Å; I85-L167 HydrophobicContact CG2-CG 4.49Å
86	T	94.3	Very high	95.5	Very high	115 Å²	115	57.9 Å²	57.9	71%	0.706	31%	0.314	S	S	*	.	H	α-helix	trans	-74.2	-40.9	-177.9	-52	0	0	0	0	110.6	E83 C88 A89	E83-T86 PolarHBondContact O-N 3.47Å; E83-T86 VanDerWaalsContact O-N 3.1Å; T86-C88 VanDerWaalsContact C-N 3.29Å; T86-C88 PolarHBondContact O-N 3.49Å; T86-A89 PolarHBondContact O-N 2.91Å
87	E	95.1	Very high	95.6	Very high	143 Å²	143	54.1 Å²	54.1	67%	0.668	30%	0.3	S	S	*	.	H	α-helix	trans	-59.6	-38.6	176	-70.7	173.5	179.6	0	0	112.4	E83 A89	E83-E87 WeakPolarHBondContact O-CG 3.26Å; E83-E87 PolarHBondContact O-N 2.67Å; E87-A89 PolarHBondContact O-N 2.89Å
88	C	94.8	Very high	95.7	Very high	16 Å²	16	54.1 Å²	54.1	11%	0.108	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.3	175.1	-61.8	0	0	0	0	114.3	L64 C75 M77 T84 T86 F90	L64-C88 HydrophobicContact CB-CB 4.19Å; L64-C88 HydrophobicContact CD2-CB 3.84Å; L64-C88 VanDerWaalsContact CD2-O 3.3Å; L64-C88 WeakPolarHBondContact CD2-O 3.36Å; C75-C88 HydrophobicContact CB-CB 3.84Å; C75-C88 WeakPolarHBondContact CB-SG 3.34Å; C75-C88 WeakPolarHBondContact SG-CA 3.27Å; C75-C88 WeakPolarHBondContact SG-CB 3.11Å; C75-C88 CovalentContact SG-SG 2.03Å; C75-C88 PolarHBondContact SG-SG 3.39Å; M77-C88 HydrophobicContact CG-CB 4.16Å; T84-C88 WeakPolarHBondContact O-CB 3.49Å; T84-C88 PolarHBondContact O-N 2.82Å; T84-C88 VanDerWaalsContact O-N 3.09Å; T84-C88 PolarHBondContact O-SG 3.22Å; T86-C88 VanDerWaalsContact C-N 3.29Å; T86-C88 PolarHBondContact O-N 3.49Å; C88-F90 VanDerWaalsContact C-N 3.28Å; C88-F90 PolarHBondContact O-N 2.81Å
89	A	94.4	Very high	95.8	Very high	80 Å²	80	51.3 Å²	51.3	66%	0.661	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	39.2	-177.3	0	0	0	0	0	113.6	I85 T86 E87 N91	I85-A89 PolarHBondContact O-N 3.04Å; T86-A89 PolarHBondContact O-N 2.91Å; E87-A89 PolarHBondContact O-N 2.89Å; A89-N91 PolarHBondContact O-N 2.95Å
90	F	96.1	Very high	96	Very high	15 Å²	15	50.7 Å²	50.7	7%	0.066	28%	0.278	C	S	.	.			trans	-62.1	133.2	175.4	-179.4	-87.9	0	0	0	111.1	L64 M77 I85 C88 P92 T96 N128 I130 L163 L167 L169	L64-F90 HydrophobicContact CD1-CD2 4.47Å; L64-F90 HydrophobicContact CD2-CB 3.99Å; L64-F90 HydrophobicContact CD2-CD2 4.21Å; M77-F90 HydrophobicContact CE-CD2 4.17Å; M77-F90 HydrophobicContact SD-CB 4.18Å; M77-F90 HydrophobicContact SD-CD2 3.92Å; M77-F90 HydrophobicContact SD-CG 4.29Å; I85-F90 HydrophobicContact CG2-CB 3.75Å; I85-F90 HydrophobicContact CG2-CD1 4.16Å; I85-F90 HydrophobicContact CG2-CG 4.22Å; I85-F90 PolarHBondContact O-N 2.89Å; I85-F90 VanDerWaalsContact O-N 3.14Å; C88-F90 VanDerWaalsContact C-N 3.28Å; C88-F90 PolarHBondContact O-N 2.81Å; F90-P92 HydrophobicContact CE1-CB 4.5Å; F90-P92 WeakPolarHBondContact O-CD 3.42Å; F90-T96 HydrophobicContact CE2-CG2 4.06Å; F90-T96 HydrophobicContact CZ-CG2 4.38Å; F90-T96 WeakPolarHBondContact CZ-OG1 3.3Å; F90-N128 HydrophobicContact CD2-CB 3.84Å; F90-N128 HydrophobicContact CE2-CB 3.54Å; F90-N128 VanDerWaalsContact CE2-CG 3.42Å; F90-N128 WeakPolarHBondContact CE2-ND2 3.43Å; F90-N128 HydrophobicContact CZ-CB 4.35Å; F90-N128 WeakPolarHBondContact CZ-ND2 3.4Å; F90-I130 HydrophobicContact CE2-CD1 4.26Å; F90-L163 HydrophobicContact CE2-CD2 4Å; F90-L163 HydrophobicContact CZ-CD2 3.88Å; F90-L167 HydrophobicContact CD1-CD1 3.53Å; F90-L167 HydrophobicContact CE1-CD1 3.48Å; F90-L167 VanDerWaalsContact CE1-CD1 3.48Å; F90-L169 HydrophobicContact CE1-CD1 3.97Å; F90-L169 HydrophobicContact CE1-CD2 4.29Å; F90-L169 HydrophobicContact CZ-CD1 3.9Å
91	N	95.3	Very high	96.2	Very high	59 Å²	59	49.3 Å²	49.3	32%	0.316	26%	0.261	S	S	.	.			trans	-99.9	108.6	-179.9	-173.2	-19.4	0	0	0	111.7	A89 E93 T94 N128	A89-N91 PolarHBondContact O-N 2.95Å; N91-E93 PolarHBondContact O-N 3.39Å; N91-E93 WeakPolarHBondContact OD1-CB 3.12Å; N91-E93 PolarHBondContact OD1-N 3.26Å; N91-T94 HydrophobicContact CB-CG2 4.41Å; N91-T94 WeakPolarHBondContact ND2-CG2 3.38Å; N91-T94 PolarHBondContact O-OG1 3.16Å; N91-N128 PolarHBondContact N-OD1 3.45Å; N91-N128 PolarHBondContact O-ND2 3.46Å
92	P	94.2	Very high	96.3	Very high	51 Å²	51	42.4 Å²	42.4	33%	0.331	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.9	-178.1	29.1	-35.3	0	0	0	114.2	F90 T94 L167 L169 R173	F90-P92 HydrophobicContact CE1-CB 4.5Å; F90-P92 WeakPolarHBondContact O-CD 3.42Å; P92-T94 VanDerWaalsContact C-N 3.34Å; P92-L167 HydrophobicContact CB-CB 4.48Å; P92-L167 HydrophobicContact CB-CD1 4.38Å; P92-L169 HydrophobicContact CB-CD2 3.64Å; P92-L169 WeakPolarHBondContact O-CD2 3.4Å; P92-R173 PolarHBondContact O-NH1 3.18Å
93	E	94	Very high	96.3	Very high	153 Å²	153	43.8 Å²	43.8	72%	0.715	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.4	-175.2	-58.9	-168.4	160.9	0	0	113.5	N91 R173	N91-E93 PolarHBondContact O-N 3.39Å; N91-E93 WeakPolarHBondContact OD1-CB 3.12Å; N91-E93 PolarHBondContact OD1-N 3.26Å; E93-R173 VanDerWaalsContact O-CZ 3.25Å; E93-R173 PolarHBondContact O-NH1 2.67Å
94	T	94.6	Very high	96	Very high	21 Å²	21	39 Å²	39	13%	0.129	21%	0.212	C	C	.	.	S	Bend	trans	-114.6	172	-167.5	66.1	0	0	0	0	113.1	N91 P92 T126 N128	N91-T94 HydrophobicContact CB-CG2 4.41Å; N91-T94 WeakPolarHBondContact ND2-CG2 3.38Å; N91-T94 PolarHBondContact O-OG1 3.16Å; P92-T94 VanDerWaalsContact C-N 3.34Å; T94-T126 WeakPolarHBondContact CB-O 3.24Å; T94-T126 VanDerWaalsContact CG2-O 3.23Å; T94-T126 WeakPolarHBondContact CG2-O 3.48Å; T94-T126 PolarHBondContact OG1-O 2.91Å; T94-N128 PolarHBondContact OG1-ND2 2.75Å
95	Q	96.2	Very high	95.3	Very high	50 Å²	50	42 Å²	42	23%	0.234	23%	0.229	C	C	.	.			trans	-68.2	139.3	178.8	-174.9	169.3	3.6	0	0	110.4	F97 A127 N128 R173 Y339	Q95-F97 HydrophobicContact CG-CE1 4.17Å; Q95-F97 HydrophobicContact CG-CE2 4.17Å; Q95-F97 HydrophobicContact CG-CZ 3.91Å; Q95-A127 CarbonylContact O-C 3.55Å; Q95-A127 VanDerWaalsContact O-CA 3.23Å; Q95-A127 WeakPolarHBondContact O-CA 3.45Å; Q95-A127 WeakPolarHBondContact O-CB 3.39Å; Q95-N128 PolarHBondContact O-N 3.47Å; Q95-R173 WeakPolarHBondContact CG-O 3.29Å; Q95-Y339 PolarHBondContact OE1-OH 2.85Å
96	T	98.1	Very high	95	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.5	175.8	-59.6	0	0	0	0	110.2	F90 I98 N128 I130 R173 H175	F90-T96 HydrophobicContact CE2-CG2 4.06Å; F90-T96 HydrophobicContact CZ-CG2 4.38Å; F90-T96 WeakPolarHBondContact CZ-OG1 3.3Å; T96-I98 HydrophobicContact CG2-CG1 4.17Å; T96-N128 CarbonylContact C-O 3.5Å; T96-N128 WeakPolarHBondContact CA-O 3.5Å; T96-N128 HydrophobicContact CG2-CB 4.17Å; T96-N128 PolarHBondContact OG1-ND2 2.85Å; T96-I130 HydrophobicContact CG2-CD1 3.71Å; T96-I130 HydrophobicContact CG2-CG1 4.28Å; T96-R173 PolarHBondContact N-O 2.88Å; T96-H175 PolarHBondContact O-N 2.9Å
97	F	98.8	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.5	171.5	-62.3	-68.5	0	0	0	109.4	Q95 L120 V124 A127 N128 V129 I130 H175 L177 Y339	Q95-F97 HydrophobicContact CG-CE1 4.17Å; Q95-F97 HydrophobicContact CG-CE2 4.17Å; Q95-F97 HydrophobicContact CG-CZ 3.91Å; F97-L120 HydrophobicContact CB-CD1 3.99Å; F97-L120 HydrophobicContact CD1-CD2 3.99Å; F97-L120 HydrophobicContact CD2-CB 4.34Å; F97-L120 HydrophobicContact CD2-CD1 4.38Å; F97-L120 HydrophobicContact CD2-CD2 3.92Å; F97-L120 HydrophobicContact CD2-CG 4.45Å; F97-L120 HydrophobicContact CE1-CD2 4.04Å; F97-L120 HydrophobicContact CE2-CD2 3.96Å; F97-L120 HydrophobicContact CG-CD1 4.14Å; F97-L120 HydrophobicContact CG-CD2 3.92Å; F97-L120 HydrophobicContact CZ-CD2 4.02Å; F97-V124 HydrophobicContact CE2-CB 4.26Å; F97-V124 HydrophobicContact CE2-CG2 4.16Å; F97-V124 HydrophobicContact CZ-CG2 4.21Å; F97-A127 HydrophobicContact CD2-CB 3.72Å; F97-A127 HydrophobicContact CE2-CB 3.6Å; F97-N128 PolarHBondContact N-O 2.67Å; F97-V129 HydrophobicContact CB-CG2 4.47Å; F97-V129 HydrophobicContact CD2-CG2 4.25Å; F97-I130 PolarHBondContact O-N 2.86Å; F97-H175 WeakPolarHBondContact CA-O 3.22Å; F97-H175 HydrophobicContact CD1-CB 3.84Å; F97-H175 AromaticContact CD1-ND1 3.9Å; F97-H175 HydrophobicContact CE1-CB 4.08Å; F97-H175 AromaticContact CE1-ND1 3.57Å; F97-L177 HydrophobicContact CB-CD1 3.86Å; F97-L177 HydrophobicContact CD1-CD1 3.81Å; F97-L177 HydrophobicContact CG-CD1 4.24Å; F97-Y339 AromaticContact CE1-CE2 3.76Å; F97-Y339 HydrophobicContact CE1-CE2 3.76Å; F97-Y339 AromaticContact CZ-CE2 3.69Å; F97-Y339 HydrophobicContact CZ-CE2 3.69Å
98	I	98.8	Very high	94.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.9	174.4	-53.9	-175.5	0	0	0	107.7	T96 I100 I130 V132 V160 I174 H175 L176 L177	T96-I98 HydrophobicContact CG2-CG1 4.17Å; I98-I100 HydrophobicContact CG2-CG1 4.22Å; I98-I130 CarbonylContact C-O 3.54Å; I98-I130 WeakPolarHBondContact CA-O 3.38Å; I98-I130 HydrophobicContact CD1-CD1 4.49Å; I98-I130 HydrophobicContact CG1-CB 4.29Å; I98-I130 HydrophobicContact CG1-CD1 4.28Å; I98-V132 HydrophobicContact CG2-CG2 3.43Å; I98-V132 VanDerWaalsContact CG2-CG2 3.43Å; I98-V160 HydrophobicContact CD1-CG2 3.51Å; I98-I174 HydrophobicContact CD1-CG2 4.4Å; I98-H175 PolarHBondContact N-O 3Å; I98-L176 HydrophobicContact CB-CD2 3.56Å; I98-L176 HydrophobicContact CD1-CD2 3.71Å; I98-L176 HydrophobicContact CG1-CD2 3.93Å; I98-L176 HydrophobicContact CG2-CD2 4.14Å; I98-L176 WeakPolarHBondContact O-CA 3.44Å; I98-L177 PolarHBondContact O-N 3.1Å
99	V	98.9	Very high	94.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.5	-178.3	179.3	0	0	0	0	109.1	W112 L116 L120 V129 I130 V131 V132 L177	V99-W112 HydrophobicContact CG1-CH2 4.05Å; V99-W112 HydrophobicContact CG1-CZ3 3.74Å; V99-L116 HydrophobicContact CG1-CD2 3.94Å; V99-L116 HydrophobicContact CG2-CD2 4.1Å; V99-L120 HydrophobicContact CG2-CD1 3.99Å; V99-V129 HydrophobicContact CG2-CG1 4.16Å; V99-I130 PolarHBondContact N-O 3.27Å; V99-V131 HydrophobicContact CB-CG2 4.34Å; V99-V132 PolarHBondContact O-N 2.94Å; V99-L177 WeakPolarHBondContact CA-O 3.5Å; V99-L177 HydrophobicContact CG2-CD1 4.28Å
100	I	98.9	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.6	-175.7	-49.2	172.4	0	0	0	108.7	I98 V132 V156 L177 Y179 V185 A186	I98-I100 HydrophobicContact CG2-CG1 4.22Å; I100-V132 HydrophobicContact CG1-CB 4.3Å; I100-V132 HydrophobicContact CG1-CG2 3.94Å; I100-V156 HydrophobicContact CD1-CG1 4.44Å; I100-L177 PolarHBondContact N-O 3.46Å; I100-Y179 PolarHBondContact O-N 2.78Å; I100-V185 HydrophobicContact CD1-CG1 4.03Å; I100-V185 HydrophobicContact CG2-CB 3.96Å; I100-V185 HydrophobicContact CG2-CG1 3.73Å; I100-A186 HydrophobicContact CD1-CB 3.81Å
101	H	98.5	Very high	94.3	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.037	23%	0.23	C	C	.	.			trans	-73.4	170.3	179.8	70.7	84.4	0	0	0	112.7	F109 W112 V132 W134 G182	H101-F109 AromaticContact CD2-CE1 3.47Å; H101-F109 VanDerWaalsContact CD2-CE1 3.47Å; H101-F109 WeakPolarHBondContact CD2-CE1 3.42Å; H101-F109 AromaticContact NE2-CE1 3.96Å; H101-W112 HydrophobicContact CB-CH2 4.05Å; H101-W112 HydrophobicContact CB-CZ2 3.82Å; H101-V132 PolarHBondContact CD2-O 3.33Å; H101-V132 PolarHBondContact NE2-O 2.8Å; H101-W134 AromaticContact CD2-CD1 3.62Å; H101-W134 AromaticContact CD2-NE1 3.68Å; H101-W134 AromaticContact CE1-CD1 3.42Å; H101-W134 VanDerWaalsContact CE1-CD1 3.42Å; H101-W134 AromaticContact CE1-CE2 3.73Å; H101-W134 AromaticContact CE1-CG 3.83Å; H101-W134 AromaticContact CE1-NE1 3.34Å; H101-W134 PolarHBondContact CE1-NE1 2.8Å; H101-W134 VanDerWaalsContact CE1-NE1 3.34Å; H101-W134 AromaticContact CG-NE1 3.76Å; H101-W134 AromaticContact ND1-CE2 3.96Å; H101-W134 AromaticContact ND1-NE1 3.53Å; H101-W134 AromaticContact NE2-CD1 3.12Å; H101-W134 AromaticContact NE2-CG 3.74Å; H101-W134 PolarHBondContact NE2-N 2.97Å; H101-W134 AromaticContact NE2-NE1 3.45Å; H101-W134 PolarHBondContact NE2-NE1 3.09Å; H101-W134 VanDerWaalsContact O-CZ2 3.25Å; H101-W134 WeakPolarHBondContact O-CZ2 3.31Å; H101-W134 PolarHBondContact O-NE1 2.91Å; H101-G182 VanDerWaalsContact O-CA 3.29Å; H101-G182 WeakPolarHBondContact O-CA 3.3Å; H101-G182 PolarHBondContact O-N 3.42Å
102	G	97	Very high	94.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	22%	0.215	C	C	.	.			trans	-99.8	-159.1	-179.9	0	0	0	0	0	114.3	Y179	G102-Y179 VanDerWaalsContact CA-O 3.31Å; G102-Y179 WeakPolarHBondContact CA-O 3.13Å; G102-Y179 PolarHBondContact N-O 3.26Å
103	W	95.4	Very high	94.5	Very high	80 Å²	80	37.3 Å²	37.3	30%	0.303	20%	0.2	S	C	.	.			trans	-64.1	141.1	172.9	-175.8	69.2	0	0	0	111.4	V105 A138 Q140 Y142 L181	W103-V105 HydrophobicContact CE3-CG2 4.29Å; W103-V105 HydrophobicContact CH2-CG2 3.17Å; W103-V105 HydrophobicContact CZ2-CG2 3.81Å; W103-V105 HydrophobicContact CZ3-CG2 3.44Å; W103-V105 VanDerWaalsContact CZ3-CG2 3.44Å; W103-A138 PolarHBondContact NE1-O 3.13Å; W103-Q140 PolarHBondContact NE1-O 2.85Å; W103-Y142 HydrophobicContact CD2-CD2 4.46Å; W103-Y142 HydrophobicContact CG-CD2 4.31Å; W103-L181 HydrophobicContact CB-CD1 3.73Å; W103-L181 HydrophobicContact CB-CG 4.21Å; W103-L181 HydrophobicContact CG-CD1 4.4Å
104	T	89.4	Confident	94.6	Very high	3 Å²	3	31 Å²	31	2%	0.018	17%	0.172	C	C	.	.			trans	-139	136.7	179.2	177.1	0	0	0	0	111.1	T106 G107 M108 L135 A138 N139	T104-T106 PolarHBondContact OG1-N 3.39Å; T104-T106 PolarHBondContact OG1-OG1 3.01Å; T104-G107 PolarHBondContact OG1-N 3.01Å; T104-M108 PolarHBondContact OG1-O 3.05Å; T104-L135 HydrophobicContact CG2-CD2 3.82Å; T104-A138 HydrophobicContact CG2-CB 4.05Å; T104-A138 PolarHBondContact N-O 3.32Å; T104-N139 HydrophobicContact CG2-CB 4.42Å; T104-N139 VanDerWaalsContact O-CA 3.31Å; T104-N139 WeakPolarHBondContact O-CA 3.06Å; T104-N139 PolarHBondContact O-ND2 3.08Å
105	V	83.8	Confident	94.8	Very high	72 Å²	72	34.9 Å²	34.9	44%	0.436	19%	0.187	S	C	.	.	S	Bend	trans	-82.4	-28.5	176.2	179.9	0	0	0	0	111.7	W103 N139	W103-V105 HydrophobicContact CE3-CG2 4.29Å; W103-V105 HydrophobicContact CH2-CG2 3.17Å; W103-V105 HydrophobicContact CZ2-CG2 3.81Å; W103-V105 HydrophobicContact CZ3-CG2 3.44Å; W103-V105 VanDerWaalsContact CZ3-CG2 3.44Å; V105-N139 PolarHBondContact O-ND2 3.47Å
106	T	87.6	Confident	94.9	Very high	90 Å²	90	32.5 Å²	32.5	55%	0.552	18%	0.176	S	C	*	.	S	Bend	trans	-89.9	-16.3	-174.4	58.9	0	0	0	0	113.3	T104 M108	T104-T106 PolarHBondContact OG1-N 3.39Å; T104-T106 PolarHBondContact OG1-OG1 3.01Å; T106-M108 PolarHBondContact O-N 3.07Å; T106-M108 PolarHBondContact OG1-N 2.94Å
107	G	89.9	Confident	94.9	Very high	24 Å²	24	32.3 Å²	32.3	25%	0.247	18%	0.175	C	C	.	.	S	Bend	trans	70.4	17.1	-172.9	0	0	0	0	0	113	T104 N139	T104-G107 PolarHBondContact OG1-N 3.01Å; G107-N139 PolarHBondContact N-ND2 2.66Å
108	M	92.4	Very high	94.8	Very high	123 Å²	123	34.6 Å²	34.6	61%	0.606	19%	0.19	S	C	*	.	S	Bend	trans	-119.2	157.9	176	-58.9	-173.5	-68.9	0	0	110.5	T104 T106	T104-M108 PolarHBondContact OG1-O 3.05Å; T106-M108 PolarHBondContact O-N 3.07Å; T106-M108 PolarHBondContact OG1-N 2.94Å
109	F	94.1	Very high	94.8	Very high	50 Å²	50	34.7 Å²	34.7	22%	0.219	19%	0.191	C	C	.	.			trans	-61.5	139.8	171	-69.1	-62.2	0	0	0	111.3	D73 H101 V113 V131 D133 L135	D73-F109 VanDerWaalsContact OD2-CE2 3.25Å; D73-F109 WeakPolarHBondContact OD2-CE2 3.2Å; H101-F109 AromaticContact CD2-CE1 3.47Å; H101-F109 VanDerWaalsContact CD2-CE1 3.47Å; H101-F109 WeakPolarHBondContact CD2-CE1 3.42Å; H101-F109 AromaticContact NE2-CE1 3.96Å; F109-V113 HydrophobicContact CB-CB 4.44Å; F109-V113 HydrophobicContact CB-CG2 4.19Å; F109-V113 HydrophobicContact CD1-CG1 4.45Å; F109-V113 HydrophobicContact CD1-CG2 4.05Å; F109-V113 HydrophobicContact CG-CG2 4.47Å; F109-V131 HydrophobicContact CE1-CG1 3.74Å; F109-V131 HydrophobicContact CZ-CG1 3.83Å; F109-D133 HydrophobicContact CZ-CB 3.93Å; F109-L135 HydrophobicContact CD1-CD1 4.38Å; F109-L135 HydrophobicContact CD1-CD2 4.23Å; F109-L135 HydrophobicContact CD2-CD1 4.08Å; F109-L135 HydrophobicContact CE1-CD1 4.24Å; F109-L135 HydrophobicContact CE1-CD2 4.42Å; F109-L135 HydrophobicContact CE1-CG 4.31Å; F109-L135 HydrophobicContact CE2-CD1 3.91Å; F109-L135 HydrophobicContact CG-CD1 4.31Å; F109-L135 HydrophobicContact CZ-CD1 4.01Å; F109-L135 HydrophobicContact CZ-CG 4.43Å
110	E	91.4	Very high	94.8	Very high	28 Å²	28	34.6 Å²	34.6	13%	0.131	19%	0.191	C	C	.	.			trans	-79.4	154.6	175.3	-67.1	177.5	142.9	0	0	110.7	W112 V113 Y179 K289	E110-W112 VanDerWaalsContact CB-CD1 3.41Å; E110-W112 HydrophobicContact CB-CG 4.35Å; E110-W112 PolarHBondContact O-N 2.79Å; E110-W112 PolarHBondContact OE2-NE1 3.42Å; E110-V113 PolarHBondContact O-N 2.65Å; E110-Y179 WeakPolarHBondContact OE2-CE1 3.44Å; E110-K289 IonicContact OE1-NZ 3.84Å; E110-K289 PolarHBondContact OE1-NZ 2.93Å
111	S	92.9	Very high	94.8	Very high	72 Å²	72	35.9 Å²	35.9	50%	0.503	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.7	-173.9	77.9	0	0	0	0	115.3	K115	S111-K115 VanDerWaalsContact O-CD 3.29Å; S111-K115 WeakPolarHBondContact O-CD 3.48Å; S111-K115 VanDerWaalsContact O-CE 3.31Å; S111-K115 WeakPolarHBondContact O-CE 3.46Å; S111-K115 WeakPolarHBondContact O-CG 3.31Å; S111-K115 PolarHBondContact OG-NZ 3.09Å
112	W	95.6	Very high	94.7	Very high	2 Å²	2	42 Å²	42	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-80.1	-25	177.5	67.1	-106.5	0	0	0	112.9	V99 H101 E110 K115 L116 Y179 I296	V99-W112 HydrophobicContact CG1-CH2 4.05Å; V99-W112 HydrophobicContact CG1-CZ3 3.74Å; H101-W112 HydrophobicContact CB-CH2 4.05Å; H101-W112 HydrophobicContact CB-CZ2 3.82Å; E110-W112 VanDerWaalsContact CB-CD1 3.41Å; E110-W112 HydrophobicContact CB-CG 4.35Å; E110-W112 PolarHBondContact O-N 2.79Å; E110-W112 PolarHBondContact OE2-NE1 3.42Å; W112-K115 PolarHBondContact O-N 2.98Å; W112-L116 HydrophobicContact CE3-CB 4.31Å; W112-L116 HydrophobicContact CE3-CD2 4.33Å; W112-L116 HydrophobicContact CZ3-CD2 3.98Å; W112-L116 PolarHBondContact O-N 2.54Å; W112-Y179 AromaticContact CE2-CD1 3.83Å; W112-Y179 HydrophobicContact CH2-CD1 4.49Å; W112-Y179 AromaticContact CZ2-CD1 3.6Å; W112-Y179 HydrophobicContact CZ2-CD1 3.6Å; W112-Y179 HydrophobicContact CZ2-CE1 4.41Å; W112-Y179 HydrophobicContact CZ2-CG 4.15Å; W112-Y179 AromaticContact NE1-CD1 3.8Å; W112-Y179 AromaticContact NE1-CE1 3.75Å; W112-I296 HydrophobicContact CB-CD1 4.22Å; W112-I296 HydrophobicContact CB-CG2 4.06Å; W112-I296 HydrophobicContact CD2-CD1 3.4Å; W112-I296 VanDerWaalsContact CD2-CD1 3.4Å; W112-I296 HydrophobicContact CD2-CG1 4.3Å; W112-I296 HydrophobicContact CD2-CG2 4.22Å; W112-I296 HydrophobicContact CE3-CD1 3.9Å; W112-I296 HydrophobicContact CE3-CG1 4.32Å; W112-I296 HydrophobicContact CE3-CG2 3.87Å; W112-I296 HydrophobicContact CG-CD1 3.53Å; W112-I296 HydrophobicContact CG-CG2 4.32Å; W112-I296 HydrophobicContact CZ2-CD1 4.27Å
113	V	97.5	Very high	94.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-57.5	-177.7	175.5	0	0	0	0	110.7	F109 E110 K115 L116 V117 V131	F109-V113 HydrophobicContact CB-CB 4.44Å; F109-V113 HydrophobicContact CB-CG2 4.19Å; F109-V113 HydrophobicContact CD1-CG1 4.45Å; F109-V113 HydrophobicContact CD1-CG2 4.05Å; F109-V113 HydrophobicContact CG-CG2 4.47Å; E110-V113 PolarHBondContact O-N 2.65Å; V113-K115 VanDerWaalsContact C-N 3.32Å; V113-K115 PolarHBondContact O-N 2.92Å; V113-L116 PolarHBondContact O-N 3Å; V113-V117 WeakPolarHBondContact O-CG2 2.92Å; V113-V117 PolarHBondContact O-N 3.36Å; V113-V131 HydrophobicContact CG1-CG1 4.03Å; V113-V131 HydrophobicContact CG1-CG2 4.09Å
114	P	97.1	Very high	94.8	Very high	21 Å²	21	43 Å²	43	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-37.3	177.9	22	-33.6	0	0	0	113.4	P70 D71 L116 V117 S118	P70-P114 HydrophobicContact CB-CB 4.34Å; D71-P114 HydrophobicContact CB-CB 4.31Å; D71-P114 VanDerWaalsContact CG-CB 3.47Å; D71-P114 WeakPolarHBondContact OD1-CB 3.43Å; P114-L116 VanDerWaalsContact C-N 3.29Å; P114-L116 PolarHBondContact O-N 3.15Å; P114-V117 PolarHBondContact O-N 3.16Å; P114-S118 PolarHBondContact O-N 3.26Å; P114-S118 PolarHBondContact O-OG 3.27Å; P114-S118 VanDerWaalsContact O-OG 3.11Å
115	K	97.8	Very high	95.2	Very high	101 Å²	101	47.6 Å²	47.6	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-40	177	-64.3	171.6	-173	158.3	0	111.9	S111 W112 V113 A119 I300	S111-K115 VanDerWaalsContact O-CD 3.29Å; S111-K115 WeakPolarHBondContact O-CD 3.48Å; S111-K115 VanDerWaalsContact O-CE 3.31Å; S111-K115 WeakPolarHBondContact O-CE 3.46Å; S111-K115 WeakPolarHBondContact O-CG 3.31Å; S111-K115 PolarHBondContact OG-NZ 3.09Å; W112-K115 PolarHBondContact O-N 2.98Å; V113-K115 VanDerWaalsContact C-N 3.32Å; V113-K115 PolarHBondContact O-N 2.92Å; K115-A119 WeakPolarHBondContact O-CB 3.38Å; K115-A119 PolarHBondContact O-N 2.83Å; K115-A119 VanDerWaalsContact O-N 3.08Å; K115-I300 HydrophobicContact CB-CD1 3.94Å
116	L	98.6	Very high	95.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-70	-42.6	176.2	-179.8	60.6	0	0	0	111.2	V99 W112 V113 P114 A119 L120 F299 I300 L303	V99-L116 HydrophobicContact CG1-CD2 3.94Å; V99-L116 HydrophobicContact CG2-CD2 4.1Å; W112-L116 HydrophobicContact CE3-CB 4.31Å; W112-L116 HydrophobicContact CE3-CD2 4.33Å; W112-L116 HydrophobicContact CZ3-CD2 3.98Å; W112-L116 PolarHBondContact O-N 2.54Å; V113-L116 PolarHBondContact O-N 3Å; P114-L116 VanDerWaalsContact C-N 3.29Å; P114-L116 PolarHBondContact O-N 3.15Å; L116-A119 PolarHBondContact O-N 3.05Å; L116-L120 HydrophobicContact CD1-CD1 4.36Å; L116-L120 HydrophobicContact CD1-CG 4.26Å; L116-L120 HydrophobicContact CG-CD1 4.09Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 2.03Å; L116-F299 HydrophobicContact CD1-CD1 3.94Å; L116-F299 HydrophobicContact CD1-CE1 4.42Å; L116-I300 HydrophobicContact CB-CD1 4.2Å; L116-I300 HydrophobicContact CB-CG1 4.33Å; L116-I300 HydrophobicContact CD1-CG1 3.86Å; L116-L303 HydrophobicContact CD1-CD1 3.98Å
117	V	98.3	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-51.4	175.9	173	0	0	0	0	110.6	R65 P70 V113 P114 A119 L120 Y121 V129 V131	R65-V117 HydrophobicContact CB-CG1 3.74Å; R65-V117 HydrophobicContact CG-CG1 4.34Å; R65-V117 HydrophobicContact CG-CG2 4.3Å; P70-V117 HydrophobicContact CB-CB 4.16Å; P70-V117 HydrophobicContact CB-CG1 3.84Å; V113-V117 WeakPolarHBondContact O-CG2 2.92Å; V113-V117 PolarHBondContact O-N 3.36Å; P114-V117 PolarHBondContact O-N 3.16Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-A119 PolarHBondContact O-N 2.94Å; V117-L120 PolarHBondContact O-N 3.3Å; V117-Y121 HydrophobicContact CG1-CD2 3.86Å; V117-Y121 HydrophobicContact CG1-CE2 3.83Å; V117-Y121 WeakPolarHBondContact O-CD2 3.48Å; V117-Y121 PolarHBondContact O-N 3.41Å; V117-V129 HydrophobicContact CB-CG1 4.33Å; V117-V129 HydrophobicContact CG1-CB 4.45Å; V117-V129 HydrophobicContact CG1-CG1 4.13Å; V117-V129 HydrophobicContact CG2-CG1 3.88Å; V117-V131 HydrophobicContact CG2-CG2 3.84Å
118	S	98	Very high	96.6	Very high	47 Å²	47	43.6 Å²	43.6	33%	0.329	23%	0.231	S	C	.	.	H	α-helix	trans	-57.2	-45.3	176.1	-58.4	0	0	0	0	112	P70 P114 L120 Y121 E122	P70-S118 WeakPolarHBondContact CB-OG 3.23Å; P70-S118 WeakPolarHBondContact CG-OG 3.41Å; P114-S118 PolarHBondContact O-N 3.26Å; P114-S118 PolarHBondContact O-OG 3.27Å; P114-S118 VanDerWaalsContact O-OG 3.11Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-L120 PolarHBondContact O-N 3.47Å; S118-Y121 PolarHBondContact O-N 2.8Å; S118-E122 WeakPolarHBondContact O-CB 3.23Å; S118-E122 PolarHBondContact O-N 2.91Å
119	A	98.4	Very high	96.9	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-32.3	-179.9	0	0	0	0	0	113.2	K115 L116 V117 R123 I300 L303 L304	K115-A119 WeakPolarHBondContact O-CB 3.38Å; K115-A119 PolarHBondContact O-N 2.83Å; K115-A119 VanDerWaalsContact O-N 3.08Å; L116-A119 PolarHBondContact O-N 3.05Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-A119 PolarHBondContact O-N 2.94Å; A119-R123 WeakPolarHBondContact O-CB 3.29Å; A119-R123 PolarHBondContact O-N 2.87Å; A119-I300 HydrophobicContact CB-CB 4.44Å; A119-I300 HydrophobicContact CB-CG1 4.28Å; A119-I300 HydrophobicContact CB-CG2 3.86Å; A119-L303 HydrophobicContact CB-CB 4.36Å; A119-L303 HydrophobicContact CB-CD1 3.87Å; A119-L304 HydrophobicContact CB-CD1 4.49Å; A119-L304 HydrophobicContact CB-CD2 3.9Å; A119-L304 HydrophobicContact CB-CG 4.17Å
120	L	98.5	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-44.1	173.9	-74.2	168.1	0	0	0	111.1	F97 V99 L116 V117 S118 R123 V124 V129 L177 L303	F97-L120 HydrophobicContact CB-CD1 3.99Å; F97-L120 HydrophobicContact CD1-CD2 3.99Å; F97-L120 HydrophobicContact CD2-CB 4.34Å; F97-L120 HydrophobicContact CD2-CD1 4.38Å; F97-L120 HydrophobicContact CD2-CD2 3.92Å; F97-L120 HydrophobicContact CD2-CG 4.45Å; F97-L120 HydrophobicContact CE1-CD2 4.04Å; F97-L120 HydrophobicContact CE2-CD2 3.96Å; F97-L120 HydrophobicContact CG-CD1 4.14Å; F97-L120 HydrophobicContact CG-CD2 3.92Å; F97-L120 HydrophobicContact CZ-CD2 4.02Å; V99-L120 HydrophobicContact CG2-CD1 3.99Å; L116-L120 HydrophobicContact CD1-CD1 4.36Å; L116-L120 HydrophobicContact CD1-CG 4.26Å; L116-L120 HydrophobicContact CG-CD1 4.09Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 2.03Å; V117-L120 PolarHBondContact O-N 3.3Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-L120 PolarHBondContact O-N 3.47Å; L120-R123 PolarHBondContact O-N 2.93Å; L120-V124 PolarHBondContact O-N 2.87Å; L120-V129 HydrophobicContact CB-CG2 3.95Å; L120-V129 HydrophobicContact CD1-CG1 3.91Å; L120-V129 HydrophobicContact CD1-CG2 4.3Å; L120-L177 HydrophobicContact CD1-CD1 4.4Å; L120-L303 HydrophobicContact CD2-CD1 3.8Å; L120-L303 HydrophobicContact CD2-CD2 4.07Å; L120-L303 HydrophobicContact CG-CD1 4.04Å
121	Y	97.9	Very high	97.4	Very high	26 Å²	26	34 Å²	34	10%	0.102	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-38.9	174.7	-81.7	-61.3	0	0	0	112.4	R65 A67 V117 S118 R123 V124 P125 A127 V129	R65-Y121 PolarHBondContact O-OH 2.77Å; A67-Y121 HydrophobicContact CB-CD1 4.19Å; A67-Y121 HydrophobicContact CB-CD2 4.1Å; A67-Y121 HydrophobicContact CB-CG 3.84Å; V117-Y121 HydrophobicContact CG1-CD2 3.86Å; V117-Y121 HydrophobicContact CG1-CE2 3.83Å; V117-Y121 WeakPolarHBondContact O-CD2 3.48Å; V117-Y121 PolarHBondContact O-N 3.41Å; S118-Y121 PolarHBondContact O-N 2.8Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 2.91Å; Y121-V124 CarbonylContact O-C 3.6Å; Y121-V124 VanDerWaalsContact O-C 3.27Å; Y121-V124 PolarHBondContact O-N 3.36Å; Y121-P125 WeakPolarHBondContact O-CA 3.39Å; Y121-P125 WeakPolarHBondContact O-CD 3.36Å; Y121-P125 WeakPolarHBondContact O-CG 3Å; Y121-A127 WeakPolarHBondContact CE1-O 3.44Å; Y121-V129 HydrophobicContact CD2-CG2 4.06Å; Y121-V129 HydrophobicContact CE1-CG2 4.17Å; Y121-V129 HydrophobicContact CE2-CB 3.83Å; Y121-V129 HydrophobicContact CE2-CG2 3.67Å; Y121-V129 HydrophobicContact CG-CG2 4.46Å; Y121-V129 PolarHBondContact OH-N 3.47Å
122	E	97.5	Very high	97.7	Very high	136 Å²	136	30.6 Å²	30.6	64%	0.636	16%	0.162	S	C	*	.	H	α-helix	trans	-62.2	-38.3	174.1	-169.3	175.3	146.3	0	0	111.5	S118 L304	S118-E122 WeakPolarHBondContact O-CB 3.23Å; S118-E122 PolarHBondContact O-N 2.91Å; E122-L304 HydrophobicContact CB-CD2 4.03Å; E122-L304 HydrophobicContact CG-CD2 4.07Å; E122-L304 WeakPolarHBondContact OE2-CD2 3.37Å
123	R	97.3	Very high	97.8	Very high	80 Å²	80	31.5 Å²	31.5	30%	0.302	17%	0.167	S	C	.	.	H	α-helix	trans	-77.3	-37.2	179.3	179.6	59.3	-176.8	89	0.1	113.8	A119 L120 Y121 L303 Y339 N340	A119-R123 WeakPolarHBondContact O-CB 3.29Å; A119-R123 PolarHBondContact O-N 2.87Å; L120-R123 PolarHBondContact O-N 2.93Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 2.91Å; R123-L303 HydrophobicContact CB-CB 4.07Å; R123-L303 HydrophobicContact CB-CD2 3.9Å; R123-L303 WeakPolarHBondContact CD-O 3.45Å; R123-L303 HydrophobicContact CG-CB 4.42Å; R123-L303 HydrophobicContact CG-CD2 3.73Å; R123-Y339 HydrophobicContact CG-CD1 4.01Å; R123-Y339 HydrophobicContact CG-CE1 3.9Å; R123-N340 PolarHBondContact NH2-OD1 2.89Å
124	V	97.3	Very high	97.9	Very high	23 Å²	23	31.7 Å²	31.7	14%	0.139	17%	0.168	C	C	.	.			trans	-138.6	83.6	-178.5	-167.5	0	0	0	0	108.7	F97 L120 Y121 T126 A127	F97-V124 HydrophobicContact CE2-CB 4.26Å; F97-V124 HydrophobicContact CE2-CG2 4.16Å; F97-V124 HydrophobicContact CZ-CG2 4.21Å; L120-V124 PolarHBondContact O-N 2.87Å; Y121-V124 CarbonylContact O-C 3.6Å; Y121-V124 VanDerWaalsContact O-C 3.27Å; Y121-V124 PolarHBondContact O-N 3.36Å; V124-T126 PolarHBondContact O-N 2.89Å; V124-A127 HydrophobicContact CB-CB 3.89Å; V124-A127 HydrophobicContact CG1-CB 3.73Å; V124-A127 WeakPolarHBondContact O-CB 3.44Å; V124-A127 PolarHBondContact O-N 2.82Å
125	P	96.6	Very high	97.9	Very high	99 Å²	99	31.7 Å²	31.7	64%	0.643	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.7	-172.5	-29.1	36.4	0	0	0	115.6	Y121	Y121-P125 WeakPolarHBondContact O-CA 3.39Å; Y121-P125 WeakPolarHBondContact O-CD 3.36Å; Y121-P125 WeakPolarHBondContact O-CG 3Å
126	T	96.1	Very high	97.8	Very high	90 Å²	90	32 Å²	32	55%	0.552	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	2.1	-177.6	65.2	0	0	0	0	113.4	T94 V124	T94-T126 WeakPolarHBondContact CB-O 3.24Å; T94-T126 VanDerWaalsContact CG2-O 3.23Å; T94-T126 WeakPolarHBondContact CG2-O 3.48Å; T94-T126 PolarHBondContact OG1-O 2.91Å; V124-T126 PolarHBondContact O-N 2.89Å
127	A	97.2	Very high	97.8	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	18%	0.182	C	C	.	.			trans	-68.6	157.9	-178.7	0	0	0	0	0	111.8	Q95 F97 Y121 V124	Q95-A127 CarbonylContact O-C 3.55Å; Q95-A127 VanDerWaalsContact O-CA 3.23Å; Q95-A127 WeakPolarHBondContact O-CA 3.45Å; Q95-A127 WeakPolarHBondContact O-CB 3.39Å; F97-A127 HydrophobicContact CD2-CB 3.72Å; F97-A127 HydrophobicContact CE2-CB 3.6Å; Y121-A127 WeakPolarHBondContact CE1-O 3.44Å; V124-A127 HydrophobicContact CB-CB 3.89Å; V124-A127 HydrophobicContact CG1-CB 3.73Å; V124-A127 WeakPolarHBondContact O-CB 3.44Å; V124-A127 PolarHBondContact O-N 2.82Å
128	N	97.9	Very high	97.7	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	163.6	-51.4	-65.2	0	0	0	108.2	L64 F90 N91 T94 Q95 T96 F97	L64-N128 HydrophobicContact CD1-CB 3.88Å; F90-N128 HydrophobicContact CD2-CB 3.84Å; F90-N128 HydrophobicContact CE2-CB 3.54Å; F90-N128 VanDerWaalsContact CE2-CG 3.42Å; F90-N128 WeakPolarHBondContact CE2-ND2 3.43Å; F90-N128 HydrophobicContact CZ-CB 4.35Å; F90-N128 WeakPolarHBondContact CZ-ND2 3.4Å; N91-N128 PolarHBondContact N-OD1 3.45Å; N91-N128 PolarHBondContact O-ND2 3.46Å; T94-N128 PolarHBondContact OG1-ND2 2.75Å; Q95-N128 PolarHBondContact O-N 3.47Å; T96-N128 CarbonylContact C-O 3.5Å; T96-N128 WeakPolarHBondContact CA-O 3.5Å; T96-N128 HydrophobicContact CG2-CB 4.17Å; T96-N128 PolarHBondContact OG1-ND2 2.85Å; F97-N128 PolarHBondContact N-O 2.67Å
129	V	98.3	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.8	174.9	-173.4	0	0	0	0	109.7	R65 F97 V99 V117 L120 Y121	R65-V129 PolarHBondContact N-O 3.35Å; F97-V129 HydrophobicContact CB-CG2 4.47Å; F97-V129 HydrophobicContact CD2-CG2 4.25Å; V99-V129 HydrophobicContact CG2-CG1 4.16Å; V117-V129 HydrophobicContact CB-CG1 4.33Å; V117-V129 HydrophobicContact CG1-CB 4.45Å; V117-V129 HydrophobicContact CG1-CG1 4.13Å; V117-V129 HydrophobicContact CG2-CG1 3.88Å; L120-V129 HydrophobicContact CB-CG2 3.95Å; L120-V129 HydrophobicContact CD1-CG1 3.91Å; L120-V129 HydrophobicContact CD1-CG2 4.3Å; Y121-V129 HydrophobicContact CD2-CG2 4.06Å; Y121-V129 HydrophobicContact CE1-CG2 4.17Å; Y121-V129 HydrophobicContact CE2-CB 3.83Å; Y121-V129 HydrophobicContact CE2-CG2 3.67Å; Y121-V129 HydrophobicContact CG-CG2 4.46Å; Y121-V129 PolarHBondContact OH-N 3.47Å
130	I	98.6	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.3	179.8	-55.2	172.7	0	0	0	108.6	F62 S63 L64 M77 F90 T96 F97 I98 V99 F159 L163	F62-I130 HydrophobicContact CB-CG2 3.95Å; F62-I130 HydrophobicContact CD1-CG2 4.48Å; S63-I130 CarbonylContact O-C 3.48Å; S63-I130 VanDerWaalsContact O-CA 3.27Å; S63-I130 WeakPolarHBondContact O-CA 3.32Å; L64-I130 HydrophobicContact CD1-CG1 3.98Å; M77-I130 HydrophobicContact CE-CD1 3.33Å; M77-I130 HydrophobicContact CE-CG1 3.54Å; M77-I130 HydrophobicContact CE-CG2 4.34Å; F90-I130 HydrophobicContact CE2-CD1 4.26Å; T96-I130 HydrophobicContact CG2-CD1 3.71Å; T96-I130 HydrophobicContact CG2-CG1 4.28Å; F97-I130 PolarHBondContact O-N 2.86Å; I98-I130 CarbonylContact C-O 3.54Å; I98-I130 WeakPolarHBondContact CA-O 3.38Å; I98-I130 HydrophobicContact CD1-CD1 4.49Å; I98-I130 HydrophobicContact CG1-CB 4.29Å; I98-I130 HydrophobicContact CG1-CD1 4.28Å; V99-I130 PolarHBondContact N-O 3.27Å; I130-F159 HydrophobicContact CD1-CE1 3.97Å; I130-F159 HydrophobicContact CD1-CZ 4.34Å; I130-L163 HydrophobicContact CD1-CD2 4.4Å
131	V	98.7	Very high	97	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.1	170.6	177	0	0	0	0	108.7	S63 R65 V99 F109 V113 V117	S63-V131 PolarHBondContact N-O 2.9Å; S63-V131 PolarHBondContact O-N 3.12Å; R65-V131 HydrophobicContact CG-CB 4.24Å; R65-V131 HydrophobicContact CG-CG2 3.58Å; V99-V131 HydrophobicContact CB-CG2 4.34Å; F109-V131 HydrophobicContact CE1-CG1 3.74Å; F109-V131 HydrophobicContact CZ-CG1 3.83Å; V113-V131 HydrophobicContact CG1-CG1 4.03Å; V113-V131 HydrophobicContact CG1-CG2 4.09Å; V117-V131 HydrophobicContact CG2-CG2 3.84Å
132	V	98.7	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.4	176.7	-177.1	0	0	0	0	109.1	K61 F62 I98 V99 I100 H101 V156	K61-V132 CarbonylContact O-C 3.57Å; K61-V132 WeakPolarHBondContact O-CA 3.3Å; F62-V132 HydrophobicContact CD1-CG2 3.98Å; F62-V132 HydrophobicContact CE1-CG1 4.2Å; F62-V132 HydrophobicContact CE1-CG2 4.08Å; I98-V132 HydrophobicContact CG2-CG2 3.43Å; I98-V132 VanDerWaalsContact CG2-CG2 3.43Å; V99-V132 PolarHBondContact O-N 2.94Å; I100-V132 HydrophobicContact CG1-CB 4.3Å; I100-V132 HydrophobicContact CG1-CG2 3.94Å; H101-V132 PolarHBondContact CD2-O 3.33Å; H101-V132 PolarHBondContact NE2-O 2.8Å; V132-V156 HydrophobicContact CG1-CG2 3.96Å; V132-V156 HydrophobicContact CG2-CG2 4.21Å
133	D	98.1	Very high	96.4	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.107	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.4	171.1	177.3	6.5	0	0	0	109.5	S60 K61 F109 L135	S60-D133 CarbonylContact C-O 3.59Å; S60-D133 VanDerWaalsContact CA-O 3.3Å; S60-D133 WeakPolarHBondContact CA-O 3.39Å; K61-D133 HydrophobicContact CB-CB 4.13Å; K61-D133 PolarHBondContact N-O 3.44Å; K61-D133 PolarHBondContact O-N 2.88Å; F109-D133 HydrophobicContact CZ-CB 3.93Å; D133-L135 WeakPolarHBondContact OD1-CB 3.4Å; D133-L135 VanDerWaalsContact OD1-CG 3.28Å; D133-L135 WeakPolarHBondContact OD1-CG 3.42Å; D133-L135 PolarHBondContact OD1-N 3.21Å
134	W	98.4	Very high	96.3	Very high	6 Å²	6	41.4 Å²	41.4	2%	0.023	23%	0.228	C	C	.	.			trans	-129.3	28.1	167	67.4	-73.7	0	0	0	111.3	H101 T136 R137 A138 V152 L181	H101-W134 AromaticContact CD2-CD1 3.62Å; H101-W134 AromaticContact CD2-NE1 3.68Å; H101-W134 AromaticContact CE1-CD1 3.42Å; H101-W134 VanDerWaalsContact CE1-CD1 3.42Å; H101-W134 AromaticContact CE1-CE2 3.73Å; H101-W134 AromaticContact CE1-CG 3.83Å; H101-W134 AromaticContact CE1-NE1 3.34Å; H101-W134 PolarHBondContact CE1-NE1 2.8Å; H101-W134 VanDerWaalsContact CE1-NE1 3.34Å; H101-W134 AromaticContact CG-NE1 3.76Å; H101-W134 AromaticContact ND1-CE2 3.96Å; H101-W134 AromaticContact ND1-NE1 3.53Å; H101-W134 AromaticContact NE2-CD1 3.12Å; H101-W134 AromaticContact NE2-CG 3.74Å; H101-W134 PolarHBondContact NE2-N 2.97Å; H101-W134 AromaticContact NE2-NE1 3.45Å; H101-W134 PolarHBondContact NE2-NE1 3.09Å; H101-W134 VanDerWaalsContact O-CZ2 3.25Å; H101-W134 WeakPolarHBondContact O-CZ2 3.31Å; H101-W134 PolarHBondContact O-NE1 2.91Å; W134-T136 VanDerWaalsContact C-N 3.26Å; W134-T136 PolarHBondContact O-N 3.43Å; W134-T136 VanDerWaalsContact O-N 3.15Å; W134-R137 HydrophobicContact CE3-CB 3.8Å; W134-R137 HydrophobicContact CZ3-CB 4.4Å; W134-R137 PolarHBondContact O-N 2.96Å; W134-A138 HydrophobicContact CD2-CB 3.86Å; W134-A138 HydrophobicContact CE3-CB 3.61Å; W134-A138 HydrophobicContact CH2-CB 3.74Å; W134-A138 HydrophobicContact CZ2-CB 3.96Å; W134-A138 VanDerWaalsContact CZ3-CA 3.43Å; W134-A138 HydrophobicContact CZ3-CB 3.56Å; W134-A138 PolarHBondContact O-N 3.33Å; W134-V152 HydrophobicContact CB-CG1 3.83Å; W134-V152 HydrophobicContact CB-CG2 3.84Å; W134-V152 HydrophobicContact CD2-CG1 4.12Å; W134-V152 HydrophobicContact CD2-CG2 3.96Å; W134-V152 HydrophobicContact CE3-CG2 3.69Å; W134-V152 HydrophobicContact CG-CG1 3.74Å; W134-V152 HydrophobicContact CG-CG2 4.05Å; W134-L181 HydrophobicContact CH2-CB 3.77Å; W134-L181 HydrophobicContact CH2-CD1 3.86Å; W134-L181 HydrophobicContact CH2-CG 4.48Å; W134-L181 HydrophobicContact CZ2-CB 4Å
135	L	97.6	Very high	96.3	Very high	20 Å²	20	40.3 Å²	40.3	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-53.1	-40.3	-171.9	-70.7	167.8	0	0	0	112.8	T104 F109 D133 R137 A138 N139	T104-L135 HydrophobicContact CG2-CD2 3.82Å; F109-L135 HydrophobicContact CD1-CD1 4.38Å; F109-L135 HydrophobicContact CD1-CD2 4.23Å; F109-L135 HydrophobicContact CD2-CD1 4.08Å; F109-L135 HydrophobicContact CE1-CD1 4.24Å; F109-L135 HydrophobicContact CE1-CD2 4.42Å; F109-L135 HydrophobicContact CE1-CG 4.31Å; F109-L135 HydrophobicContact CE2-CD1 3.91Å; F109-L135 HydrophobicContact CG-CD1 4.31Å; F109-L135 HydrophobicContact CZ-CD1 4.01Å; F109-L135 HydrophobicContact CZ-CG 4.43Å; D133-L135 WeakPolarHBondContact OD1-CB 3.4Å; D133-L135 VanDerWaalsContact OD1-CG 3.28Å; D133-L135 WeakPolarHBondContact OD1-CG 3.42Å; D133-L135 PolarHBondContact OD1-N 3.21Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.11Å; L135-A138 CarbonylContact O-C 3.43Å; L135-A138 PolarHBondContact O-N 2.02Å; L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.33Å
136	T	96.4	Very high	96.2	Very high	108 Å²	108	35.7 Å²	35.7	66%	0.663	19%	0.191	S	C	*	.	H	α-helix	trans	-59.1	-41.2	178	-50.3	0	0	0	0	112.7	W134 Q140	W134-T136 VanDerWaalsContact C-N 3.26Å; W134-T136 PolarHBondContact O-N 3.43Å; W134-T136 VanDerWaalsContact O-N 3.15Å; T136-Q140 PolarHBondContact O-NE2 3.35Å
137	R	98.2	Very high	96.3	Very high	30 Å²	30	34.4 Å²	34.4	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-80.5	-29.4	177.2	-78.4	176.2	178.7	158.9	0.2	111.7	V59 W134 L135 N139 S145 Y148 V152 D155	V59-R137 VanDerWaalsContact CG2-NH2 3.34Å; W134-R137 HydrophobicContact CE3-CB 3.8Å; W134-R137 HydrophobicContact CZ3-CB 4.4Å; W134-R137 PolarHBondContact O-N 2.96Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.11Å; R137-N139 VanDerWaalsContact C-N 3.34Å; R137-S145 PolarHBondContact O-OG 3.32Å; R137-S145 VanDerWaalsContact O-OG 3.04Å; R137-Y148 HydrophobicContact CB-CD2 3.85Å; R137-Y148 HydrophobicContact CB-CG 3.99Å; R137-Y148 HydrophobicContact CG-CD1 4.25Å; R137-Y148 HydrophobicContact CG-CD2 3.91Å; R137-Y148 HydrophobicContact CG-CE2 4.35Å; R137-Y148 HydrophobicContact CG-CG 3.87Å; R137-V152 HydrophobicContact CB-CG2 4.44Å; R137-D155 IonicContact CZ-OD2 2.75Å; R137-D155 IonicContact NH1-OD2 2.68Å; R137-D155 PolarHBondContact NH1-OD2 3.07Å; R137-D155 IonicContact NH2-OD2 3.77Å
138	A	96.3	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-76.3	-19.5	177.6	0	0	0	0	0	113.9	W103 T104 W134 L135 Q140 S145	W103-A138 PolarHBondContact NE1-O 3.13Å; T104-A138 HydrophobicContact CG2-CB 4.05Å; T104-A138 PolarHBondContact N-O 3.32Å; W134-A138 HydrophobicContact CD2-CB 3.86Å; W134-A138 HydrophobicContact CE3-CB 3.61Å; W134-A138 HydrophobicContact CH2-CB 3.74Å; W134-A138 HydrophobicContact CZ2-CB 3.96Å; W134-A138 VanDerWaalsContact CZ3-CA 3.43Å; W134-A138 HydrophobicContact CZ3-CB 3.56Å; W134-A138 PolarHBondContact O-N 3.33Å; L135-A138 CarbonylContact O-C 3.43Å; L135-A138 PolarHBondContact O-N 2.02Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-S145 PolarHBondContact O-OG 3.48Å
139	N	95.8	Very high	96.4	Very high	63 Å²	63	37.7 Å²	37.7	34%	0.337	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	21.9	-178.5	-170.1	-118.3	0	0	0	114.2	T104 V105 G107 L135 R137	T104-N139 HydrophobicContact CG2-CB 4.42Å; T104-N139 VanDerWaalsContact O-CA 3.31Å; T104-N139 WeakPolarHBondContact O-CA 3.06Å; T104-N139 PolarHBondContact O-ND2 3.08Å; V105-N139 PolarHBondContact O-ND2 3.47Å; G107-N139 PolarHBondContact N-ND2 2.66Å; L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.33Å; R137-N139 VanDerWaalsContact C-N 3.34Å
140	Q	94.5	Very high	96.3	Very high	80 Å²	80	43 Å²	43	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-96.3	169.5	175.4	-53.8	-59.6	-42.5	0	0	110.3	W103 T136 A138 Y142 T144 S145 Y148	W103-Q140 PolarHBondContact NE1-O 2.85Å; T136-Q140 PolarHBondContact O-NE2 3.35Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 3.39Å; Q140-T144 HydrophobicContact CB-CG2 4.13Å; Q140-S145 VanDerWaalsContact C-OG 3.3Å; Q140-S145 WeakPolarHBondContact CA-OG 3.2Å; Q140-S145 WeakPolarHBondContact CB-OG 3.35Å; Q140-S145 PolarHBondContact N-OG 3.25Å; Q140-S145 VanDerWaalsContact N-OG 3.11Å; Q140-S145 PolarHBondContact O-OG 2.81Å; Q140-Y148 HydrophobicContact CG-CD2 4.38Å; Q140-Y148 HydrophobicContact CG-CE2 3.97Å
141	H	90.3	Very high	96.3	Very high	145 Å²	145	46.1 Å²	46.1	67%	0.671	24%	0.241	S	C	*	.			trans	-50.1	138.2	169.7	-176.4	-112.4	0	0	0	110.3	P143 T144 S145	H141-P143 VanDerWaalsContact CE1-CD 3.45Å; H141-P143 WeakPolarHBondContact CE1-CD 3.28Å; H141-P143 VanDerWaalsContact ND1-CD 3.35Å; H141-P143 WeakPolarHBondContact ND1-CD 3.26Å; H141-T144 WeakPolarHBondContact O-CA 3.39Å; H141-T144 VanDerWaalsContact O-CB 3.26Å; H141-T144 WeakPolarHBondContact O-CB 3.03Å; H141-T144 PolarHBondContact O-N 3.18Å; H141-S145 PolarHBondContact O-N 3.43Å
142	Y	89.9	Confident	96.3	Very high	49 Å²	49	46 Å²	46	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-50.6	-51.8	-162	172.4	-84.1	0	0	0	114.8	W103 Q140 T144 S145 A146 L181 P208	W103-Y142 HydrophobicContact CD2-CD2 4.46Å; W103-Y142 HydrophobicContact CG-CD2 4.31Å; Q140-Y142 PolarHBondContact O-N 3.39Å; Y142-T144 PolarHBondContact O-N 3.16Å; Y142-S145 PolarHBondContact O-N 3.44Å; Y142-S145 VanDerWaalsContact O-N 3.16Å; Y142-A146 HydrophobicContact CE1-CB 4.28Å; Y142-A146 WeakPolarHBondContact O-CB 3.37Å; Y142-A146 PolarHBondContact O-N 3.14Å; Y142-L181 HydrophobicContact CE2-CD2 4.2Å; Y142-P208 HydrophobicContact CE1-CB 3.67Å; Y142-P208 HydrophobicContact CE1-CG 4.4Å; Y142-P208 WeakPolarHBondContact OH-CD 3.32Å; Y142-P208 PolarHBondContact OH-O 3.07Å
143	P	92.9	Very high	96.3	Very high	64 Å²	64	46 Å²	46	42%	0.416	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-33.8	177	-25.2	35.1	0	0	0	113.9	H141 A147	H141-P143 VanDerWaalsContact CE1-CD 3.45Å; H141-P143 WeakPolarHBondContact CE1-CD 3.28Å; H141-P143 VanDerWaalsContact ND1-CD 3.35Å; H141-P143 WeakPolarHBondContact ND1-CD 3.26Å; P143-A147 PolarHBondContact O-N 3.48Å
144	T	95.6	Very high	96.3	Very high	59 Å²	59	48.5 Å²	48.5	36%	0.362	25%	0.248	S	C	.	.	H	α-helix	trans	-69.4	-47.4	176.4	-49.8	0	0	0	0	110.5	Q140 H141 Y142 A146 A147 Y148	Q140-T144 HydrophobicContact CB-CG2 4.13Å; H141-T144 WeakPolarHBondContact O-CA 3.39Å; H141-T144 VanDerWaalsContact O-CB 3.26Å; H141-T144 WeakPolarHBondContact O-CB 3.03Å; H141-T144 PolarHBondContact O-N 3.18Å; Y142-T144 PolarHBondContact O-N 3.16Å; T144-A146 VanDerWaalsContact C-N 3.29Å; T144-A146 PolarHBondContact O-N 2.99Å; T144-A147 WeakPolarHBondContact O-CB 3.33Å; T144-A147 PolarHBondContact O-N 3.15Å; T144-Y148 HydrophobicContact CG2-CD2 4.17Å; T144-Y148 HydrophobicContact CG2-CE2 3.58Å; T144-Y148 VanDerWaalsContact O-CD2 3.3Å; T144-Y148 WeakPolarHBondContact O-CD2 3.09Å; T144-Y148 PolarHBondContact O-N 2.97Å
145	S	95.8	Very high	96.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-38.7	174	-62.3	0	0	0	0	112	R137 A138 Q140 H141 Y142 Y148 T149	R137-S145 PolarHBondContact O-OG 3.32Å; R137-S145 VanDerWaalsContact O-OG 3.04Å; A138-S145 PolarHBondContact O-OG 3.48Å; Q140-S145 VanDerWaalsContact C-OG 3.3Å; Q140-S145 WeakPolarHBondContact CA-OG 3.2Å; Q140-S145 WeakPolarHBondContact CB-OG 3.35Å; Q140-S145 PolarHBondContact N-OG 3.25Å; Q140-S145 VanDerWaalsContact N-OG 3.11Å; Q140-S145 PolarHBondContact O-OG 2.81Å; H141-S145 PolarHBondContact O-N 3.43Å; Y142-S145 PolarHBondContact O-N 3.44Å; Y142-S145 VanDerWaalsContact O-N 3.16Å; S145-Y148 PolarHBondContact O-N 3.02Å; S145-T149 PolarHBondContact O-N 2.94Å
146	A	95.9	Very high	96.3	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-42.9	174.7	0	0	0	0	0	111.5	Y142 T144 Y148 T149 L181 F210	Y142-A146 HydrophobicContact CE1-CB 4.28Å; Y142-A146 WeakPolarHBondContact O-CB 3.37Å; Y142-A146 PolarHBondContact O-N 3.14Å; T144-A146 VanDerWaalsContact C-N 3.29Å; T144-A146 PolarHBondContact O-N 2.99Å; A146-Y148 VanDerWaalsContact C-N 3.3Å; A146-Y148 PolarHBondContact O-N 2.88Å; A146-T149 WeakPolarHBondContact O-CB 3.32Å; A146-T149 VanDerWaalsContact O-CG2 3.3Å; A146-T149 WeakPolarHBondContact O-CG2 3.39Å; A146-T149 PolarHBondContact O-N 2.51Å; A146-T149 PolarHBondContact O-OG1 3.41Å; A146-L181 HydrophobicContact CB-CD2 4.09Å; A146-F210 HydrophobicContact CB-CE2 3.82Å; A146-F210 HydrophobicContact CB-CZ 3.98Å
147	A	97	Very high	96.4	Very high	64 Å²	64	42.1 Å²	42.1	53%	0.529	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-36.4	174.3	0	0	0	0	0	112.3	P143 T144 T149 K150	P143-A147 PolarHBondContact O-N 3.48Å; T144-A147 WeakPolarHBondContact O-CB 3.33Å; T144-A147 PolarHBondContact O-N 3.15Å; A147-T149 PolarHBondContact O-N 2.87Å; A147-K150 PolarHBondContact O-N 2.73Å
148	Y	98.4	Very high	96.3	Very high	79 Å²	79	40.8 Å²	40.8	31%	0.31	21%	0.206	S	C	.	.	H	α-helix	trans	-65.7	-15.4	177	-74	-42.8	0	0	0	114.7	R137 Q140 T144 S145 A146 K150 L151 V152	R137-Y148 HydrophobicContact CB-CD2 3.85Å; R137-Y148 HydrophobicContact CB-CG 3.99Å; R137-Y148 HydrophobicContact CG-CD1 4.25Å; R137-Y148 HydrophobicContact CG-CD2 3.91Å; R137-Y148 HydrophobicContact CG-CE2 4.35Å; R137-Y148 HydrophobicContact CG-CG 3.87Å; Q140-Y148 HydrophobicContact CG-CD2 4.38Å; Q140-Y148 HydrophobicContact CG-CE2 3.97Å; T144-Y148 HydrophobicContact CG2-CD2 4.17Å; T144-Y148 HydrophobicContact CG2-CE2 3.58Å; T144-Y148 VanDerWaalsContact O-CD2 3.3Å; T144-Y148 WeakPolarHBondContact O-CD2 3.09Å; T144-Y148 PolarHBondContact O-N 2.97Å; S145-Y148 PolarHBondContact O-N 3.02Å; A146-Y148 VanDerWaalsContact C-N 3.3Å; A146-Y148 PolarHBondContact O-N 2.88Å; Y148-K150 PolarHBondContact O-N 2.73Å; Y148-K150 VanDerWaalsContact O-N 3.15Å; Y148-L151 HydrophobicContact CD1-CD1 3.77Å; Y148-L151 HydrophobicContact CD1-CG 4.45Å; Y148-L151 HydrophobicContact CE1-CD1 4.06Å; Y148-L151 PolarHBondContact O-N 3.46Å; Y148-V152 WeakPolarHBondContact O-CG2 3.32Å; Y148-V152 PolarHBondContact O-N 2.78Å
149	T	98.5	Very high	96.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-55.5	-32	174.1	61.3	0	0	0	0	112.6	S145 A146 A147 G153 L181 V185 F210	S145-T149 PolarHBondContact O-N 2.94Å; A146-T149 WeakPolarHBondContact O-CB 3.32Å; A146-T149 VanDerWaalsContact O-CG2 3.3Å; A146-T149 WeakPolarHBondContact O-CG2 3.39Å; A146-T149 PolarHBondContact O-N 2.51Å; A146-T149 PolarHBondContact O-OG1 3.41Å; A147-T149 PolarHBondContact O-N 2.87Å; T149-G153 PolarHBondContact O-N 2.84Å; T149-L181 HydrophobicContact CG2-CB 4Å; T149-L181 HydrophobicContact CG2-CD2 4.17Å; T149-L181 HydrophobicContact CG2-CG 4.49Å; T149-V185 HydrophobicContact CG2-CG2 3.94Å; T149-F210 HydrophobicContact CG2-CZ 4.08Å
150	K	97.6	Very high	96.5	Very high	111 Å²	111	38 Å²	38	48%	0.483	19%	0.191	S	C	.	.	H	α-helix	trans	-64.7	-46	174	-68.1	-172.1	175.6	-168.6	0	112.8	A147 Y148 R154 I188 S217	A147-K150 PolarHBondContact O-N 2.73Å; Y148-K150 PolarHBondContact O-N 2.73Å; Y148-K150 VanDerWaalsContact O-N 3.15Å; K150-R154 WeakPolarHBondContact O-CB 3.5Å; K150-R154 PolarHBondContact O-N 3.18Å; K150-I188 HydrophobicContact CG-CD1 4.07Å; K150-S217 VanDerWaalsContact CE-OG 3.23Å; K150-S217 WeakPolarHBondContact CE-OG 3.46Å; K150-S217 PolarHBondContact NZ-OG 3.21Å
151	L	97.9	Very high	96.5	Very high	65 Å²	65	34.2 Å²	34.2	34%	0.34	17%	0.173	S	C	.	.	H	α-helix	trans	-67.9	-43.2	178.8	-61.9	-173.7	0	0	0	111.2	Y148 R154 D155	Y148-L151 HydrophobicContact CD1-CD1 3.77Å; Y148-L151 HydrophobicContact CD1-CG 4.45Å; Y148-L151 HydrophobicContact CE1-CD1 4.06Å; Y148-L151 PolarHBondContact O-N 3.46Å; L151-R154 WeakPolarHBondContact O-CB 3.37Å; L151-R154 PolarHBondContact O-N 2.85Å; L151-D155 VanDerWaalsContact O-CG 3.27Å; L151-D155 PolarHBondContact O-N 2.87Å
152	V	98.6	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-39.6	178.3	-178.2	0	0	0	0	110.9	W134 R137 Y148 R154 D155 V156 V185	W134-V152 HydrophobicContact CB-CG1 3.83Å; W134-V152 HydrophobicContact CB-CG2 3.84Å; W134-V152 HydrophobicContact CD2-CG1 4.12Å; W134-V152 HydrophobicContact CD2-CG2 3.96Å; W134-V152 HydrophobicContact CE3-CG2 3.69Å; W134-V152 HydrophobicContact CG-CG1 3.74Å; W134-V152 HydrophobicContact CG-CG2 4.05Å; R137-V152 HydrophobicContact CB-CG2 4.44Å; Y148-V152 WeakPolarHBondContact O-CG2 3.32Å; Y148-V152 PolarHBondContact O-N 2.78Å; V152-R154 VanDerWaalsContact C-N 3.28Å; V152-R154 PolarHBondContact O-N 2.8Å; V152-D155 PolarHBondContact O-N 2.97Å; V152-D155 VanDerWaalsContact O-N 3.17Å; V152-V156 HydrophobicContact CG1-CG2 4.4Å; V152-V156 VanDerWaalsContact O-CG2 3.31Å; V152-V156 WeakPolarHBondContact O-CG2 3.33Å; V152-V156 PolarHBondContact O-N 3.1Å; V152-V185 HydrophobicContact CB-CG1 4.12Å; V152-V185 HydrophobicContact CB-CG2 4.04Å; V152-V185 HydrophobicContact CG1-CB 4.48Å; V152-V185 HydrophobicContact CG1-CG1 3.55Å; V152-V185 HydrophobicContact CG1-CG2 4.05Å
153	G	98.4	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-40.4	174.4	0	0	0	0	0	111.9	T149 V156 A157 A189	T149-G153 PolarHBondContact O-N 2.84Å; G153-V156 PolarHBondContact O-N 2.98Å; G153-A157 WeakPolarHBondContact O-CB 3.3Å; G153-A157 PolarHBondContact O-N 3.26Å; G153-A189 WeakPolarHBondContact O-CA 3.45Å; G153-A189 WeakPolarHBondContact O-CB 3.31Å
154	R	97.7	Very high	97.1	Very high	71 Å²	71	24.2 Å²	24.2	27%	0.268	12%	0.123	S	C	.	.	H	α-helix	trans	-62.9	-45.3	172.2	-171	-172.3	66.1	151.7	8.9	112.3	W51 D57 K150 L151 V152 V156 A157 K158 L192	W51-R154 HydrophobicContact CE3-CG 4.32Å; W51-R154 HydrophobicContact CH2-CG 4.37Å; W51-R154 HydrophobicContact CZ3-CG 3.58Å; D57-R154 IonicContact OD2-CZ 3.46Å; D57-R154 IonicContact OD2-NH1 3.07Å; D57-R154 PolarHBondContact OD2-NH1 2.94Å; D57-R154 VanDerWaalsContact OD2-NH1 3.11Å; D57-R154 IonicContact OD2-NH2 3.53Å; D57-R154 PolarHBondContact OD2-NH2 3.16Å; K150-R154 WeakPolarHBondContact O-CB 3.5Å; K150-R154 PolarHBondContact O-N 3.18Å; L151-R154 WeakPolarHBondContact O-CB 3.37Å; L151-R154 PolarHBondContact O-N 2.85Å; V152-R154 VanDerWaalsContact C-N 3.28Å; V152-R154 PolarHBondContact O-N 2.8Å; R154-V156 VanDerWaalsContact C-N 3.34Å; R154-V156 PolarHBondContact O-N 2.94Å; R154-A157 PolarHBondContact O-N 3.35Å; R154-K158 WeakPolarHBondContact O-CG 3.4Å; R154-K158 PolarHBondContact O-N 2.81Å; R154-L192 HydrophobicContact CB-CD1 4.14Å; R154-L192 HydrophobicContact CG-CD1 4.47Å
155	D	98.4	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-44.9	177.9	-67.8	-0.3	0	0	0	110.8	I58 V59 S60 R137 L151 V152 K158 F159	I58-D155 HydrophobicContact CG1-CB 4.46Å; I58-D155 HydrophobicContact CG2-CB 4.17Å; V59-D155 PolarHBondContact N-OD2 2.78Å; V59-D155 VanDerWaalsContact N-OD2 3.15Å; S60-D155 PolarHBondContact N-OD2 3.19Å; R137-D155 IonicContact CZ-OD2 2.75Å; R137-D155 IonicContact NH1-OD2 2.68Å; R137-D155 PolarHBondContact NH1-OD2 3.07Å; R137-D155 IonicContact NH2-OD2 3.77Å; L151-D155 VanDerWaalsContact O-CG 3.27Å; L151-D155 PolarHBondContact O-N 2.87Å; V152-D155 PolarHBondContact O-N 2.97Å; V152-D155 VanDerWaalsContact O-N 3.17Å; D155-K158 PolarHBondContact O-N 2.83Å; D155-F159 WeakPolarHBondContact O-CB 3.03Å; D155-F159 PolarHBondContact O-N 2.77Å
156	V	98.5	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-42.8	176.1	176.7	0	0	0	0	111.4	F62 I100 V132 V152 G153 R154 F159 V160 V185 A189	F62-V156 HydrophobicContact CE1-CB 4.49Å; F62-V156 HydrophobicContact CE1-CG2 4.05Å; I100-V156 HydrophobicContact CD1-CG1 4.44Å; V132-V156 HydrophobicContact CG1-CG2 3.96Å; V132-V156 HydrophobicContact CG2-CG2 4.21Å; V152-V156 HydrophobicContact CG1-CG2 4.4Å; V152-V156 VanDerWaalsContact O-CG2 3.31Å; V152-V156 WeakPolarHBondContact O-CG2 3.33Å; V152-V156 PolarHBondContact O-N 3.1Å; G153-V156 PolarHBondContact O-N 2.98Å; R154-V156 VanDerWaalsContact C-N 3.34Å; R154-V156 PolarHBondContact O-N 2.94Å; V156-F159 PolarHBondContact O-N 2.95Å; V156-V160 HydrophobicContact CG1-CG2 4.2Å; V156-V160 WeakPolarHBondContact O-CB 3.34Å; V156-V160 VanDerWaalsContact O-CG2 3.3Å; V156-V160 WeakPolarHBondContact O-CG2 3.49Å; V156-V160 PolarHBondContact O-N 3.26Å; V156-V185 HydrophobicContact CG2-CG1 4.06Å; V156-A189 HydrophobicContact CB-CB 3.83Å; V156-A189 HydrophobicContact CG1-CB 3.67Å
157	A	97.8	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-45.8	177.2	0	0	0	0	0	112.1	G153 R154 F159 V160 T161 A189 L192 T193	G153-A157 WeakPolarHBondContact O-CB 3.3Å; G153-A157 PolarHBondContact O-N 3.26Å; R154-A157 PolarHBondContact O-N 3.35Å; A157-F159 PolarHBondContact O-N 3.05Å; A157-V160 PolarHBondContact O-N 2.83Å; A157-T161 VanDerWaalsContact O-CB 3.27Å; A157-T161 WeakPolarHBondContact O-CB 3.45Å; A157-T161 PolarHBondContact O-N 3Å; A157-T161 PolarHBondContact O-OG1 2.99Å; A157-A189 HydrophobicContact CB-CB 4.46Å; A157-L192 HydrophobicContact CB-CB 3.61Å; A157-L192 HydrophobicContact CB-CD1 4.48Å; A157-T193 HydrophobicContact CB-CG2 4.37Å
158	K	97.2	Very high	96.6	Very high	3 Å²	3	38 Å²	38	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-48	174.9	-73.2	-173.3	-179.4	-160.4	0	111.2	W51 D54 F55 D57 I58 R154 D155 T161 W162	W51-K158 HydrophobicContact CE3-CG 4.44Å; W51-K158 HydrophobicContact CZ3-CG 4Å; W51-K158 WeakPolarHBondContact O-CE 3.1Å; W51-K158 PolarHBondContact O-NZ 3.3Å; D54-K158 PolarHBondContact O-NZ 2.81Å; F55-K158 HydrophobicContact CD1-CB 4.43Å; F55-K158 HydrophobicContact CE1-CB 4.47Å; D57-K158 VanDerWaalsContact CG-NZ 3.31Å; D57-K158 IonicContact OD1-NZ 3.2Å; D57-K158 PolarHBondContact OD1-NZ 2.87Å; D57-K158 IonicContact OD2-NZ 2.76Å; D57-K158 PolarHBondContact OD2-NZ 2.83Å; I58-K158 HydrophobicContact CD1-CB 3.88Å; I58-K158 HydrophobicContact CD1-CD 4.14Å; I58-K158 HydrophobicContact CG1-CD 4.11Å; R154-K158 WeakPolarHBondContact O-CG 3.4Å; R154-K158 PolarHBondContact O-N 2.81Å; D155-K158 PolarHBondContact O-N 2.83Å; K158-T161 PolarHBondContact O-N 2.71Å; K158-W162 VanDerWaalsContact O-CB 3.25Å; K158-W162 WeakPolarHBondContact O-CB 3.05Å; K158-W162 PolarHBondContact O-N 3.44Å
159	F	97.6	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-48	179.3	176.3	-93.3	0	0	0	112.3	F62 M77 A79 I130 D155 V156 A157 W162 L163	F62-F159 HydrophobicContact CB-CD2 4.1Å; F62-F159 HydrophobicContact CB-CE1 4.21Å; F62-F159 HydrophobicContact CB-CE2 3.74Å; F62-F159 HydrophobicContact CB-CG 4.49Å; F62-F159 HydrophobicContact CB-CZ 3.83Å; F62-F159 HydrophobicContact CD1-CB 4.14Å; F62-F159 AromaticContact CD1-CD1 3.54Å; F62-F159 HydrophobicContact CD1-CD1 3.54Å; F62-F159 AromaticContact CD1-CD2 3.99Å; F62-F159 HydrophobicContact CD1-CD2 3.99Å; F62-F159 AromaticContact CD1-CE1 3.95Å; F62-F159 HydrophobicContact CD1-CE1 3.95Å; F62-F159 HydrophobicContact CD1-CE2 4.35Å; F62-F159 AromaticContact CD1-CG 3.59Å; F62-F159 HydrophobicContact CD1-CG 3.59Å; F62-F159 HydrophobicContact CD1-CZ 4.35Å; F62-F159 HydrophobicContact CD2-CB 4.18Å; F62-F159 HydrophobicContact CD2-CD1 4.45Å; F62-F159 AromaticContact CD2-CD2 3.38Å; F62-F159 HydrophobicContact CD2-CD2 3.38Å; F62-F159 AromaticContact CD2-CE2 3.89Å; F62-F159 HydrophobicContact CD2-CE2 3.89Å; F62-F159 AromaticContact CD2-CG 3.73Å; F62-F159 HydrophobicContact CD2-CG 3.73Å; F62-F159 HydrophobicContact CE1-CB 3.62Å; F62-F159 AromaticContact CE1-CD1 3.78Å; F62-F159 HydrophobicContact CE1-CD1 3.78Å; F62-F159 HydrophobicContact CE1-CD2 4.29Å; F62-F159 AromaticContact CE1-CG 3.61Å; F62-F159 HydrophobicContact CE1-CG 3.61Å; F62-F159 HydrophobicContact CE2-CB 3.68Å; F62-F159 AromaticContact CE2-CD2 3.75Å; F62-F159 HydrophobicContact CE2-CD2 3.75Å; F62-F159 AromaticContact CE2-CG 3.77Å; F62-F159 HydrophobicContact CE2-CG 3.77Å; F62-F159 HydrophobicContact CG-CB 4.4Å; F62-F159 AromaticContact CG-CD1 3.92Å; F62-F159 HydrophobicContact CG-CD1 3.92Å; F62-F159 AromaticContact CG-CD2 3.53Å; F62-F159 HydrophobicContact CG-CD2 3.53Å; F62-F159 HydrophobicContact CG-CE1 4.1Å; F62-F159 AromaticContact CG-CE2 3.72Å; F62-F159 HydrophobicContact CG-CE2 3.72Å; F62-F159 AromaticContact CG-CG 3.65Å; F62-F159 HydrophobicContact CG-CG 3.65Å; F62-F159 HydrophobicContact CG-CZ 4.02Å; F62-F159 HydrophobicContact CZ-CB 3.37Å; F62-F159 HydrophobicContact CZ-CD1 4.36Å; F62-F159 HydrophobicContact CZ-CD2 4.19Å; F62-F159 AromaticContact CZ-CG 3.71Å; F62-F159 HydrophobicContact CZ-CG 3.71Å; M77-F159 HydrophobicContact CB-CE2 3.86Å; M77-F159 HydrophobicContact CB-CZ 3.97Å; M77-F159 HydrophobicContact CE-CZ 3.93Å; M77-F159 HydrophobicContact SD-CZ 4.48Å; A79-F159 HydrophobicContact CB-CD2 4.21Å; I130-F159 HydrophobicContact CD1-CE1 3.97Å; I130-F159 HydrophobicContact CD1-CZ 4.34Å; D155-F159 WeakPolarHBondContact O-CB 3.03Å; D155-F159 PolarHBondContact O-N 2.77Å; V156-F159 PolarHBondContact O-N 2.95Å; A157-F159 PolarHBondContact O-N 3.05Å; F159-W162 HydrophobicContact CD2-CE3 4.16Å; F159-W162 HydrophobicContact CD2-CZ3 4.3Å; F159-W162 HydrophobicContact CE2-CE3 4.1Å; F159-W162 AromaticContact CE2-CZ3 3.82Å; F159-W162 HydrophobicContact CE2-CZ3 3.82Å; F159-W162 HydrophobicContact CZ-CZ3 4.49Å; F159-W162 PolarHBondContact O-N 2.96Å; F159-L163 HydrophobicContact CE1-CD2 4.09Å; F159-L163 HydrophobicContact CZ-CD2 4.28Å; F159-L163 WeakPolarHBondContact O-CB 3.44Å; F159-L163 PolarHBondContact O-N 2.8Å
160	V	96.9	Very high	96.1	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-45.5	179.7	170.9	0	0	0	0	111.1	I98 V156 A157 W162 L163 Q164 W171 I174 T193 I197	I98-V160 HydrophobicContact CD1-CG2 3.51Å; V156-V160 HydrophobicContact CG1-CG2 4.2Å; V156-V160 WeakPolarHBondContact O-CB 3.34Å; V156-V160 VanDerWaalsContact O-CG2 3.3Å; V156-V160 WeakPolarHBondContact O-CG2 3.49Å; V156-V160 PolarHBondContact O-N 3.26Å; A157-V160 PolarHBondContact O-N 2.83Å; V160-W162 VanDerWaalsContact C-N 3.35Å; V160-W162 PolarHBondContact O-N 3.15Å; V160-L163 PolarHBondContact O-N 3.4Å; V160-Q164 WeakPolarHBondContact O-CB 3.37Å; V160-Q164 PolarHBondContact O-N 3.32Å; V160-W171 HydrophobicContact CG1-CZ3 3.82Å; V160-I174 HydrophobicContact CG1-CD1 3.79Å; V160-I174 HydrophobicContact CG1-CG2 4.48Å; V160-T193 HydrophobicContact CB-CG2 4.32Å; V160-T193 HydrophobicContact CG1-CG2 4.08Å; V160-I197 HydrophobicContact CG1-CG2 4.46Å
161	T	95.6	Very high	96	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-40.1	177.6	-64.9	0	0	0	0	111.6	M52 A157 K158 K165 D194	M52-T161 HydrophobicContact SD-CG2 4.24Å; A157-T161 VanDerWaalsContact O-CB 3.27Å; A157-T161 WeakPolarHBondContact O-CB 3.45Å; A157-T161 PolarHBondContact O-N 3Å; A157-T161 PolarHBondContact O-OG1 2.99Å; K158-T161 PolarHBondContact O-N 2.71Å; T161-K165 HydrophobicContact CG2-CD 4.03Å; T161-K165 VanDerWaalsContact CG2-NZ 3.34Å; T161-K165 WeakPolarHBondContact O-CB 3.27Å; T161-K165 VanDerWaalsContact O-CG 3.3Å; T161-K165 WeakPolarHBondContact O-CG 3.45Å; T161-K165 PolarHBondContact O-N 2.85Å; T161-D194 VanDerWaalsContact CG2-OD2 3.29Å; T161-D194 WeakPolarHBondContact CG2-OD2 3.27Å
162	W	95.8	Very high	95.8	Very high	8 Å²	8	34.3 Å²	34.3	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-54.2	174.1	168.5	72	0	0	0	111.6	F55 V78 A79 P82 I85 K158 F159 V160 Q164 K165 E166	F55-W162 HydrophobicContact CE1-CB 3.7Å; F55-W162 HydrophobicContact CE1-CG 4.11Å; F55-W162 AromaticContact CE2-CD1 3.71Å; F55-W162 HydrophobicContact CE2-CG 4.27Å; F55-W162 HydrophobicContact CZ-CB 3.67Å; F55-W162 AromaticContact CZ-CD1 3.47Å; F55-W162 VanDerWaalsContact CZ-CD1 3.47Å; F55-W162 AromaticContact CZ-CG 3.73Å; F55-W162 HydrophobicContact CZ-CG 3.73Å; V78-W162 VanDerWaalsContact O-CH2 3.28Å; V78-W162 WeakPolarHBondContact O-CH2 3.49Å; A79-W162 HydrophobicContact CB-CD2 3.98Å; A79-W162 HydrophobicContact CB-CE3 3.93Å; A79-W162 HydrophobicContact CB-CG 4.23Å; A79-W162 HydrophobicContact CB-CZ3 4.48Å; P82-W162 HydrophobicContact CG-CZ2 4.42Å; I85-W162 HydrophobicContact CD1-CH2 3.61Å; I85-W162 HydrophobicContact CD1-CZ2 3.96Å; I85-W162 HydrophobicContact CD1-CZ3 4.17Å; I85-W162 HydrophobicContact CG1-CH2 3.66Å; I85-W162 HydrophobicContact CG1-CZ2 4.4Å; I85-W162 HydrophobicContact CG1-CZ3 4.24Å; K158-W162 VanDerWaalsContact O-CB 3.25Å; K158-W162 WeakPolarHBondContact O-CB 3.05Å; K158-W162 PolarHBondContact O-N 3.44Å; F159-W162 HydrophobicContact CD2-CE3 4.16Å; F159-W162 HydrophobicContact CD2-CZ3 4.3Å; F159-W162 HydrophobicContact CE2-CE3 4.1Å; F159-W162 AromaticContact CE2-CZ3 3.82Å; F159-W162 HydrophobicContact CE2-CZ3 3.82Å; F159-W162 HydrophobicContact CZ-CZ3 4.49Å; F159-W162 PolarHBondContact O-N 2.96Å; V160-W162 VanDerWaalsContact C-N 3.35Å; V160-W162 PolarHBondContact O-N 3.15Å; W162-Q164 PolarHBondContact O-N 2.84Å; W162-K165 PolarHBondContact O-N 3.06Å; W162-E166 HydrophobicContact CD2-CG 4.2Å; W162-E166 HydrophobicContact CG-CG 4.3Å; W162-E166 HydrophobicContact CZ2-CG 4.09Å; W162-E166 PolarHBondContact NE1-OE1 3.32Å; W162-E166 WeakPolarHBondContact O-CG 3.36Å; W162-E166 PolarHBondContact O-N 3.21Å
163	L	94.8	Very high	95.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-39.7	-179.7	-174.2	66.8	0	0	0	111.4	I85 F90 I130 F159 V160 L167 L169	I85-L163 HydrophobicContact CD1-CD1 3.78Å; I85-L163 HydrophobicContact CG1-CD1 4.11Å; F90-L163 HydrophobicContact CE2-CD2 4Å; F90-L163 HydrophobicContact CZ-CD2 3.88Å; I130-L163 HydrophobicContact CD1-CD2 4.4Å; F159-L163 HydrophobicContact CE1-CD2 4.09Å; F159-L163 HydrophobicContact CZ-CD2 4.28Å; F159-L163 WeakPolarHBondContact O-CB 3.44Å; F159-L163 PolarHBondContact O-N 2.8Å; V160-L163 PolarHBondContact O-N 3.4Å; L163-L167 HydrophobicContact CD1-CD1 3.58Å; L163-L167 HydrophobicContact CD1-CG 4.34Å; L163-L167 HydrophobicContact CG-CD1 4.24Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 PolarHBondContact O-N 2.81Å; L163-L167 VanDerWaalsContact O-N 3.14Å; L163-L169 HydrophobicContact CD2-CD1 4.11Å; L163-L169 HydrophobicContact CG-CD1 3.9Å
164	Q	94.3	Very high	95.6	Very high	34 Å²	34	39.1 Å²	39.1	16%	0.159	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-43.5	175.1	-169.3	-79.6	-39.5	0	0	112	V160 W162 Q168 L169 W171	V160-Q164 WeakPolarHBondContact O-CB 3.37Å; V160-Q164 PolarHBondContact O-N 3.32Å; W162-Q164 PolarHBondContact O-N 2.84Å; Q164-Q168 CarbonylContact O-C 3.27Å; Q164-Q168 WeakPolarHBondContact O-CA 3.17Å; Q164-Q168 PolarHBondContact O-N 2.68Å; Q164-L169 HydrophobicContact CG-CB 4.44Å; Q164-L169 VanDerWaalsContact CG-O 3.31Å; Q164-L169 WeakPolarHBondContact CG-O 3.42Å; Q164-L169 PolarHBondContact NE2-O 2.89Å; Q164-L169 VanDerWaalsContact NE2-O 3.16Å; Q164-L169 PolarHBondContact O-N 2.9Å; Q164-W171 HydrophobicContact CB-CH2 4.21Å; Q164-W171 HydrophobicContact CB-CZ2 4.09Å; Q164-W171 HydrophobicContact CG-CD2 4.13Å; Q164-W171 HydrophobicContact CG-CH2 4.17Å; Q164-W171 HydrophobicContact CG-CZ2 3.61Å
165	K	93.1	Very high	95.6	Very high	97 Å²	97	35.8 Å²	35.8	42%	0.422	17%	0.167	S	C	.	.	H	α-helix	trans	-68.8	-43.6	179.3	-76.8	172.7	-178.3	165.2	0	112.5	T161 W162 D194	T161-K165 HydrophobicContact CG2-CD 4.03Å; T161-K165 VanDerWaalsContact CG2-NZ 3.34Å; T161-K165 WeakPolarHBondContact O-CB 3.27Å; T161-K165 VanDerWaalsContact O-CG 3.3Å; T161-K165 WeakPolarHBondContact O-CG 3.45Å; T161-K165 PolarHBondContact O-N 2.85Å; W162-K165 PolarHBondContact O-N 3.06Å; K165-D194 VanDerWaalsContact CE-OD2 3.22Å; K165-D194 WeakPolarHBondContact CE-OD2 3.22Å; K165-D194 IonicContact NZ-OD2 3.68Å; K165-D194 PolarHBondContact NZ-OD2 2.86Å
166	E	94.9	Very high	95.6	Very high	94 Å²	94	35.9 Å²	35.9	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-63.9	-41.8	179.7	-67.9	-59.3	154.6	0	0	112.3	I85 W162	I85-E166 HydrophobicContact CD1-CB 4.25Å; W162-E166 HydrophobicContact CD2-CG 4.2Å; W162-E166 HydrophobicContact CG-CG 4.3Å; W162-E166 HydrophobicContact CZ2-CG 4.09Å; W162-E166 PolarHBondContact NE1-OE1 3.32Å; W162-E166 WeakPolarHBondContact O-CG 3.36Å; W162-E166 PolarHBondContact O-N 3.21Å
167	L	94.4	Very high	95.7	Very high	55 Å²	55	36 Å²	36	29%	0.288	17%	0.168	S	C	.	.	H	α-helix	trans	-107	-1.2	-172.3	-59.7	178.8	0	0	0	114	I85 F90 P92 L163 L169	I85-L167 HydrophobicContact CD1-CD1 4.31Å; I85-L167 HydrophobicContact CD1-CD2 4.36Å; I85-L167 HydrophobicContact CD1-CG 4.23Å; I85-L167 HydrophobicContact CG2-CD1 3.84Å; I85-L167 HydrophobicContact CG2-CD2 4.24Å; I85-L167 HydrophobicContact CG2-CG 4.49Å; F90-L167 HydrophobicContact CD1-CD1 3.53Å; F90-L167 HydrophobicContact CE1-CD1 3.48Å; F90-L167 VanDerWaalsContact CE1-CD1 3.48Å; P92-L167 HydrophobicContact CB-CB 4.48Å; P92-L167 HydrophobicContact CB-CD1 4.38Å; L163-L167 HydrophobicContact CD1-CD1 3.58Å; L163-L167 HydrophobicContact CD1-CG 4.34Å; L163-L167 HydrophobicContact CG-CD1 4.24Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 PolarHBondContact O-N 2.81Å; L163-L167 VanDerWaalsContact O-N 3.14Å; L167-L169 HydrophobicContact CB-CD1 4.47Å; L167-L169 HydrophobicContact CB-CD2 3.86Å; L167-L169 HydrophobicContact CB-CG 3.81Å; L167-L169 HydrophobicContact CD1-CD1 4.34Å; L167-L169 HydrophobicContact CD1-CD2 4.35Å; L167-L169 HydrophobicContact CD1-CG 4.46Å; L167-L169 PolarHBondContact O-N 3.35Å
168	Q	93.3	Very high	95.7	Very high	167 Å²	167	36 Å²	36	78%	0.78	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.8	-173.2	-58.1	-177.3	31.5	0	0	113.1	Q164	Q164-Q168 CarbonylContact O-C 3.27Å; Q164-Q168 WeakPolarHBondContact O-CA 3.17Å; Q164-Q168 PolarHBondContact O-N 2.68Å
169	L	91.7	Very high	95.8	Very high	8 Å²	8	36 Å²	36	4%	0.042	17%	0.168	C	C	.	.			trans	-65.7	140.7	-177.4	-59.9	177.5	0	0	0	111.4	F90 P92 L163 Q164 L167 W171	F90-L169 HydrophobicContact CE1-CD1 3.97Å; F90-L169 HydrophobicContact CE1-CD2 4.29Å; F90-L169 HydrophobicContact CZ-CD1 3.9Å; P92-L169 HydrophobicContact CB-CD2 3.64Å; P92-L169 WeakPolarHBondContact O-CD2 3.4Å; L163-L169 HydrophobicContact CD2-CD1 4.11Å; L163-L169 HydrophobicContact CG-CD1 3.9Å; Q164-L169 HydrophobicContact CG-CB 4.44Å; Q164-L169 VanDerWaalsContact CG-O 3.31Å; Q164-L169 WeakPolarHBondContact CG-O 3.42Å; Q164-L169 PolarHBondContact NE2-O 2.89Å; Q164-L169 VanDerWaalsContact NE2-O 3.16Å; Q164-L169 PolarHBondContact O-N 2.9Å; L167-L169 HydrophobicContact CB-CD1 4.47Å; L167-L169 HydrophobicContact CB-CD2 3.86Å; L167-L169 HydrophobicContact CB-CG 3.81Å; L167-L169 HydrophobicContact CD1-CD1 4.34Å; L167-L169 HydrophobicContact CD1-CD2 4.35Å; L167-L169 HydrophobicContact CD1-CG 4.46Å; L167-L169 PolarHBondContact O-N 3.35Å; L169-W171 PolarHBondContact O-N 2.71Å
170	P	94.4	Very high	95.8	Very high	47 Å²	47	36.5 Å²	36.5	31%	0.305	17%	0.171	S	C	.	.			trans	-66.2	129.8	166.7	-19	30.9	0	0	0	111.1	E172 R173	P170-E172 WeakPolarHBondContact CB-OE2 3.41Å; P170-E172 PolarHBondContact O-N 3.31Å; P170-E172 VanDerWaalsContact O-N 3.1Å; P170-R173 HydrophobicContact CB-CG 4.29Å; P170-R173 HydrophobicContact CG-CG 4.44Å; P170-R173 WeakPolarHBondContact O-CB 3.22Å; P170-R173 PolarHBondContact O-N 3.39Å
171	W	94.5	Very high	95.9	Very high	20 Å²	20	36.3 Å²	36.3	8%	0.076	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58.6	-24.7	176.2	-66.8	97.4	0	0	0	112.6	V160 Q164 L169 R173 I174 T193 D194 H195 I197 S198	V160-W171 HydrophobicContact CG1-CZ3 3.82Å; Q164-W171 HydrophobicContact CB-CH2 4.21Å; Q164-W171 HydrophobicContact CB-CZ2 4.09Å; Q164-W171 HydrophobicContact CG-CD2 4.13Å; Q164-W171 HydrophobicContact CG-CH2 4.17Å; Q164-W171 HydrophobicContact CG-CZ2 3.61Å; L169-W171 PolarHBondContact O-N 2.71Å; W171-R173 PolarHBondContact O-N 3.28Å; W171-I174 HydrophobicContact CE3-CD1 4.17Å; W171-I174 PolarHBondContact O-N 2.93Å; W171-T193 HydrophobicContact CH2-CG2 4.23Å; W171-T193 HydrophobicContact CZ3-CG2 3.81Å; W171-D194 HydrophobicContact CZ2-CB 4.19Å; W171-H195 HydrophobicContact CD2-CB 3.79Å; W171-H195 AromaticContact CE2-CD2 3.74Å; W171-H195 HydrophobicContact CE3-CB 4.49Å; W171-H195 HydrophobicContact CG-CB 3.84Å; W171-H195 HydrophobicContact CZ2-CB 4.27Å; W171-H195 AromaticContact NE1-CD2 3.28Å; W171-H195 PolarHBondContact NE1-CD2 3.1Å; W171-H195 VanDerWaalsContact NE1-CD2 3.28Å; W171-H195 AromaticContact NE1-CG 3.68Å; W171-I197 HydrophobicContact CE3-CG2 3.68Å; W171-I197 HydrophobicContact CZ3-CG2 3.98Å; W171-S198 PolarHBondContact O-N 3.35Å
172	E	93.9	Very high	96	Very high	105 Å²	105	36.2 Å²	36.2	49%	0.491	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-66.3	-17.1	176.6	-65	70	-151	0	0	113.5	P170 S198 Q225	P170-E172 WeakPolarHBondContact CB-OE2 3.41Å; P170-E172 PolarHBondContact O-N 3.31Å; P170-E172 VanDerWaalsContact O-N 3.1Å; E172-S198 VanDerWaalsContact C-CB 3.46Å; E172-S198 WeakPolarHBondContact O-CB 3.36Å; E172-S198 PolarHBondContact O-OG 3.12Å; E172-Q225 PolarHBondContact OE1-NE2 3.43Å
173	R	94.8	Very high	96.2	Very high	96 Å²	96	35.9 Å²	35.9	36%	0.362	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-90.8	-8.7	179.2	-67.9	-173.4	-178	160.3	-1.6	114	P92 E93 Q95 T96 P170 W171	P92-R173 PolarHBondContact O-NH1 3.18Å; E93-R173 VanDerWaalsContact O-CZ 3.25Å; E93-R173 PolarHBondContact O-NH1 2.67Å; Q95-R173 WeakPolarHBondContact CG-O 3.29Å; T96-R173 PolarHBondContact N-O 2.88Å; P170-R173 HydrophobicContact CB-CG 4.29Å; P170-R173 HydrophobicContact CG-CG 4.44Å; P170-R173 WeakPolarHBondContact O-CB 3.22Å; P170-R173 PolarHBondContact O-N 3.39Å; W171-R173 PolarHBondContact O-N 3.28Å
174	I	97.8	Very high	96.4	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.2	-176.6	-62.6	158.7	0	0	0	110.1	I98 V160 W171 L176 I197 S198 R199	I98-I174 HydrophobicContact CD1-CG2 4.4Å; V160-I174 HydrophobicContact CG1-CD1 3.79Å; V160-I174 HydrophobicContact CG1-CG2 4.48Å; W171-I174 HydrophobicContact CE3-CD1 4.17Å; W171-I174 PolarHBondContact O-N 2.93Å; I174-L176 HydrophobicContact CG2-CD2 4.03Å; I174-I197 HydrophobicContact CB-CB 4.48Å; I174-I197 HydrophobicContact CB-CG2 4.17Å; I174-I197 HydrophobicContact CG2-CB 4.37Å; I174-I197 HydrophobicContact CG2-CG2 3.91Å; I174-S198 WeakPolarHBondContact O-CB 3.48Å; I174-S198 PolarHBondContact O-N 2.68Å; I174-R199 PolarHBondContact O-N 2.6Å
175	H	98.6	Very high	96.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113	175.3	-176.9	179.6	0	0	0	110	T96 F97 I98 R199 T201	T96-H175 PolarHBondContact O-N 2.9Å; F97-H175 WeakPolarHBondContact CA-O 3.22Å; F97-H175 HydrophobicContact CD1-CB 3.84Å; F97-H175 AromaticContact CD1-ND1 3.9Å; F97-H175 HydrophobicContact CE1-CB 4.08Å; F97-H175 AromaticContact CE1-ND1 3.57Å; I98-H175 PolarHBondContact N-O 3Å; H175-R199 WeakPolarHBondContact CA-O 3.35Å; H175-R199 HydrophobicContact CB-CB 4.43Å; H175-R199 PolarHBondContact CD2-O 3.22Å; H175-R199 VanDerWaalsContact CD2-O 3.31Å; H175-R199 VanDerWaalsContact CE1-CD 3.47Å; H175-R199 WeakPolarHBondContact CE1-CD 3.19Å; H175-T201 PolarHBondContact NE2-OG1 3.4Å
176	L	98.9	Very high	96.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.9	174.1	-49.5	-175.7	0	0	0	110.5	I98 I174 A186 A189 I197 R199 I200 T201	I98-L176 HydrophobicContact CB-CD2 3.56Å; I98-L176 HydrophobicContact CD1-CD2 3.71Å; I98-L176 HydrophobicContact CG1-CD2 3.93Å; I98-L176 HydrophobicContact CG2-CD2 4.14Å; I98-L176 WeakPolarHBondContact O-CA 3.44Å; I174-L176 HydrophobicContact CG2-CD2 4.03Å; L176-A186 HydrophobicContact CB-CB 3.89Å; L176-A186 HydrophobicContact CD1-CB 4.04Å; L176-A186 WeakPolarHBondContact CD1-O 3.42Å; L176-A189 HydrophobicContact CD1-CB 4.19Å; L176-I197 HydrophobicContact CB-CD1 4.39Å; L176-I197 HydrophobicContact CD1-CD1 3.39Å; L176-I197 HydrophobicContact CD2-CD1 4.48Å; L176-I197 HydrophobicContact CG-CD1 3.46Å; L176-I197 VanDerWaalsContact CG-CD1 3.46Å; L176-R199 PolarHBondContact N-O 3.04Å; L176-I200 HydrophobicContact CB-CG1 4.18Å; L176-I200 HydrophobicContact CD1-CG1 4.29Å; L176-I200 HydrophobicContact CG-CG1 4.44Å; L176-I200 CarbonylContact O-C 3.52Å; L176-I200 WeakPolarHBondContact O-CA 3.35Å; L176-T201 PolarHBondContact O-N 3.34Å
177	L	98.9	Very high	97	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.2	173.3	-56	105	0	0	0	108.4	F97 I98 V99 I100 L120 F299	F97-L177 HydrophobicContact CB-CD1 3.86Å; F97-L177 HydrophobicContact CD1-CD1 3.81Å; F97-L177 HydrophobicContact CG-CD1 4.24Å; I98-L177 PolarHBondContact O-N 3.1Å; V99-L177 WeakPolarHBondContact CA-O 3.5Å; V99-L177 HydrophobicContact CG2-CD1 4.28Å; I100-L177 PolarHBondContact N-O 3.46Å; L120-L177 HydrophobicContact CD1-CD1 4.4Å; L177-F299 HydrophobicContact CD2-CD1 3.96Å; L177-F299 HydrophobicContact CD2-CE1 3.25Å; L177-F299 HydrophobicContact CD2-CE2 4.31Å; L177-F299 HydrophobicContact CD2-CZ 3.46Å; L177-F299 VanDerWaalsContact CD2-CZ 3.46Å
178	G	98.9	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.5	-178	0	0	0	0	0	111.6	G182 A183 T201 L203	G178-G182 VanDerWaalsContact CA-C 3.46Å; G178-G182 WeakPolarHBondContact CA-O 3.45Å; G178-A183 WeakPolarHBondContact O-CB 3.44Å; G178-T201 PolarHBondContact N-O 2.79Å; G178-L203 PolarHBondContact O-N 2.86Å
179	Y	98.8	Very high	97.5	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.016	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.6	175.3	168	-116.5	0	0	0	111.4	I100 G102 E110 W112 L181 G182 L203 H292 E293 I296	I100-Y179 PolarHBondContact O-N 2.78Å; G102-Y179 VanDerWaalsContact CA-O 3.31Å; G102-Y179 WeakPolarHBondContact CA-O 3.13Å; G102-Y179 PolarHBondContact N-O 3.26Å; E110-Y179 WeakPolarHBondContact OE2-CE1 3.44Å; W112-Y179 AromaticContact CE2-CD1 3.83Å; W112-Y179 HydrophobicContact CH2-CD1 4.49Å; W112-Y179 AromaticContact CZ2-CD1 3.6Å; W112-Y179 HydrophobicContact CZ2-CD1 3.6Å; W112-Y179 HydrophobicContact CZ2-CE1 4.41Å; W112-Y179 HydrophobicContact CZ2-CG 4.15Å; W112-Y179 AromaticContact NE1-CD1 3.8Å; W112-Y179 AromaticContact NE1-CE1 3.75Å; Y179-L181 PolarHBondContact O-N 2.77Å; Y179-G182 WeakPolarHBondContact O-CA 3.17Å; Y179-G182 PolarHBondContact O-N 2.77Å; Y179-L203 WeakPolarHBondContact CA-O 3.36Å; Y179-L203 HydrophobicContact CD2-CB 4.22Å; Y179-L203 VanDerWaalsContact CD2-O 3.27Å; Y179-L203 WeakPolarHBondContact CD2-O 3.04Å; Y179-H292 AromaticContact CE2-CD2 3.87Å; Y179-H292 AromaticContact CZ-CD2 3.55Å; Y179-H292 AromaticContact CZ-NE2 3.96Å; Y179-H292 PolarHBondContact OH-CD2 3.22Å; Y179-E293 WeakPolarHBondContact OH-CG 3.34Å; Y179-I296 HydrophobicContact CD1-CD1 3.84Å; Y179-I296 HydrophobicContact CD2-CD1 3.4Å; Y179-I296 HydrophobicContact CD2-CG1 3.77Å; Y179-I296 HydrophobicContact CE1-CD1 4.02Å; Y179-I296 HydrophobicContact CE2-CD1 3.64Å; Y179-I296 HydrophobicContact CE2-CG1 4.31Å; Y179-I296 HydrophobicContact CG-CD1 3.5Å; Y179-I296 HydrophobicContact CG-CG1 4.06Å
180	S	97.7	Very high	97.8	Very high	9 Å²	9	14.4 Å²	14.4	6%	0.063	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-121.7	176.6	-170.8	0	0	0	0	111.6	G182 A183 L203 D204 A206 H292	S180-G182 PolarHBondContact O-N 3.23Å; S180-A183 WeakPolarHBondContact O-CB 3.36Å; S180-A183 PolarHBondContact O-N 3.48Å; S180-A183 VanDerWaalsContact O-N 3.13Å; S180-L203 PolarHBondContact N-O 2.85Å; S180-D204 WeakPolarHBondContact CA-O 3.33Å; S180-A206 PolarHBondContact O-N 3.3Å; S180-H292 WeakPolarHBondContact CB-NE2 3.36Å; S180-H292 PolarHBondContact OG-NE2 2.99Å
181	L	98.5	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.7	-32	171.7	-69.4	-174.4	0	0	0	113.3	W103 W134 Y142 A146 T149 Y179 A183 H184 V185 A206 F210	W103-L181 HydrophobicContact CB-CD1 3.73Å; W103-L181 HydrophobicContact CB-CG 4.21Å; W103-L181 HydrophobicContact CG-CD1 4.4Å; W134-L181 HydrophobicContact CH2-CB 3.77Å; W134-L181 HydrophobicContact CH2-CD1 3.86Å; W134-L181 HydrophobicContact CH2-CG 4.48Å; W134-L181 HydrophobicContact CZ2-CB 4Å; Y142-L181 HydrophobicContact CE2-CD2 4.2Å; A146-L181 HydrophobicContact CB-CD2 4.09Å; T149-L181 HydrophobicContact CG2-CB 4Å; T149-L181 HydrophobicContact CG2-CD2 4.17Å; T149-L181 HydrophobicContact CG2-CG 4.49Å; Y179-L181 PolarHBondContact O-N 2.77Å; L181-A183 PolarHBondContact O-N 2.94Å; L181-H184 PolarHBondContact O-N 3.15Å; L181-H184 VanDerWaalsContact O-N 3.12Å; L181-V185 PolarHBondContact O-N 3.09Å; L181-V185 VanDerWaalsContact O-N 3.14Å; L181-A206 HydrophobicContact CD2-CB 3.77Å; L181-A206 HydrophobicContact CG-CB 4.42Å; L181-F210 HydrophobicContact CD2-CD2 4.44Å; L181-F210 HydrophobicContact CD2-CE2 3.45Å; L181-F210 VanDerWaalsContact CD2-CE2 3.45Å; L181-F210 HydrophobicContact CD2-CZ 3.99Å
182	G	98.8	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-24.2	177.7	0	0	0	0	0	113.6	H101 G178 Y179 S180 V185 A186	H101-G182 VanDerWaalsContact O-CA 3.29Å; H101-G182 WeakPolarHBondContact O-CA 3.3Å; H101-G182 PolarHBondContact O-N 3.42Å; G178-G182 VanDerWaalsContact CA-C 3.46Å; G178-G182 WeakPolarHBondContact CA-O 3.45Å; Y179-G182 WeakPolarHBondContact O-CA 3.17Å; Y179-G182 PolarHBondContact O-N 2.77Å; S180-G182 PolarHBondContact O-N 3.23Å; G182-V185 WeakPolarHBondContact O-CB 3.35Å; G182-V185 PolarHBondContact O-N 3.01Å; G182-A186 WeakPolarHBondContact O-CB 3.39Å; G182-A186 PolarHBondContact O-N 3.4Å
183	A	98.8	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66	-39.2	173.3	0	0	0	0	0	111.7	G178 S180 L181 A186 G187 P205 L219	G178-A183 WeakPolarHBondContact O-CB 3.44Å; S180-A183 WeakPolarHBondContact O-CB 3.36Å; S180-A183 PolarHBondContact O-N 3.48Å; S180-A183 VanDerWaalsContact O-N 3.13Å; L181-A183 PolarHBondContact O-N 2.94Å; A183-A186 PolarHBondContact O-N 3.16Å; A183-G187 PolarHBondContact O-N 3.49Å; A183-P205 HydrophobicContact CB-CB 3.64Å; A183-P205 HydrophobicContact CB-CG 3.73Å; A183-L219 HydrophobicContact CB-CD2 4.3Å
184	H	98.8	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-72.5	-37.8	175.3	-58.2	-59.7	0	0	0	111.6	L181 A186 G187 I188 A206 F210 T218 L219	L181-H184 PolarHBondContact O-N 3.15Å; L181-H184 VanDerWaalsContact O-N 3.12Å; H184-A186 VanDerWaalsContact C-N 3.3Å; H184-A186 PolarHBondContact O-N 2.86Å; H184-G187 PolarHBondContact O-N 3.27Å; H184-I188 WeakPolarHBondContact O-CB 3.45Å; H184-I188 WeakPolarHBondContact O-CD1 3.43Å; H184-I188 VanDerWaalsContact O-CG1 3.27Å; H184-I188 WeakPolarHBondContact O-CG1 3.2Å; H184-I188 PolarHBondContact O-N 3.2Å; H184-A206 PolarHBondContact NE2-N 3.28Å; H184-A206 PolarHBondContact NE2-O 2.85Å; H184-F210 HydrophobicContact CB-CD1 4.21Å; H184-F210 HydrophobicContact CB-CE1 3.83Å; H184-F210 HydrophobicContact CB-CZ 4.25Å; H184-F210 AromaticContact CD2-CD1 3.7Å; H184-F210 AromaticContact CD2-CD2 3.58Å; H184-F210 AromaticContact CD2-CE1 3.81Å; H184-F210 AromaticContact CD2-CE2 3.73Å; H184-F210 AromaticContact CD2-CG 3.58Å; H184-F210 AromaticContact CD2-CZ 3.83Å; H184-F210 AromaticContact CE1-CD1 3.92Å; H184-F210 AromaticContact CE1-CG 3.71Å; H184-F210 AromaticContact CG-CD1 3.61Å; H184-F210 AromaticContact CG-CE1 3.67Å; H184-F210 AromaticContact CG-CG 3.95Å; H184-F210 AromaticContact ND1-CD1 3.75Å; H184-F210 AromaticContact NE2-CD1 3.93Å; H184-F210 AromaticContact NE2-CD2 3.63Å; H184-F210 AromaticContact NE2-CG 3.46Å; H184-F210 WeakPolarHBondContact NE2-CG 3.23Å; H184-T218 PolarHBondContact CE1-OG1 2.89Å; H184-T218 PolarHBondContact ND1-OG1 3.08Å; H184-L219 PolarHBondContact ND1-N 2.92Å; H184-L219 VanDerWaalsContact ND1-N 3.18Å
185	V	98.8	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55.3	-46.9	170	171.7	0	0	0	0	110.9	I100 T149 V152 V156 L181 G182 G187 A189	I100-V185 HydrophobicContact CD1-CG1 4.03Å; I100-V185 HydrophobicContact CG2-CB 3.96Å; I100-V185 HydrophobicContact CG2-CG1 3.73Å; T149-V185 HydrophobicContact CG2-CG2 3.94Å; V152-V185 HydrophobicContact CB-CG1 4.12Å; V152-V185 HydrophobicContact CB-CG2 4.04Å; V152-V185 HydrophobicContact CG1-CB 4.48Å; V152-V185 HydrophobicContact CG1-CG1 3.55Å; V152-V185 HydrophobicContact CG1-CG2 4.05Å; V156-V185 HydrophobicContact CG2-CG1 4.06Å; L181-V185 PolarHBondContact O-N 3.09Å; L181-V185 VanDerWaalsContact O-N 3.14Å; G182-V185 WeakPolarHBondContact O-CB 3.35Å; G182-V185 PolarHBondContact O-N 3.01Å; V185-G187 VanDerWaalsContact C-N 3.35Å; V185-G187 PolarHBondContact O-N 2.71Å; V185-A189 VanDerWaalsContact O-CB 3.25Å; V185-A189 WeakPolarHBondContact O-CB 3.32Å; V185-A189 PolarHBondContact O-N 2.76Å
186	A	98.8	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-40.3	177.9	0	0	0	0	0	112.5	I100 L176 G182 A183 H184 A189 G190 I200	I100-A186 HydrophobicContact CD1-CB 3.81Å; L176-A186 HydrophobicContact CB-CB 3.89Å; L176-A186 HydrophobicContact CD1-CB 4.04Å; L176-A186 WeakPolarHBondContact CD1-O 3.42Å; G182-A186 WeakPolarHBondContact O-CB 3.39Å; G182-A186 PolarHBondContact O-N 3.4Å; A183-A186 PolarHBondContact O-N 3.16Å; H184-A186 VanDerWaalsContact C-N 3.3Å; H184-A186 PolarHBondContact O-N 2.86Å; A186-A189 PolarHBondContact O-N 3.43Å; A186-G190 PolarHBondContact O-N 2.87Å; A186-I200 HydrophobicContact CB-CG2 3.84Å; A186-I200 WeakPolarHBondContact O-CD1 3.32Å
187	G	98.6	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-54.2	175.4	0	0	0	0	0	112.7	A183 H184 V185 A189 G190 D191 D223	A183-G187 PolarHBondContact O-N 3.49Å; H184-G187 PolarHBondContact O-N 3.27Å; V185-G187 VanDerWaalsContact C-N 3.35Å; V185-G187 PolarHBondContact O-N 2.71Å; G187-A189 VanDerWaalsContact C-N 3.26Å; G187-A189 PolarHBondContact O-N 3.47Å; G187-G190 PolarHBondContact O-N 3.35Å; G187-G190 VanDerWaalsContact O-N 3.14Å; G187-D191 PolarHBondContact O-N 2.99Å; G187-D223 WeakPolarHBondContact CA-OD2 3.21Å; G187-D223 WeakPolarHBondContact O-CB 3.25Å; G187-D223 VanDerWaalsContact O-CG 3.3Å
188	I	98.5	Very high	96.9	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-58.1	-41.5	177.3	-64.7	161.6	0	0	0	110.6	K150 H184 D191 L192	K150-I188 HydrophobicContact CG-CD1 4.07Å; H184-I188 WeakPolarHBondContact O-CB 3.45Å; H184-I188 WeakPolarHBondContact O-CD1 3.43Å; H184-I188 VanDerWaalsContact O-CG1 3.27Å; H184-I188 WeakPolarHBondContact O-CG1 3.2Å; H184-I188 PolarHBondContact O-N 3.2Å; I188-D191 PolarHBondContact O-N 3.46Å; I188-L192 HydrophobicContact CG2-CD1 3.87Å; I188-L192 HydrophobicContact CG2-CG 4.48Å; I188-L192 VanDerWaalsContact O-CG 3.31Å; I188-L192 WeakPolarHBondContact O-CG 3.49Å; I188-L192 PolarHBondContact O-N 3.07Å; I188-L192 VanDerWaalsContact O-N 3.11Å
189	A	98.4	Very high	96.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-47.2	177.1	0	0	0	0	0	112.2	G153 V156 A157 L176 V185 A186 G187 D191 L192 T193	G153-A189 WeakPolarHBondContact O-CA 3.45Å; G153-A189 WeakPolarHBondContact O-CB 3.31Å; V156-A189 HydrophobicContact CB-CB 3.83Å; V156-A189 HydrophobicContact CG1-CB 3.67Å; A157-A189 HydrophobicContact CB-CB 4.46Å; L176-A189 HydrophobicContact CD1-CB 4.19Å; V185-A189 VanDerWaalsContact O-CB 3.25Å; V185-A189 WeakPolarHBondContact O-CB 3.32Å; V185-A189 PolarHBondContact O-N 2.76Å; A186-A189 PolarHBondContact O-N 3.43Å; G187-A189 VanDerWaalsContact C-N 3.26Å; G187-A189 PolarHBondContact O-N 3.47Å; A189-D191 VanDerWaalsContact C-N 3.28Å; A189-D191 PolarHBondContact O-N 2.83Å; A189-L192 PolarHBondContact O-N 3.1Å; A189-T193 WeakPolarHBondContact O-CG2 3.3Å; A189-T193 PolarHBondContact O-N 3.01Å; A189-T193 VanDerWaalsContact O-N 3.12Å
190	G	97.8	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-24	178.6	0	0	0	0	0	114.3	A186 G187 T193 K196 D223	A186-G190 PolarHBondContact O-N 2.87Å; G187-G190 PolarHBondContact O-N 3.35Å; G187-G190 VanDerWaalsContact O-N 3.14Å; G190-T193 PolarHBondContact O-OG1 3.17Å; G190-K196 PolarHBondContact O-NZ 3.09Å; G190-D223 CarbonylContact C-O 3.53Å; G190-D223 VanDerWaalsContact CA-O 3.25Å; G190-D223 WeakPolarHBondContact CA-O 3.41Å
191	D	96.8	Very high	96.9	Very high	70 Å²	70	20.6 Å²	20.6	37%	0.374	10%	0.103	S	C	.	.	H	α-helix	trans	-74.3	-36.4	171.2	-163.2	51.6	0	0	0	113	G187 I188 A189 K196	G187-D191 PolarHBondContact O-N 2.99Å; I188-D191 PolarHBondContact O-N 3.46Å; A189-D191 VanDerWaalsContact C-N 3.28Å; A189-D191 PolarHBondContact O-N 2.83Å; D191-K196 IonicContact OD1-NZ 3.92Å; D191-K196 PolarHBondContact OD1-NZ 2.79Å; D191-K196 VanDerWaalsContact OD1-NZ 3.12Å
192	L	96.3	Very high	96.9	Very high	61 Å²	61	20.6 Å²	20.6	32%	0.319	10%	0.103	S	C	.	.	H	α-helix	trans	-83.7	-13.8	-177.9	-68.1	175.5	0	0	0	114.7	W51 R154 A157 I188 A189	W51-L192 HydrophobicContact CH2-CB 4.49Å; R154-L192 HydrophobicContact CB-CD1 4.14Å; R154-L192 HydrophobicContact CG-CD1 4.47Å; A157-L192 HydrophobicContact CB-CB 3.61Å; A157-L192 HydrophobicContact CB-CD1 4.48Å; I188-L192 HydrophobicContact CG2-CD1 3.87Å; I188-L192 HydrophobicContact CG2-CG 4.48Å; I188-L192 VanDerWaalsContact O-CG 3.31Å; I188-L192 WeakPolarHBondContact O-CG 3.49Å; I188-L192 PolarHBondContact O-N 3.07Å; I188-L192 VanDerWaalsContact O-N 3.11Å; A189-L192 PolarHBondContact O-N 3.1Å
193	T	94.2	Very high	96.9	Very high	13 Å²	13	20.6 Å²	20.6	8%	0.08	10%	0.103	C	C	.	.	S	Bend	trans	-69.9	145.9	176.2	44.8	0	0	0	0	112.6	A157 V160 W171 A189 G190 H195	A157-T193 HydrophobicContact CB-CG2 4.37Å; V160-T193 HydrophobicContact CB-CG2 4.32Å; V160-T193 HydrophobicContact CG1-CG2 4.08Å; W171-T193 HydrophobicContact CH2-CG2 4.23Å; W171-T193 HydrophobicContact CZ3-CG2 3.81Å; A189-T193 WeakPolarHBondContact O-CG2 3.3Å; A189-T193 PolarHBondContact O-N 3.01Å; A189-T193 VanDerWaalsContact O-N 3.12Å; G190-T193 PolarHBondContact O-OG1 3.17Å; T193-H195 PolarHBondContact O-N 3.29Å; T193-H195 VanDerWaalsContact O-N 3.1Å; T193-H195 PolarHBondContact OG1-O 2.99Å
194	D	86.3	Confident	96.9	Very high	67 Å²	67	20.6 Å²	20.6	36%	0.358	10%	0.103	S	C	.	.	S	Bend	trans	-53.8	-33	-179.8	-76.8	-31.3	0	0	0	113.4	M52 T161 K165 W171	M52-D194 WeakPolarHBondContact CE-OD1 3.39Å; T161-D194 VanDerWaalsContact CG2-OD2 3.29Å; T161-D194 WeakPolarHBondContact CG2-OD2 3.27Å; K165-D194 VanDerWaalsContact CE-OD2 3.22Å; K165-D194 WeakPolarHBondContact CE-OD2 3.22Å; K165-D194 IonicContact NZ-OD2 3.68Å; K165-D194 PolarHBondContact NZ-OD2 2.86Å; W171-D194 HydrophobicContact CZ2-CB 4.19Å
195	H	92.3	Very high	96.9	Very high	117 Å²	117	20.6 Å²	20.6	54%	0.542	10%	0.103	S	C	.	.	S	Bend	trans	-134.6	157.1	174.3	-62.4	-85.3	0	0	0	111.1	W171 T193 I197	W171-H195 HydrophobicContact CD2-CB 3.79Å; W171-H195 AromaticContact CE2-CD2 3.74Å; W171-H195 HydrophobicContact CE3-CB 4.49Å; W171-H195 HydrophobicContact CG-CB 3.84Å; W171-H195 HydrophobicContact CZ2-CB 4.27Å; W171-H195 AromaticContact NE1-CD2 3.28Å; W171-H195 PolarHBondContact NE1-CD2 3.1Å; W171-H195 VanDerWaalsContact NE1-CD2 3.28Å; W171-H195 AromaticContact NE1-CG 3.68Å; T193-H195 PolarHBondContact O-N 3.29Å; T193-H195 VanDerWaalsContact O-N 3.1Å; T193-H195 PolarHBondContact OG1-O 2.99Å; H195-I197 PolarHBondContact O-N 2.89Å; H195-I197 VanDerWaalsContact O-N 3.17Å
196	K	94.1	Very high	96.8	Very high	73 Å²	73	20.7 Å²	20.7	32%	0.317	10%	0.103	S	C	.	.			trans	-68.7	116.5	176.8	-64.6	-64.1	173.3	-176.1	0	110.4	G190 D191 G222 Q225	G190-K196 PolarHBondContact O-NZ 3.09Å; D191-K196 IonicContact OD1-NZ 3.92Å; D191-K196 PolarHBondContact OD1-NZ 2.79Å; D191-K196 VanDerWaalsContact OD1-NZ 3.12Å; K196-G222 WeakPolarHBondContact CD-O 3.42Å; K196-G222 WeakPolarHBondContact CE-O 3.43Å; K196-G222 PolarHBondContact NZ-O 2.83Å; K196-Q225 HydrophobicContact CB-CG 4.02Å; K196-Q225 WeakPolarHBondContact O-CG 3.32Å; K196-Q225 PolarHBondContact O-NE2 3.23Å; K196-Q225 VanDerWaalsContact O-NE2 3.09Å
197	I	96.3	Very high	96.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.103	C	C	.	.			trans	-56.9	157	168.9	52.1	163.4	0	0	0	112	V160 W171 I174 L176 H195 R199 I200 A224 Q225	V160-I197 HydrophobicContact CG1-CG2 4.46Å; W171-I197 HydrophobicContact CE3-CG2 3.68Å; W171-I197 HydrophobicContact CZ3-CG2 3.98Å; I174-I197 HydrophobicContact CB-CB 4.48Å; I174-I197 HydrophobicContact CB-CG2 4.17Å; I174-I197 HydrophobicContact CG2-CB 4.37Å; I174-I197 HydrophobicContact CG2-CG2 3.91Å; L176-I197 HydrophobicContact CB-CD1 4.39Å; L176-I197 HydrophobicContact CD1-CD1 3.39Å; L176-I197 HydrophobicContact CD2-CD1 4.48Å; L176-I197 HydrophobicContact CG-CD1 3.46Å; L176-I197 VanDerWaalsContact CG-CD1 3.46Å; H195-I197 PolarHBondContact O-N 2.89Å; H195-I197 VanDerWaalsContact O-N 3.17Å; I197-R199 PolarHBondContact O-N 2.94Å; I197-I200 HydrophobicContact CD1-CD1 3.92Å; I197-I200 HydrophobicContact CD1-CG1 3.51Å; I197-I200 HydrophobicContact CG1-CG1 4.44Å; I197-A224 HydrophobicContact CD1-CB 4.28Å; I197-A224 HydrophobicContact CG1-CB 3.81Å; I197-A224 WeakPolarHBondContact O-CB 3.49Å; I197-Q225 WeakPolarHBondContact O-CG 3.26Å; I197-Q225 PolarHBondContact O-N 2.76Å
198	S	97.1	Very high	96.1	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.063	11%	0.114	C	C	.	.	S	Bend	trans	-56.9	-49.3	-175.6	-161.9	0	0	0	0	113.8	W171 E172 I174 F226 K343	W171-S198 PolarHBondContact O-N 3.35Å; E172-S198 VanDerWaalsContact C-CB 3.46Å; E172-S198 WeakPolarHBondContact O-CB 3.36Å; E172-S198 PolarHBondContact O-OG 3.12Å; I174-S198 WeakPolarHBondContact O-CB 3.48Å; I174-S198 PolarHBondContact O-N 2.68Å; S198-F226 PolarHBondContact O-N 3.43Å; S198-K343 PolarHBondContact OG-NZ 2.76Å
199	R	98.5	Very high	95.7	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.038	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	138.6	-169.6	-172.3	172.9	174.7	-173.3	-1.7	112.5	I174 H175 L176 I197 T201 F226 D228 G338 Y339	I174-R199 PolarHBondContact O-N 2.6Å; H175-R199 WeakPolarHBondContact CA-O 3.35Å; H175-R199 HydrophobicContact CB-CB 4.43Å; H175-R199 PolarHBondContact CD2-O 3.22Å; H175-R199 VanDerWaalsContact CD2-O 3.31Å; H175-R199 VanDerWaalsContact CE1-CD 3.47Å; H175-R199 WeakPolarHBondContact CE1-CD 3.19Å; L176-R199 PolarHBondContact N-O 3.04Å; I197-R199 PolarHBondContact O-N 2.94Å; R199-T201 PolarHBondContact NE-OG1 2.9Å; R199-F226 CarbonylContact C-O 3.59Å; R199-F226 VanDerWaalsContact CA-O 3.23Å; R199-F226 WeakPolarHBondContact CA-O 3.14Å; R199-F226 HydrophobicContact CG-CD1 4.2Å; R199-D228 IonicContact CZ-OD1 2.7Å; R199-D228 IonicContact CZ-OD2 2.8Å; R199-D228 IonicContact NE-OD1 2.68Å; R199-D228 PolarHBondContact NE-OD1 3.14Å; R199-D228 IonicContact NE-OD2 3.63Å; R199-D228 VanDerWaalsContact NH2-CG 3.27Å; R199-D228 IonicContact NH2-OD1 3.67Å; R199-D228 PolarHBondContact NH2-OD1 2.96Å; R199-D228 IonicContact NH2-OD2 3.22Å; R199-D228 PolarHBondContact NH2-OD2 2.61Å; R199-G338 PolarHBondContact NH2-O 3.3Å; R199-Y339 PolarHBondContact NH1-O 3.25Å
200	I	98.9	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.4	161.1	-62.9	163	0	0	0	108.1	L176 A186 I197 L219 D223 A224 F226 V227 D228	L176-I200 HydrophobicContact CB-CG1 4.18Å; L176-I200 HydrophobicContact CD1-CG1 4.29Å; L176-I200 HydrophobicContact CG-CG1 4.44Å; L176-I200 CarbonylContact O-C 3.52Å; L176-I200 WeakPolarHBondContact O-CA 3.35Å; A186-I200 HydrophobicContact CB-CG2 3.84Å; A186-I200 WeakPolarHBondContact O-CD1 3.32Å; I197-I200 HydrophobicContact CD1-CD1 3.92Å; I197-I200 HydrophobicContact CD1-CG1 3.51Å; I197-I200 HydrophobicContact CG1-CG1 4.44Å; I200-L219 HydrophobicContact CB-CD1 4.49Å; I200-L219 HydrophobicContact CD1-CD1 4.32Å; I200-L219 HydrophobicContact CG2-CD1 3.75Å; I200-D223 HydrophobicContact CD1-CB 3.58Å; I200-A224 HydrophobicContact CB-CB 4.34Å; I200-A224 HydrophobicContact CD1-CB 3.74Å; I200-A224 HydrophobicContact CG1-CB 3.76Å; I200-F226 PolarHBondContact N-O 3.33Å; I200-V227 HydrophobicContact CB-CG1 4.44Å; I200-V227 HydrophobicContact CB-CG2 4.31Å; I200-V227 VanDerWaalsContact O-CA 3.32Å; I200-V227 WeakPolarHBondContact O-CA 3.37Å; I200-D228 PolarHBondContact O-N 3.27Å; I200-D228 VanDerWaalsContact O-N 3.09Å
201	T	98.9	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.9	167	-60	0	0	0	0	109.7	H175 L176 G178 R199 L203 D228 F299	H175-T201 PolarHBondContact NE2-OG1 3.4Å; L176-T201 PolarHBondContact O-N 3.34Å; G178-T201 PolarHBondContact N-O 2.79Å; R199-T201 PolarHBondContact NE-OG1 2.9Å; T201-L203 HydrophobicContact CG2-CD2 3.84Å; T201-L203 HydrophobicContact CG2-CG 4.34Å; T201-D228 CarbonylContact C-O 3.3Å; T201-D228 VanDerWaalsContact CA-O 3.26Å; T201-D228 WeakPolarHBondContact CA-O 3.32Å; T201-D228 PolarHBondContact OG1-OD1 3.4Å; T201-D228 PolarHBondContact OG1-OD2 3.48Å; T201-F299 HydrophobicContact CG2-CD2 3.91Å; T201-F299 HydrophobicContact CG2-CE2 3.77Å
202	G	98.8	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.4	174.1	0	0	0	0	0	111	D228 V229 L230	G202-D228 PolarHBondContact N-O 2.9Å; G202-V229 CarbonylContact O-C 3.02Å; G202-V229 WeakPolarHBondContact O-CA 3.22Å; G202-L230 PolarHBondContact O-N 3.08Å
203	L	98.9	Very high	95.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	98.9	178.2	-57.3	172.7	0	0	0	108.3	G178 Y179 S180 T201 L230 I296 F299	G178-L203 PolarHBondContact O-N 2.86Å; Y179-L203 WeakPolarHBondContact CA-O 3.36Å; Y179-L203 HydrophobicContact CD2-CB 4.22Å; Y179-L203 VanDerWaalsContact CD2-O 3.27Å; Y179-L203 WeakPolarHBondContact CD2-O 3.04Å; S180-L203 PolarHBondContact N-O 2.85Å; T201-L203 HydrophobicContact CG2-CD2 3.84Å; T201-L203 HydrophobicContact CG2-CG 4.34Å; L203-L230 HydrophobicContact CD2-CD1 3.94Å; L203-L230 HydrophobicContact CD2-CG 4.43Å; L203-I296 HydrophobicContact CB-CG1 4.23Å; L203-I296 HydrophobicContact CD1-CB 4.43Å; L203-I296 HydrophobicContact CD1-CG1 3.83Å; L203-F299 HydrophobicContact CD2-CB 3.8Å; L203-F299 HydrophobicContact CD2-CD2 4.18Å; L203-F299 HydrophobicContact CD2-CG 4.14Å
204	D	98.5	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	42.2	66.7	-173.9	-152.1	37.2	0	0	0	113	S180 L230 H231 T232 N233 H292	S180-D204 WeakPolarHBondContact CA-O 3.33Å; D204-L230 WeakPolarHBondContact CA-O 3.47Å; D204-L230 PolarHBondContact N-O 3.22Å; D204-H231 WeakPolarHBondContact OD1-CA 3.35Å; D204-T232 PolarHBondContact OD1-N 3.4Å; D204-T232 PolarHBondContact OD2-OG1 3.48Å; D204-N233 PolarHBondContact OD1-N 2.79Å; D204-N233 WeakPolarHBondContact OD2-CB 3.49Å; D204-N233 PolarHBondContact OD2-N 2.81Å; D204-N233 VanDerWaalsContact OD2-N 3.08Å; D204-H292 PolarHBondContact O-CE1 3.01Å; D204-H292 WeakPolarHBondContact OD2-CA 3.16Å; D204-H292 IonicContact OD2-CE1 2.71Å; D204-H292 IonicContact OD2-CG 3.4Å; D204-H292 IonicContact OD2-ND1 3.82Å; D204-H292 PolarHBondContact OD2-ND1 2.88Å
205	P	98.6	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.			trans	-53.6	145.1	-178.6	-21	31	0	0	0	111.6	A183 L219 V229 G243 I244 V248	A183-P205 HydrophobicContact CB-CB 3.64Å; A183-P205 HydrophobicContact CB-CG 3.73Å; P205-L219 HydrophobicContact CG-CD2 4.1Å; P205-V229 HydrophobicContact CG-CG1 3.58Å; P205-G243 CarbonylContact O-C 3.6Å; P205-G243 WeakPolarHBondContact O-CA 3.07Å; P205-I244 HydrophobicContact CB-CG2 3.85Å; P205-I244 HydrophobicContact CG-CG2 4.21Å; P205-I244 PolarHBondContact O-N 2.82Å; P205-V248 HydrophobicContact CG-CG2 4.28Å
206	A	96.4	Very high	95.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-63.4	137.5	-175.3	0	0	0	0	0	112.5	S180 L181 H184 F210 I242	S180-A206 PolarHBondContact O-N 3.3Å; L181-A206 HydrophobicContact CD2-CB 3.77Å; L181-A206 HydrophobicContact CG-CB 4.42Å; H184-A206 PolarHBondContact NE2-N 3.28Å; H184-A206 PolarHBondContact NE2-O 2.85Å; A206-F210 HydrophobicContact CB-CD2 4.17Å; A206-F210 HydrophobicContact CB-CE2 4.4Å; A206-F210 WeakPolarHBondContact O-CB 3.44Å; A206-I242 CarbonylContact C-O 3.54Å
207	G	93.3	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.			trans	-83.5	-55.6	178	0	0	0	0	0	113.8	T209 F210 E211 I242	G207-T209 PolarHBondContact O-N 3.3Å; G207-F210 PolarHBondContact O-N 3.05Å; G207-E211 PolarHBondContact O-N 2.98Å; G207-I242 PolarHBondContact N-O 2.87Å
208	P	90.3	Very high	95.2	Very high	35 Å²	35	32.7 Å²	32.7	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	135.4	-171.7	-19.5	32.2	0	0	0	110.6	Y142 F210 S241	Y142-P208 HydrophobicContact CE1-CB 3.67Å; Y142-P208 HydrophobicContact CE1-CG 4.4Å; Y142-P208 WeakPolarHBondContact OH-CD 3.32Å; Y142-P208 PolarHBondContact OH-O 3.07Å; P208-F210 VanDerWaalsContact O-CD2 3.26Å; P208-F210 WeakPolarHBondContact O-CD2 3.34Å; P208-F210 PolarHBondContact O-N 3Å; P208-S241 VanDerWaalsContact CD-O 3.25Å; P208-S241 WeakPolarHBondContact CD-O 3.43Å
209	T	89.8	Confident	95.3	Very high	93 Å²	93	32.2 Å²	32.2	57%	0.571	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	-24.8	-170.8	-48.8	0	0	0	0	115.2	G207	G207-T209 PolarHBondContact O-N 3.3Å
210	F	95.5	Very high	95.2	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.031	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-20.4	-173.2	-60.1	-83.8	0	0	0	115.2	A146 T149 L181 H184 A206 G207 P208 H212 A213 S217 I244 R246	A146-F210 HydrophobicContact CB-CE2 3.82Å; A146-F210 HydrophobicContact CB-CZ 3.98Å; T149-F210 HydrophobicContact CG2-CZ 4.08Å; L181-F210 HydrophobicContact CD2-CD2 4.44Å; L181-F210 HydrophobicContact CD2-CE2 3.45Å; L181-F210 VanDerWaalsContact CD2-CE2 3.45Å; L181-F210 HydrophobicContact CD2-CZ 3.99Å; H184-F210 HydrophobicContact CB-CD1 4.21Å; H184-F210 HydrophobicContact CB-CE1 3.83Å; H184-F210 HydrophobicContact CB-CZ 4.25Å; H184-F210 AromaticContact CD2-CD1 3.7Å; H184-F210 AromaticContact CD2-CD2 3.58Å; H184-F210 AromaticContact CD2-CE1 3.81Å; H184-F210 AromaticContact CD2-CE2 3.73Å; H184-F210 AromaticContact CD2-CG 3.58Å; H184-F210 AromaticContact CD2-CZ 3.83Å; H184-F210 AromaticContact CE1-CD1 3.92Å; H184-F210 AromaticContact CE1-CG 3.71Å; H184-F210 AromaticContact CG-CD1 3.61Å; H184-F210 AromaticContact CG-CE1 3.67Å; H184-F210 AromaticContact CG-CG 3.95Å; H184-F210 AromaticContact ND1-CD1 3.75Å; H184-F210 AromaticContact NE2-CD1 3.93Å; H184-F210 AromaticContact NE2-CD2 3.63Å; H184-F210 AromaticContact NE2-CG 3.46Å; H184-F210 WeakPolarHBondContact NE2-CG 3.23Å; A206-F210 HydrophobicContact CB-CD2 4.17Å; A206-F210 HydrophobicContact CB-CE2 4.4Å; A206-F210 WeakPolarHBondContact O-CB 3.44Å; G207-F210 PolarHBondContact O-N 3.05Å; P208-F210 VanDerWaalsContact O-CD2 3.26Å; P208-F210 WeakPolarHBondContact O-CD2 3.34Å; P208-F210 PolarHBondContact O-N 3Å; F210-H212 PolarHBondContact O-N 3.32Å; F210-H212 VanDerWaalsContact O-N 3.15Å; F210-A213 PolarHBondContact O-N 3.27Å; F210-A213 VanDerWaalsContact O-N 3.1Å; F210-S217 WeakPolarHBondContact CD1-O 3.44Å; F210-S217 WeakPolarHBondContact CE1-O 3.2Å; F210-I244 HydrophobicContact CB-CD1 4.39Å; F210-R246 PolarHBondContact O-NH2 3.35Å
211	E	94	Very high	95.1	Very high	15 Å²	15	37 Å²	37	7%	0.07	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.9	-179.2	-170.2	66.4	-140.9	0	0	112.2	G207 P238 I244 Q245 R246	G207-E211 PolarHBondContact O-N 2.98Å; E211-P238 HydrophobicContact CG-CB 3.91Å; E211-I244 WeakPolarHBondContact OE2-CA 3.42Å; E211-I244 WeakPolarHBondContact OE2-CG1 3.38Å; E211-Q245 PolarHBondContact OE2-N 2.82Å; E211-R246 VanDerWaalsContact O-CD 3.25Å; E211-R246 WeakPolarHBondContact O-CD 3.01Å; E211-R246 PolarHBondContact O-NE 3.41Å; E211-R246 WeakPolarHBondContact OE1-CB 3.32Å; E211-R246 WeakPolarHBondContact OE1-CG 3.09Å; E211-R246 PolarHBondContact OE1-N 3.11Å
212	H	94.1	Very high	94.9	Very high	141 Å²	141	38.7 Å²	38.7	65%	0.653	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	7.3	178.5	-60.6	-49.8	0	0	0	113.9	F210 D239	F210-H212 PolarHBondContact O-N 3.32Å; F210-H212 VanDerWaalsContact O-N 3.15Å; H212-D239 IonicContact CD2-OD1 3.95Å; H212-D239 PolarHBondContact CD2-OD1 2.8Å; H212-D239 VanDerWaalsContact CD2-OD1 3.22Å; H212-D239 IonicContact NE2-OD1 2.9Å; H212-D239 PolarHBondContact NE2-OD1 2.63Å
213	A	93.1	Very high	94.9	Very high	22 Å²	22	38.7 Å²	38.7	18%	0.182	20%	0.204	C	C	.	.			trans	-69.2	149.4	175.6	0	0	0	0	0	111.7	F210 T218 R246	F210-A213 PolarHBondContact O-N 3.27Å; F210-A213 VanDerWaalsContact O-N 3.1Å; A213-T218 HydrophobicContact CB-CG2 4.49Å; A213-R246 PolarHBondContact O-NH2 3.43Å
214	D	94	Very high	94.8	Very high	76 Å²	76	38.8 Å²	38.8	41%	0.406	20%	0.204	S	C	.	.			trans	-68.2	157.6	174.6	66.7	-56.5	0	0	0	111.9	Q216 S217 T218	D214-Q216 PolarHBondContact O-N 2.84Å; D214-Q216 VanDerWaalsContact O-N 3.08Å; D214-Q216 WeakPolarHBondContact OD2-CB 3.44Å; D214-Q216 PolarHBondContact OD2-N 3Å; D214-S217 PolarHBondContact O-N 3.47Å; D214-S217 WeakPolarHBondContact OD1-CB 3.45Å; D214-S217 PolarHBondContact OD1-OG 3.01Å; D214-T218 WeakPolarHBondContact O-CG2 3.47Å; D214-T218 PolarHBondContact O-N 3.48Å
215	E	92.6	Very high	94.8	Very high	116 Å²	116	42 Å²	42	54%	0.542	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-57.5	-25.4	-176.1	-67.5	-172.1	165.1	0	0	113.5	S217	E215-S217 VanDerWaalsContact C-N 3.34Å
216	Q	91.8	Very high	94.8	Very high	145 Å²	145	42.1 Å²	42.1	68%	0.678	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-78.9	-18	179.2	-54.2	174.1	-38.2	0	0	113.1	D214	D214-Q216 PolarHBondContact O-N 2.84Å; D214-Q216 VanDerWaalsContact O-N 3.08Å; D214-Q216 WeakPolarHBondContact OD2-CB 3.44Å; D214-Q216 PolarHBondContact OD2-N 3Å
217	S	90.8	Very high	94.9	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.098	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-107.9	1.7	-178.3	-55.5	0	0	0	0	112.9	K150 F210 D214 E215	K150-S217 VanDerWaalsContact CE-OG 3.23Å; K150-S217 WeakPolarHBondContact CE-OG 3.46Å; K150-S217 PolarHBondContact NZ-OG 3.21Å; F210-S217 WeakPolarHBondContact CD1-O 3.44Å; F210-S217 WeakPolarHBondContact CE1-O 3.2Å; D214-S217 PolarHBondContact O-N 3.47Å; D214-S217 WeakPolarHBondContact OD1-CB 3.45Å; D214-S217 PolarHBondContact OD1-OG 3.01Å; E215-S217 VanDerWaalsContact C-N 3.34Å
218	T	95.6	Very high	95.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.22	C	C	.	.	S	Bend	trans	-140.7	168.2	-173.7	-176.2	0	0	0	0	110.4	H184 A213 D214 S220	H184-T218 PolarHBondContact CE1-OG1 2.89Å; H184-T218 PolarHBondContact ND1-OG1 3.08Å; A213-T218 HydrophobicContact CB-CG2 4.49Å; D214-T218 WeakPolarHBondContact O-CG2 3.47Å; D214-T218 PolarHBondContact O-N 3.48Å; T218-S220 PolarHBondContact O-N 2.77Å
219	L	98.4	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.			trans	-66.2	135.9	172.3	178.4	62.7	0	0	0	107.7	A183 H184 I200 P205 D223 V227 V229 V248	A183-L219 HydrophobicContact CB-CD2 4.3Å; H184-L219 PolarHBondContact ND1-N 2.92Å; H184-L219 VanDerWaalsContact ND1-N 3.18Å; I200-L219 HydrophobicContact CB-CD1 4.49Å; I200-L219 HydrophobicContact CD1-CD1 4.32Å; I200-L219 HydrophobicContact CG2-CD1 3.75Å; P205-L219 HydrophobicContact CG-CD2 4.1Å; L219-D223 WeakPolarHBondContact CA-OD2 3.25Å; L219-V227 HydrophobicContact CD1-CG1 4Å; L219-V227 HydrophobicContact CD2-CG1 4.26Å; L219-V227 HydrophobicContact CG-CG1 4.22Å; L219-V229 HydrophobicContact CD2-CG2 4.11Å; L219-V248 HydrophobicContact CB-CG2 4.38Å; L219-V248 HydrophobicContact CD2-CG2 4.08Å; L219-V248 HydrophobicContact CG-CG2 4.29Å; L219-V248 VanDerWaalsContact O-CB 3.29Å; L219-V248 WeakPolarHBondContact O-CB 3.23Å; L219-V248 WeakPolarHBondContact O-CG1 3.38Å
220	S	97.4	Very high	96	Very high	8 Å²	8	36 Å²	36	6%	0.056	18%	0.182	C	C	.	.			trans	-140.1	157.6	-179.3	101.4	0	0	0	0	110.5	T218 G222 D223 V248	T218-S220 PolarHBondContact O-N 2.77Å; S220-G222 PolarHBondContact O-N 3.35Å; S220-G222 VanDerWaalsContact O-N 3.15Å; S220-G222 PolarHBondContact OG-N 2.81Å; S220-D223 WeakPolarHBondContact CB-OD1 3.37Å; S220-D223 PolarHBondContact N-OD2 2.84Å; S220-D223 WeakPolarHBondContact O-CB 3.23Å; S220-D223 VanDerWaalsContact O-CG 3.28Å; S220-D223 PolarHBondContact O-N 2.96Å; S220-D223 PolarHBondContact OG-OD1 3.13Å; S220-V248 CarbonylContact C-O 3.52Å; S220-V248 WeakPolarHBondContact CA-O 3.25Å
221	R	95.6	Very high	96.1	Very high	103 Å²	103	35.7 Å²	35.7	39%	0.389	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	173.2	67.8	-177.3	-176.7	167.2	1.6	112.8	D223 V248 H250 A347	R221-D223 VanDerWaalsContact C-N 3.29Å; R221-V248 PolarHBondContact N-O 3.44Å; R221-H250 PolarHBondContact O-CE1 2.89Å; R221-A347 PolarHBondContact NH1-O 2.85Å
222	G	95.6	Very high	96.3	Very high	34 Å²	34	35 Å²	35	35%	0.351	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.4	-178.7	0	0	0	0	0	112.9	K196 S220 A224	K196-G222 WeakPolarHBondContact CD-O 3.42Å; K196-G222 WeakPolarHBondContact CE-O 3.43Å; K196-G222 PolarHBondContact NZ-O 2.83Å; S220-G222 PolarHBondContact O-N 3.35Å; S220-G222 VanDerWaalsContact O-N 3.15Å; S220-G222 PolarHBondContact OG-N 2.81Å; G222-A224 VanDerWaalsContact C-N 3.3Å; G222-A224 PolarHBondContact O-N 3.16Å
223	D	97.8	Very high	96.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-75.7	-16.6	-165.8	-56.1	-5.6	0	0	0	113.5	G187 G190 I200 L219 S220 R221	G187-D223 WeakPolarHBondContact CA-OD2 3.21Å; G187-D223 WeakPolarHBondContact O-CB 3.25Å; G187-D223 VanDerWaalsContact O-CG 3.3Å; G190-D223 CarbonylContact C-O 3.53Å; G190-D223 VanDerWaalsContact CA-O 3.25Å; G190-D223 WeakPolarHBondContact CA-O 3.41Å; I200-D223 HydrophobicContact CD1-CB 3.58Å; L219-D223 WeakPolarHBondContact CA-OD2 3.25Å; S220-D223 WeakPolarHBondContact CB-OD1 3.37Å; S220-D223 PolarHBondContact N-OD2 2.84Å; S220-D223 WeakPolarHBondContact O-CB 3.23Å; S220-D223 VanDerWaalsContact O-CG 3.28Å; S220-D223 PolarHBondContact O-N 2.96Å; S220-D223 PolarHBondContact OG-OD1 3.13Å; R221-D223 VanDerWaalsContact C-N 3.29Å
224	A	98.1	Very high	96.3	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.017	14%	0.144	C	C	.	.	S	Bend	trans	-148.8	169.7	177.3	0	0	0	0	0	111.9	I197 I200 G222 F226 V227	I197-A224 HydrophobicContact CD1-CB 4.28Å; I197-A224 HydrophobicContact CG1-CB 3.81Å; I197-A224 WeakPolarHBondContact O-CB 3.49Å; I200-A224 HydrophobicContact CB-CB 4.34Å; I200-A224 HydrophobicContact CD1-CB 3.74Å; I200-A224 HydrophobicContact CG1-CB 3.76Å; G222-A224 VanDerWaalsContact C-N 3.3Å; G222-A224 PolarHBondContact O-N 3.16Å; A224-F226 PolarHBondContact O-N 3Å; A224-V227 HydrophobicContact CB-CG2 3.9Å
225	Q	97.6	Very high	96	Very high	68 Å²	68	31.9 Å²	31.9	32%	0.318	15%	0.151	S	C	.	.	S	Bend	trans	-58.7	-33.4	171.9	-62	-178.4	18.1	0	0	111.5	E172 K196 I197 R345	E172-Q225 PolarHBondContact OE1-NE2 3.43Å; K196-Q225 HydrophobicContact CB-CG 4.02Å; K196-Q225 WeakPolarHBondContact O-CG 3.32Å; K196-Q225 PolarHBondContact O-NE2 3.23Å; K196-Q225 VanDerWaalsContact O-NE2 3.09Å; I197-Q225 WeakPolarHBondContact O-CG 3.26Å; I197-Q225 PolarHBondContact O-N 2.76Å; Q225-R345 VanDerWaalsContact O-CD 3.31Å; Q225-R345 WeakPolarHBondContact O-CD 3.48Å; Q225-R345 VanDerWaalsContact O-CZ 3.27Å; Q225-R345 PolarHBondContact O-NE 3.14Å; Q225-R345 VanDerWaalsContact O-NE 3.1Å
226	F	98.6	Very high	95.4	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	15%	0.148	C	C	.	.			trans	-145.3	138.6	173.1	-174.1	-106.6	0	0	0	111.3	S198 R199 I200 A224 D228 H250 I251 I341 K343 R345	S198-F226 PolarHBondContact O-N 3.43Å; R199-F226 CarbonylContact C-O 3.59Å; R199-F226 VanDerWaalsContact CA-O 3.23Å; R199-F226 WeakPolarHBondContact CA-O 3.14Å; R199-F226 HydrophobicContact CG-CD1 4.2Å; I200-F226 PolarHBondContact N-O 3.33Å; A224-F226 PolarHBondContact O-N 3Å; F226-D228 HydrophobicContact CE1-CB 3.71Å; F226-D228 HydrophobicContact CZ-CB 4.17Å; F226-H250 HydrophobicContact CD2-CB 4.05Å; F226-H250 HydrophobicContact CE2-CB 3.84Å; F226-I251 HydrophobicContact CE2-CD1 4.18Å; F226-I251 HydrophobicContact CE2-CG1 4.15Å; F226-I251 HydrophobicContact CZ-CB 4.44Å; F226-I251 HydrophobicContact CZ-CD1 3.87Å; F226-I251 HydrophobicContact CZ-CG1 4.01Å; F226-I341 HydrophobicContact CE1-CD1 4.37Å; F226-I341 HydrophobicContact CE1-CG2 3.63Å; F226-I341 HydrophobicContact CZ-CD1 4.17Å; F226-I341 HydrophobicContact CZ-CG1 4.44Å; F226-I341 HydrophobicContact CZ-CG2 4.23Å; F226-K343 HydrophobicContact CB-CB 4.3Å; F226-K343 HydrophobicContact CB-CD 4.22Å; F226-K343 HydrophobicContact CB-CG 4.3Å; F226-K343 HydrophobicContact CD1-CB 4.15Å; F226-K343 HydrophobicContact CD1-CD 4.42Å; F226-K343 HydrophobicContact CD1-CG 3.8Å; F226-K343 HydrophobicContact CD2-CB 3.86Å; F226-K343 HydrophobicContact CD2-CG 4.42Å; F226-K343 HydrophobicContact CE1-CB 4.47Å; F226-K343 HydrophobicContact CE1-CG 4.21Å; F226-K343 HydrophobicContact CE2-CB 4.22Å; F226-K343 HydrophobicContact CG-CB 3.83Å; F226-K343 HydrophobicContact CG-CD 4.37Å; F226-K343 HydrophobicContact CG-CG 3.9Å; F226-R345 HydrophobicContact CD2-CG 4.37Å
227	V	98.8	Very high	94.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.3	-179.1	-177.2	0	0	0	0	107.9	I200 L219 A224 V229 H250 I251	I200-V227 HydrophobicContact CB-CG1 4.44Å; I200-V227 HydrophobicContact CB-CG2 4.31Å; I200-V227 VanDerWaalsContact O-CA 3.32Å; I200-V227 WeakPolarHBondContact O-CA 3.37Å; L219-V227 HydrophobicContact CD1-CG1 4Å; L219-V227 HydrophobicContact CD2-CG1 4.26Å; L219-V227 HydrophobicContact CG-CG1 4.22Å; A224-V227 HydrophobicContact CB-CG2 3.9Å; V227-V229 HydrophobicContact CG1-CG2 4.15Å; V227-H250 PolarHBondContact N-ND1 2.98Å; V227-H250 WeakPolarHBondContact O-CB 3.46Å; V227-H250 PolarHBondContact O-N 2.9Å; V227-I251 PolarHBondContact O-N 3.3Å
228	D	98.8	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.3	175.2	63.4	-60.7	0	0	0	111.4	R199 I200 T201 G202 F226 I251 I341	R199-D228 IonicContact CZ-OD1 2.7Å; R199-D228 IonicContact CZ-OD2 2.8Å; R199-D228 IonicContact NE-OD1 2.68Å; R199-D228 PolarHBondContact NE-OD1 3.14Å; R199-D228 IonicContact NE-OD2 3.63Å; R199-D228 VanDerWaalsContact NH2-CG 3.27Å; R199-D228 IonicContact NH2-OD1 3.67Å; R199-D228 PolarHBondContact NH2-OD1 2.96Å; R199-D228 IonicContact NH2-OD2 3.22Å; R199-D228 PolarHBondContact NH2-OD2 2.61Å; I200-D228 PolarHBondContact O-N 3.27Å; I200-D228 VanDerWaalsContact O-N 3.09Å; T201-D228 CarbonylContact C-O 3.3Å; T201-D228 VanDerWaalsContact CA-O 3.26Å; T201-D228 WeakPolarHBondContact CA-O 3.32Å; T201-D228 PolarHBondContact OG1-OD1 3.4Å; T201-D228 PolarHBondContact OG1-OD2 3.48Å; G202-D228 PolarHBondContact N-O 2.9Å; F226-D228 HydrophobicContact CE1-CB 3.71Å; F226-D228 HydrophobicContact CZ-CB 4.17Å; D228-I251 WeakPolarHBondContact CA-O 3.34Å; D228-I341 HydrophobicContact CB-CD1 3.87Å
229	V	98.9	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.6	-168.3	-169.4	0	0	0	0	109.9	G202 P205 L219 V227 H231 V248 I251 I253	G202-V229 CarbonylContact O-C 3.02Å; G202-V229 WeakPolarHBondContact O-CA 3.22Å; P205-V229 HydrophobicContact CG-CG1 3.58Å; L219-V229 HydrophobicContact CD2-CG2 4.11Å; V227-V229 HydrophobicContact CG1-CG2 4.15Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.16Å; V229-V248 HydrophobicContact CB-CG2 4.5Å; V229-V248 HydrophobicContact CG1-CG2 4.04Å; V229-V248 HydrophobicContact CG2-CG2 3.87Å; V229-I251 PolarHBondContact N-O 3.48Å; V229-I253 PolarHBondContact O-N 3.48Å
230	L	98.9	Very high	90.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.6	171.2	-60.2	-174.8	0	0	0	108.9	G202 L203 D204 I253 S295 L298 F299 L337	G202-L230 PolarHBondContact O-N 3.08Å; L203-L230 HydrophobicContact CD2-CD1 3.94Å; L203-L230 HydrophobicContact CD2-CG 4.43Å; D204-L230 WeakPolarHBondContact CA-O 3.47Å; D204-L230 PolarHBondContact N-O 3.22Å; L230-I253 HydrophobicContact CD2-CB 3.84Å; L230-I253 HydrophobicContact CD2-CD1 4.09Å; L230-I253 HydrophobicContact CD2-CG1 4.34Å; L230-I253 HydrophobicContact CD2-CG2 4.38Å; L230-S295 WeakPolarHBondContact CD1-O 3.33Å; L230-L298 HydrophobicContact CD1-CB 4.25Å; L230-F299 HydrophobicContact CD1-CB 4.43Å; L230-L337 HydrophobicContact CD1-CD2 4.48Å; L230-L337 HydrophobicContact CD2-CD1 4.1Å; L230-L337 HydrophobicContact CD2-CG 4.02Å
231	H	98.6	Very high	90.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.			trans	-106.4	111.1	176.7	-60.4	-98.5	0	0	0	109.2	D204 V229 T234 I244 R246 D252 I253 Y254 P255 G258	D204-H231 WeakPolarHBondContact OD1-CA 3.35Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.16Å; H231-T234 HydrophobicContact CB-CG2 3.76Å; H231-I244 PolarHBondContact ND1-O 3.14Å; H231-R246 PolarHBondContact CE1-O 3.45Å; H231-D252 IonicContact NE2-OD1 3.11Å; H231-D252 PolarHBondContact NE2-OD1 3.05Å; H231-I253 PolarHBondContact N-O 3.43Å; H231-Y254 HydrophobicContact CB-CD1 3.45Å; H231-Y254 VanDerWaalsContact CB-CD1 3.45Å; H231-Y254 HydrophobicContact CB-CE1 3.59Å; H231-Y254 HydrophobicContact CB-CG 4.12Å; H231-Y254 AromaticContact CD2-CE1 3.78Å; H231-Y254 AromaticContact CD2-CE2 3.97Å; H231-Y254 AromaticContact CD2-CZ 3.67Å; H231-Y254 AromaticContact CG-CD1 3.87Å; H231-Y254 AromaticContact CG-CE1 3.51Å; H231-Y254 AromaticContact CG-CZ 3.87Å; H231-Y254 AromaticContact ND1-CE1 3.92Å; H231-Y254 AromaticContact NE2-CZ 3.9Å; H231-P255 VanDerWaalsContact O-CD 3.32Å; H231-P255 WeakPolarHBondContact O-CD 3.41Å; H231-G258 WeakPolarHBondContact O-CA 3.31Å
232	T	97.7	Very high	89.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.			trans	-123.1	-14.8	-172.6	53.8	0	0	0	0	114.4	D204 P255 G258 Q261 S291 H292 S295 L298	D204-T232 PolarHBondContact OD1-N 3.4Å; D204-T232 PolarHBondContact OD2-OG1 3.48Å; T232-P255 HydrophobicContact CG2-CB 4.37Å; T232-P255 HydrophobicContact CG2-CG 3.95Å; T232-G258 CarbonylContact C-O 3.52Å; T232-Q261 HydrophobicContact CG2-CG 4.38Å; T232-Q261 WeakPolarHBondContact O-CG 2.89Å; T232-Q261 PolarHBondContact O-NE2 3.18Å; T232-S291 CarbonylContact C-O 3.57Å; T232-S291 WeakPolarHBondContact CB-O 3.13Å; T232-S291 PolarHBondContact OG1-O 2.8Å; T232-H292 PolarHBondContact OG1-O 2.91Å; T232-S295 WeakPolarHBondContact OG1-CB 3.37Å; T232-S295 PolarHBondContact OG1-N 2.82Å; T232-L298 HydrophobicContact CG2-CD1 3.99Å
233	N	94.1	Very high	89.7	Confident	12 Å²	12	37 Å²	37	6%	0.064	19%	0.187	C	C	.	.			trans	-134.7	55.5	178.3	-160.3	9.4	0	0	0	114.4	D204 R235 G243 G258 I288 H292	D204-N233 PolarHBondContact OD1-N 2.79Å; D204-N233 WeakPolarHBondContact OD2-CB 3.49Å; D204-N233 PolarHBondContact OD2-N 2.81Å; D204-N233 VanDerWaalsContact OD2-N 3.08Å; N233-R235 VanDerWaalsContact C-N 3.31Å; N233-R235 PolarHBondContact O-N 2.85Å; N233-G243 PolarHBondContact O-N 3.02Å; N233-G258 PolarHBondContact N-O 2.98Å; N233-G258 VanDerWaalsContact N-O 3.16Å; N233-I288 PolarHBondContact ND2-O 3.31Å; N233-H292 HydrophobicContact CB-CB 4.29Å
234	T	93.6	Very high	89.6	Confident	12 Å²	12	36.9 Å²	36.9	7%	0.074	19%	0.187	C	C	.	.			trans	-90.5	21	-177.8	77.4	0	0	0	0	113.7	H231 I244 Y254 G258	H231-T234 HydrophobicContact CB-CG2 3.76Å; T234-I244 WeakPolarHBondContact CG2-O 3.17Å; T234-Y254 HydrophobicContact CG2-CE1 4.48Å; T234-G258 PolarHBondContact N-O 2.84Å; T234-G258 PolarHBondContact OG1-O 3.31Å
235	R	86.6	Confident	89.6	Confident	150 Å²	150	39.1 Å²	39.1	57%	0.566	20%	0.197	S	C	*	.			trans	-76	131.2	-177.6	179.8	178.6	-179	173.9	0.4	110.7	N233 S241 T259	N233-R235 VanDerWaalsContact C-N 3.31Å; N233-R235 PolarHBondContact O-N 2.85Å; R235-S241 VanDerWaalsContact O-CA 3.3Å; R235-S241 WeakPolarHBondContact O-CA 3.34Å; R235-S241 WeakPolarHBondContact O-CB 3.25Å; R235-T259 WeakPolarHBondContact CB-O 3.48Å
236	G	79.8	Confident	89.5	Confident	47 Å²	47	38.9 Å²	38.9	49%	0.485	19%	0.193	S	C	.	.	S	Bend	trans	128.7	179.2	176.7	0	0	0	0	0	112	Q245	G236-Q245 PolarHBondContact O-NE2 2.79Å
237	S	71.5	Confident	89.4	Confident	53 Å²	53	40.9 Å²	40.9	37%	0.371	21%	0.206	S	C	.	.	S	Bend	trans	-64.8	155.6	163.6	54	0	0	0	0	109.6	D239 R240 S241 Q245	S237-D239 PolarHBondContact O-N 3.41Å; S237-D239 VanDerWaalsContact O-N 3.09Å; S237-R240 CarbonylContact O-C 3.52Å; S237-R240 PolarHBondContact O-N 3.09Å; S237-R240 WeakPolarHBondContact OG-CB 3.45Å; S237-R240 WeakPolarHBondContact OG-CD 3.47Å; S237-R240 VanDerWaalsContact OG-CG 3.31Å; S237-R240 WeakPolarHBondContact OG-CG 3.37Å; S237-S241 PolarHBondContact O-N 3.02Å; S237-Q245 PolarHBondContact O-NE2 3.12Å
238	P	68.3	Low	89.4	Confident	55 Å²	55	41.1 Å²	41.1	36%	0.357	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-45.4	-43.6	-178.7	-31.7	36.9	0	0	0	114.2	E211 R240 S241	E211-P238 HydrophobicContact CG-CB 3.91Å; P238-R240 VanDerWaalsContact C-N 3.3Å; P238-R240 PolarHBondContact O-N 3.05Å; P238-S241 PolarHBondContact O-OG 2.95Å
239	D	65.6	Low	89.3	Confident	106 Å²	106	41.1 Å²	41.1	57%	0.567	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-80.3	-2.7	-179.9	-55.6	-57	0	0	0	115.5	H212 S237	H212-D239 IonicContact CD2-OD1 3.95Å; H212-D239 PolarHBondContact CD2-OD1 2.8Å; H212-D239 VanDerWaalsContact CD2-OD1 3.22Å; H212-D239 IonicContact NE2-OD1 2.9Å; H212-D239 PolarHBondContact NE2-OD1 2.63Å; S237-D239 PolarHBondContact O-N 3.41Å; S237-D239 VanDerWaalsContact O-N 3.09Å
240	R	72.4	Confident	89.3	Confident	206 Å²	206	41.6 Å²	41.6	78%	0.777	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-125	-6.1	-173.6	-61.8	-175.5	-176.2	174.6	0.5	113.8	S237 P238	S237-R240 CarbonylContact O-C 3.52Å; S237-R240 PolarHBondContact O-N 3.09Å; S237-R240 WeakPolarHBondContact OG-CB 3.45Å; S237-R240 WeakPolarHBondContact OG-CD 3.47Å; S237-R240 VanDerWaalsContact OG-CG 3.31Å; S237-R240 WeakPolarHBondContact OG-CG 3.37Å; P238-R240 VanDerWaalsContact C-N 3.3Å; P238-R240 PolarHBondContact O-N 3.05Å
241	S	84.8	Confident	89.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.			trans	-74.3	137.7	172.8	48.5	0	0	0	0	110.6	P208 R235 S237 P238 G243 Q245	P208-S241 VanDerWaalsContact CD-O 3.25Å; P208-S241 WeakPolarHBondContact CD-O 3.43Å; R235-S241 VanDerWaalsContact O-CA 3.3Å; R235-S241 WeakPolarHBondContact O-CA 3.34Å; R235-S241 WeakPolarHBondContact O-CB 3.25Å; S237-S241 PolarHBondContact O-N 3.02Å; P238-S241 PolarHBondContact O-OG 2.95Å; S241-G243 WeakPolarHBondContact CB-O 3.39Å; S241-G243 PolarHBondContact OG-O 2.89Å; S241-G243 VanDerWaalsContact OG-O 3.1Å; S241-Q245 VanDerWaalsContact OG-CG 3.23Å; S241-Q245 WeakPolarHBondContact OG-CG 3.15Å; S241-Q245 PolarHBondContact OG-NE2 3.24Å
242	I	89.2	Confident	89.3	Confident	61 Å²	61	41.7 Å²	41.7	31%	0.313	21%	0.211	S	C	.	.	S	Bend	trans	-67.4	-46.4	-179.5	-66.7	169.8	0	0	0	110.6	A206 G207 I288	A206-I242 CarbonylContact C-O 3.54Å; G207-I242 PolarHBondContact N-O 2.87Å; I242-I288 HydrophobicContact CD1-CG2 3.29Å
243	G	94.2	Very high	89.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-88.9	148.1	169.9	0	0	0	0	0	111.7	P205 N233 S241	P205-G243 CarbonylContact O-C 3.6Å; P205-G243 WeakPolarHBondContact O-CA 3.07Å; N233-G243 PolarHBondContact O-N 3.02Å; S241-G243 WeakPolarHBondContact CB-O 3.39Å; S241-G243 PolarHBondContact OG-O 2.89Å; S241-G243 VanDerWaalsContact OG-O 3.1Å
244	I	96.4	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.			trans	-64.4	136.1	176.6	-158.8	172.1	0	0	0	110.7	P205 F210 E211 H231 T234 R246 V248	P205-I244 HydrophobicContact CB-CG2 3.85Å; P205-I244 HydrophobicContact CG-CG2 4.21Å; P205-I244 PolarHBondContact O-N 2.82Å; F210-I244 HydrophobicContact CB-CD1 4.39Å; E211-I244 WeakPolarHBondContact OE2-CA 3.42Å; E211-I244 WeakPolarHBondContact OE2-CG1 3.38Å; H231-I244 PolarHBondContact ND1-O 3.14Å; T234-I244 WeakPolarHBondContact CG2-O 3.17Å; I244-R246 HydrophobicContact CD1-CG 3.92Å; I244-R246 HydrophobicContact CG1-CG 3.95Å; I244-V248 HydrophobicContact CD1-CG1 3.77Å; I244-V248 HydrophobicContact CG2-CG2 4.3Å
245	Q	96.3	Very high	89.8	Confident	49 Å²	49	40.8 Å²	40.8	23%	0.229	21%	0.205	C	C	.	.			trans	-89.1	-42.5	-176.7	-47.7	-160.5	12.1	0	0	112	E211 G236 S237 S241 Y254	E211-Q245 PolarHBondContact OE2-N 2.82Å; G236-Q245 PolarHBondContact O-NE2 2.79Å; S237-Q245 PolarHBondContact O-NE2 3.12Å; S241-Q245 VanDerWaalsContact OG-CG 3.23Å; S241-Q245 WeakPolarHBondContact OG-CG 3.15Å; S241-Q245 PolarHBondContact OG-NE2 3.24Å; Q245-Y254 PolarHBondContact O-OH 2.79Å
246	R	95.9	Very high	90.4	Very high	62 Å²	62	34.5 Å²	34.5	23%	0.234	18%	0.183	C	C	.	.	S	Bend	trans	-65.9	148.2	179.4	67.6	173.3	174.7	109.2	-6.2	111.8	F210 E211 A213 H231 I244 V248	F210-R246 PolarHBondContact O-NH2 3.35Å; E211-R246 VanDerWaalsContact O-CD 3.25Å; E211-R246 WeakPolarHBondContact O-CD 3.01Å; E211-R246 PolarHBondContact O-NE 3.41Å; E211-R246 WeakPolarHBondContact OE1-CB 3.32Å; E211-R246 WeakPolarHBondContact OE1-CG 3.09Å; E211-R246 PolarHBondContact OE1-N 3.11Å; A213-R246 PolarHBondContact O-NH2 3.43Å; H231-R246 PolarHBondContact CE1-O 3.45Å; I244-R246 HydrophobicContact CD1-CG 3.92Å; I244-R246 HydrophobicContact CG1-CG 3.95Å; R246-V248 HydrophobicContact CG-CG1 4.28Å
247	P	97.5	Very high	91.2	Very high	45 Å²	45	32.6 Å²	32.6	29%	0.292	16%	0.163	S	C	.	.			trans	-66.2	137.9	171.9	28.3	-34	0	0	0	110.5	D252	P247-D252 VanDerWaalsContact CA-OD1 3.25Å; P247-D252 WeakPolarHBondContact CA-OD1 3.25Å; P247-D252 HydrophobicContact CB-CB 4.01Å; P247-D252 VanDerWaalsContact CB-OD2 3.27Å; P247-D252 WeakPolarHBondContact CB-OD2 3.46Å
248	V	97.9	Very high	92.3	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	15%	0.145	C	C	.	.			trans	-128.8	-4.1	179.3	-70	0	0	0	0	113.2	P205 L219 S220 R221 V229 I244 R246 D252	P205-V248 HydrophobicContact CG-CG2 4.28Å; L219-V248 HydrophobicContact CB-CG2 4.38Å; L219-V248 HydrophobicContact CD2-CG2 4.08Å; L219-V248 HydrophobicContact CG-CG2 4.29Å; L219-V248 VanDerWaalsContact O-CB 3.29Å; L219-V248 WeakPolarHBondContact O-CB 3.23Å; L219-V248 WeakPolarHBondContact O-CG1 3.38Å; S220-V248 CarbonylContact C-O 3.52Å; S220-V248 WeakPolarHBondContact CA-O 3.25Å; R221-V248 PolarHBondContact N-O 3.44Å; V229-V248 HydrophobicContact CB-CG2 4.5Å; V229-V248 HydrophobicContact CG1-CG2 4.04Å; V229-V248 HydrophobicContact CG2-CG2 3.87Å; I244-V248 HydrophobicContact CD1-CG1 3.77Å; I244-V248 HydrophobicContact CG2-CG2 4.3Å; R246-V248 HydrophobicContact CG-CG1 4.28Å; V248-D252 PolarHBondContact N-OD1 3.2Å
249	G	98.1	Very high	93.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-106.7	-174.9	177.8	0	0	0	0	0	115.1	D252 S349	G249-D252 PolarHBondContact N-OD1 2.95Å; G249-S349 VanDerWaalsContact O-CB 3.3Å; G249-S349 WeakPolarHBondContact O-CB 3.42Å; G249-S349 PolarHBondContact O-OG 3.06Å
250	H	98.6	Very high	94.6	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.046	12%	0.123	C	C	.	.	S	Bend	trans	-72.8	-40.7	160.5	-65.8	89.7	0	0	0	110.3	R221 F226 V227 R345 A350	R221-H250 PolarHBondContact O-CE1 2.89Å; F226-H250 HydrophobicContact CD2-CB 4.05Å; F226-H250 HydrophobicContact CE2-CB 3.84Å; V227-H250 PolarHBondContact N-ND1 2.98Å; V227-H250 WeakPolarHBondContact O-CB 3.46Å; V227-H250 PolarHBondContact O-N 2.9Å; H250-R345 PolarHBondContact NE2-NE 3.36Å; H250-A350 PolarHBondContact O-N 3.14Å
251	I	98.6	Very high	95.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.8	174.9	-56.6	-172.9	0	0	0	109.2	F226 V227 D228 V229 I253 N335 I341 M352	F226-I251 HydrophobicContact CE2-CD1 4.18Å; F226-I251 HydrophobicContact CE2-CG1 4.15Å; F226-I251 HydrophobicContact CZ-CB 4.44Å; F226-I251 HydrophobicContact CZ-CD1 3.87Å; F226-I251 HydrophobicContact CZ-CG1 4.01Å; V227-I251 PolarHBondContact O-N 3.3Å; D228-I251 WeakPolarHBondContact CA-O 3.34Å; V229-I251 PolarHBondContact N-O 3.48Å; I251-I253 HydrophobicContact CG2-CD1 4.44Å; I251-I253 HydrophobicContact CG2-CG1 3.94Å; I251-N335 WeakPolarHBondContact CD1-ND2 3.49Å; I251-I341 HydrophobicContact CB-CD1 4.13Å; I251-I341 HydrophobicContact CD1-CD1 3.96Å; I251-I341 HydrophobicContact CD1-CG1 4.26Å; I251-I341 HydrophobicContact CG2-CD1 4.02Å; I251-M352 HydrophobicContact CD1-CE 4.27Å; I251-M352 HydrophobicContact CG2-CE 4.02Å; I251-M352 HydrophobicContact CG2-CG 4.14Å; I251-M352 HydrophobicContact CG2-SD 3.95Å
252	D	98.7	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.5	-178	-57.7	-95.9	0	0	0	107.9	H231 P247 V248 G249 Y254 S349 A350 R351 M352	H231-D252 IonicContact NE2-OD1 3.11Å; H231-D252 PolarHBondContact NE2-OD1 3.05Å; P247-D252 VanDerWaalsContact CA-OD1 3.25Å; P247-D252 WeakPolarHBondContact CA-OD1 3.25Å; P247-D252 HydrophobicContact CB-CB 4.01Å; P247-D252 VanDerWaalsContact CB-OD2 3.27Å; P247-D252 WeakPolarHBondContact CB-OD2 3.46Å; V248-D252 PolarHBondContact N-OD1 3.2Å; G249-D252 PolarHBondContact N-OD1 2.95Å; D252-Y254 HydrophobicContact CB-CE2 3.8Å; D252-S349 WeakPolarHBondContact OD2-CB 3.41Å; D252-A350 PolarHBondContact N-O 3.28Å; D252-R351 CarbonylContact O-C 3.59Å; D252-R351 WeakPolarHBondContact O-CA 3.29Å; D252-M352 PolarHBondContact O-N 2.72Å
253	I	98.9	Very high	96	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.9	-176.6	-50.4	-180	0	0	0	108.3	V229 L230 H231 I251 P255 A312 L337 I341 M352 L354	V229-I253 PolarHBondContact O-N 3.48Å; L230-I253 HydrophobicContact CD2-CB 3.84Å; L230-I253 HydrophobicContact CD2-CD1 4.09Å; L230-I253 HydrophobicContact CD2-CG1 4.34Å; L230-I253 HydrophobicContact CD2-CG2 4.38Å; H231-I253 PolarHBondContact N-O 3.43Å; I251-I253 HydrophobicContact CG2-CD1 4.44Å; I251-I253 HydrophobicContact CG2-CG1 3.94Å; I253-P255 VanDerWaalsContact C-CD 3.47Å; I253-P255 HydrophobicContact CG2-CG 4.39Å; I253-P255 VanDerWaalsContact O-CD 3.22Å; I253-P255 WeakPolarHBondContact O-CD 3.41Å; I253-A312 HydrophobicContact CD1-CB 4.13Å; I253-A312 HydrophobicContact CG1-CB 4.36Å; I253-A312 HydrophobicContact CG2-CB 3.79Å; I253-L337 HydrophobicContact CD1-CB 4.4Å; I253-L337 HydrophobicContact CD1-CG 4.48Å; I253-L337 HydrophobicContact CG2-CD1 4.26Å; I253-I341 HydrophobicContact CD1-CD1 4.22Å; I253-M352 CarbonylContact C-O 3.59Å; I253-M352 WeakPolarHBondContact CA-O 3.48Å; I253-M352 HydrophobicContact CG1-CB 4.36Å; I253-L354 HydrophobicContact CG2-CD2 3.37Å
254	Y	98.8	Very high	95.5	Very high	4 Å²	4	18 Å²	18	2%	0.016	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	78.4	179.8	-63.2	-98.6	0	0	0	109.7	H231 T234 Q245 D252 N256 G257 R351 M352 Y353	H231-Y254 HydrophobicContact CB-CD1 3.45Å; H231-Y254 VanDerWaalsContact CB-CD1 3.45Å; H231-Y254 HydrophobicContact CB-CE1 3.59Å; H231-Y254 HydrophobicContact CB-CG 4.12Å; H231-Y254 AromaticContact CD2-CE1 3.78Å; H231-Y254 AromaticContact CD2-CE2 3.97Å; H231-Y254 AromaticContact CD2-CZ 3.67Å; H231-Y254 AromaticContact CG-CD1 3.87Å; H231-Y254 AromaticContact CG-CE1 3.51Å; H231-Y254 AromaticContact CG-CZ 3.87Å; H231-Y254 AromaticContact ND1-CE1 3.92Å; H231-Y254 AromaticContact NE2-CZ 3.9Å; T234-Y254 HydrophobicContact CG2-CE1 4.48Å; Q245-Y254 PolarHBondContact O-OH 2.79Å; D252-Y254 HydrophobicContact CB-CE2 3.8Å; Y254-N256 PolarHBondContact O-N 3.08Å; Y254-G257 PolarHBondContact O-N 3.16Å; Y254-R351 HydrophobicContact CE2-CB 4.2Å; Y254-R351 HydrophobicContact CE2-CG 4.14Å; Y254-M352 PolarHBondContact N-O 3.29Å; Y254-Y353 HydrophobicContact CD2-CE1 4.31Å; Y254-Y353 HydrophobicContact CG-CE1 4.11Å
255	P	98.6	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	131.6	174.6	-22.4	31.9	0	0	0	111.2	H231 T232 I253 G257 G258 Q261 L298 L337 L354 T356	H231-P255 VanDerWaalsContact O-CD 3.32Å; H231-P255 WeakPolarHBondContact O-CD 3.41Å; T232-P255 HydrophobicContact CG2-CB 4.37Å; T232-P255 HydrophobicContact CG2-CG 3.95Å; I253-P255 VanDerWaalsContact C-CD 3.47Å; I253-P255 HydrophobicContact CG2-CG 4.39Å; I253-P255 VanDerWaalsContact O-CD 3.22Å; I253-P255 WeakPolarHBondContact O-CD 3.41Å; P255-G257 PolarHBondContact O-N 2.78Å; P255-G257 VanDerWaalsContact O-N 3.07Å; P255-G258 WeakPolarHBondContact O-CA 3.06Å; P255-G258 PolarHBondContact O-N 3.25Å; P255-Q261 PolarHBondContact O-NE2 3.2Å; P255-L298 HydrophobicContact CB-CD1 3.79Å; P255-L298 HydrophobicContact CG-CD1 3.56Å; P255-L337 HydrophobicContact CG-CD1 4.1Å; P255-L354 HydrophobicContact CB-CD2 4.07Å; P255-L354 HydrophobicContact CG-CD2 3.99Å; P255-T356 HydrophobicContact CB-CG2 4.24Å
256	N	97.9	Very high	92.3	Very high	18 Å²	18	23.9 Å²	23.9	10%	0.096	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	18.5	-178.5	-53.9	-67.7	0	0	0	114.8	Y254 Q261 P262 L354 K355 T356	Y254-N256 PolarHBondContact O-N 3.08Å; N256-Q261 PolarHBondContact ND2-OE1 3.37Å; N256-P262 WeakPolarHBondContact ND2-CD 3.3Å; N256-L354 WeakPolarHBondContact CA-O 3.11Å; N256-L354 PolarHBondContact N-O 3.41Å; N256-K355 WeakPolarHBondContact OD1-CA 3.43Å; N256-T356 PolarHBondContact ND2-OG1 2.85Å; N256-T356 PolarHBondContact OD1-N 2.93Å
257	G	96.3	Very high	90.2	Very high	7 Å²	7	28.1 Å²	28.1	7%	0.072	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-3.5	-174	0	0	0	0	0	113.8	Y254 P255 T259	Y254-G257 PolarHBondContact O-N 3.16Å; P255-G257 PolarHBondContact O-N 2.78Å; P255-G257 VanDerWaalsContact O-N 3.07Å; G257-T259 VanDerWaalsContact C-N 3.26Å; G257-T259 PolarHBondContact O-N 2.88Å
258	G	95.3	Very high	87.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	81.6	-14.5	173.6	0	0	0	0	0	115.8	H231 T232 N233 T234 P255	H231-G258 WeakPolarHBondContact O-CA 3.31Å; T232-G258 CarbonylContact C-O 3.52Å; N233-G258 PolarHBondContact N-O 2.98Å; N233-G258 VanDerWaalsContact N-O 3.16Å; T234-G258 PolarHBondContact N-O 2.84Å; T234-G258 PolarHBondContact OG1-O 3.31Å; P255-G258 WeakPolarHBondContact O-CA 3.06Å; P255-G258 PolarHBondContact O-N 3.25Å
259	T	91.4	Very high	85.3	Confident	44 Å²	44	31.3 Å²	31.3	27%	0.27	18%	0.175	S	C	.	.	S	Bend	trans	-73.6	-41.3	-178.1	49.3	0	0	0	0	113.1	R235 G257	R235-T259 WeakPolarHBondContact CB-O 3.48Å; G257-T259 VanDerWaalsContact C-N 3.26Å; G257-T259 PolarHBondContact O-N 2.88Å
260	F	90.7	Very high	83.1	Confident	42 Å²	42	37.1 Å²	37.1	18%	0.184	21%	0.206	C	C	.	.			trans	-160.9	153.2	-173.1	-165.2	-100.9	0	0	0	110.9	C264 D265 S291	F260-C264 HydrophobicContact CE1-CB 3.64Å; F260-C264 HydrophobicContact CE2-CB 4Å; F260-C264 HydrophobicContact CZ-CB 3.33Å; F260-C264 WeakPolarHBondContact CZ-O 3.43Å; F260-D265 VanDerWaalsContact CE1-CA 3.47Å; F260-D265 HydrophobicContact CE1-CB 3.72Å; F260-D265 VanDerWaalsContact CE1-CG 3.45Å; F260-D265 VanDerWaalsContact CE1-N 3.3Å; F260-D265 VanDerWaalsContact CZ-CA 3.47Å; F260-D265 HydrophobicContact CZ-CB 4.21Å; F260-S291 WeakPolarHBondContact CD2-OG 3.46Å; F260-S291 WeakPolarHBondContact CE2-OG 3.46Å
261	Q	94.4	Very high	80.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.234	C	C	.	.			trans	-111.8	139.6	-172.4	-53.6	-55.8	-48.8	0	0	112.6	T232 P255 N256 G263 C264 S291 R294	T232-Q261 HydrophobicContact CG2-CG 4.38Å; T232-Q261 WeakPolarHBondContact O-CG 2.89Å; T232-Q261 PolarHBondContact O-NE2 3.18Å; P255-Q261 PolarHBondContact O-NE2 3.2Å; N256-Q261 PolarHBondContact ND2-OE1 3.37Å; Q261-G263 PolarHBondContact O-N 3.37Å; Q261-C264 WeakPolarHBondContact O-CB 3.49Å; Q261-C264 PolarHBondContact O-N 3.26Å; Q261-S291 PolarHBondContact N-OG 2.82Å; Q261-R294 HydrophobicContact CB-CB 4.16Å; Q261-R294 HydrophobicContact CB-CG 3.89Å; Q261-R294 HydrophobicContact CG-CB 3.77Å; Q261-R294 HydrophobicContact CG-CG 3.67Å
262	P	93.4	Very high	78.4	Confident	43 Å²	43	43.4 Å²	43.4	28%	0.279	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	138.7	175.8	-25.8	34.7	0	0	0	111.9	N256 C264 R294 D358	N256-P262 WeakPolarHBondContact ND2-CD 3.3Å; P262-C264 VanDerWaalsContact C-N 3.34Å; P262-R294 PolarHBondContact O-NH2 3.5Å; P262-D358 HydrophobicContact CB-CB 3.95Å; P262-D358 WeakPolarHBondContact O-CA 3.39Å
263	G	87.7	Confident	76.2	Confident	42 Å²	42	46.6 Å²	46.6	43%	0.433	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-8.8	-178.2	0	0	0	0	0	115.4	Q261	Q261-G263 PolarHBondContact O-N 3.37Å
264	C	84.2	Confident	74.1	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.014	30%	0.295	C	S	.	.			trans	-94.8	-6.5	-179.4	-65	0	0	0	0	114.5	F260 Q261 P262 L287 C290 S291	F260-C264 HydrophobicContact CE1-CB 3.64Å; F260-C264 HydrophobicContact CE2-CB 4Å; F260-C264 HydrophobicContact CZ-CB 3.33Å; F260-C264 WeakPolarHBondContact CZ-O 3.43Å; Q261-C264 WeakPolarHBondContact O-CB 3.49Å; Q261-C264 PolarHBondContact O-N 3.26Å; P262-C264 VanDerWaalsContact C-N 3.34Å; C264-L287 VanDerWaalsContact O-CD1 3.31Å; C264-L287 WeakPolarHBondContact O-CD1 3.34Å; C264-C290 VanDerWaalsContact CA-SG 3.5Å; C264-C290 HydrophobicContact CB-CB 3.67Å; C264-C290 WeakPolarHBondContact CB-SG 3.11Å; C264-C290 WeakPolarHBondContact SG-CB 3.37Å; C264-C290 CovalentContact SG-SG 2.05Å; C264-C290 PolarHBondContact SG-SG 2.75Å; C264-S291 PolarHBondContact SG-N 2.81Å
265	D	69.2	Low	72	Confident	82 Å²	82	54.8 Å²	54.8	44%	0.439	32%	0.324	S	S	.	.			trans	-70.7	149.9	-163	-120	-27.8	0	0	0	114.7	F260 Q267 N268	F260-D265 VanDerWaalsContact CE1-CA 3.47Å; F260-D265 HydrophobicContact CE1-CB 3.72Å; F260-D265 VanDerWaalsContact CE1-CG 3.45Å; F260-D265 VanDerWaalsContact CE1-N 3.3Å; F260-D265 VanDerWaalsContact CZ-CA 3.47Å; F260-D265 HydrophobicContact CZ-CB 4.21Å; D265-Q267 PolarHBondContact O-N 3.38Å; D265-N268 PolarHBondContact O-N 2.87Å; D265-N268 VanDerWaalsContact O-N 3.13Å
266	I	57	Low	69.8	Low	90 Å²	90	60.1 Å²	60.1	46%	0.462	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.2	-171.9	-56.5	167	0	0	0	112.8	N268 T269 L270 L287	I266-N268 VanDerWaalsContact C-N 3.28Å; I266-N268 PolarHBondContact O-N 2.98Å; I266-T269 WeakPolarHBondContact CA-OG1 3.22Å; I266-T269 CarbonylContact O-C 3.6Å; I266-T269 VanDerWaalsContact O-CA 3.29Å; I266-T269 WeakPolarHBondContact O-CA 3.35Å; I266-T269 WeakPolarHBondContact O-CB 3.39Å; I266-T269 PolarHBondContact O-N 3.1Å; I266-T269 PolarHBondContact O-OG1 3.15Å; I266-L270 PolarHBondContact O-N 3.1Å; I266-L287 HydrophobicContact CG1-CD2 4.4Å
267	Q	50.3	Low	67.9	Low	152 Å²	152	61.1 Å²	61.1	71%	0.71	36%	0.363	S	S	*	.	H	α-helix	trans	-62.7	-33.3	175.1	-90.7	-179.2	-24.6	0	0	112.9	D265 T269 L270 L271	D265-Q267 PolarHBondContact O-N 3.38Å; Q267-T269 PolarHBondContact O-N 3.48Å; Q267-L270 PolarHBondContact O-N 3.02Å; Q267-L271 PolarHBondContact O-N 2.71Å
268	N	49.2	Very low	65.6	Low	103 Å²	103	67.9 Å²	67.9	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-66.8	-23.7	171.1	-72.1	-14.4	0	0	0	111.6	D265 I266 G272	D265-N268 PolarHBondContact O-N 2.87Å; D265-N268 VanDerWaalsContact O-N 3.13Å; I266-N268 VanDerWaalsContact C-N 3.28Å; I266-N268 PolarHBondContact O-N 2.98Å; N268-G272 PolarHBondContact O-N 2.94Å
269	T	45	Very low	63.2	Low	14 Å²	14	74.9 Å²	74.9	9%	0.086	43%	0.426	C	S	.	.	H	α-helix	trans	-80.3	-35.7	176.4	-39.7	0	0	0	0	112.4	I266 Q267 L271 G272 I273 L287	I266-T269 WeakPolarHBondContact CA-OG1 3.22Å; I266-T269 CarbonylContact O-C 3.6Å; I266-T269 VanDerWaalsContact O-CA 3.29Å; I266-T269 WeakPolarHBondContact O-CA 3.35Å; I266-T269 WeakPolarHBondContact O-CB 3.39Å; I266-T269 PolarHBondContact O-N 3.1Å; I266-T269 PolarHBondContact O-OG1 3.15Å; Q267-T269 PolarHBondContact O-N 3.48Å; T269-L271 VanDerWaalsContact C-N 3.31Å; T269-G272 CarbonylContact O-C 3.59Å; T269-G272 PolarHBondContact O-N 3.34Å; T269-I273 HydrophobicContact CG2-CD1 3.86Å; T269-I273 HydrophobicContact CG2-CG1 4.25Å; T269-I273 VanDerWaalsContact O-CB 3.3Å; T269-I273 WeakPolarHBondContact O-CB 3.32Å; T269-I273 WeakPolarHBondContact O-CD1 3.32Å; T269-I273 WeakPolarHBondContact O-CG1 3.28Å; T269-I273 PolarHBondContact O-N 2.96Å; T269-L287 HydrophobicContact CG2-CD2 3.8Å; T269-L287 WeakPolarHBondContact OG1-CD1 3.21Å; T269-L287 WeakPolarHBondContact OG1-CD2 3.33Å
270	L	51.1	Low	61.2	Low	122 Å²	122	72.9 Å²	72.9	64%	0.639	42%	0.415	S	S	*	.	H	α-helix	trans	-64.3	-39.5	170.9	-102.8	150.1	0	0	0	111.1	I266 Q267 A274	I266-L270 PolarHBondContact O-N 3.1Å; Q267-L270 PolarHBondContact O-N 3.02Å; L270-A274 WeakPolarHBondContact O-CB 3.43Å; L270-A274 PolarHBondContact O-N 3.31Å
271	L	50.4	Low	59	Low	122 Å²	122	76 Å²	76	64%	0.639	43%	0.433	S	S	*	.	H	α-helix	trans	-63.4	-45.4	169.7	-88	149.1	0	0	0	111.8	Q267 T269 A274 S275	Q267-L271 PolarHBondContact O-N 2.71Å; T269-L271 VanDerWaalsContact C-N 3.31Å; L271-A274 PolarHBondContact O-N 3.22Å; L271-S275 WeakPolarHBondContact O-CB 3.34Å; L271-S275 PolarHBondContact O-N 3.09Å; L271-S275 PolarHBondContact O-OG 2.94Å
272	G	48.1	Very low	56.5	Low	22 Å²	22	83.4 Å²	83.4	23%	0.227	47%	0.468	C	S	.	.	H	α-helix	trans	-66.6	-37.5	178	0	0	0	0	0	114.8	N268 T269 S275 E276	N268-G272 PolarHBondContact O-N 2.94Å; T269-G272 CarbonylContact O-C 3.59Å; T269-G272 PolarHBondContact O-N 3.34Å; G272-S275 WeakPolarHBondContact CA-OG 3.41Å; G272-S275 PolarHBondContact O-N 3.36Å; G272-S275 PolarHBondContact O-OG 2.93Å; G272-E276 WeakPolarHBondContact O-CA 3.46Å; G272-E276 VanDerWaalsContact O-CB 3.3Å; G272-E276 WeakPolarHBondContact O-CB 3.38Å; G272-E276 PolarHBondContact O-N 3.39Å
273	I	52.7	Low	54.2	Low	68 Å²	68	84.7 Å²	84.7	35%	0.349	47%	0.472	S	S	.	.	H	α-helix	trans	-71.1	-40.1	173.5	-68.3	164.9	0	0	0	109.7	T269 S275 G277	T269-I273 HydrophobicContact CG2-CD1 3.86Å; T269-I273 HydrophobicContact CG2-CG1 4.25Å; T269-I273 VanDerWaalsContact O-CB 3.3Å; T269-I273 WeakPolarHBondContact O-CB 3.32Å; T269-I273 WeakPolarHBondContact O-CD1 3.32Å; T269-I273 WeakPolarHBondContact O-CG1 3.28Å; T269-I273 PolarHBondContact O-N 2.96Å; I273-S275 VanDerWaalsContact C-N 3.27Å; I273-S275 PolarHBondContact O-N 2.82Å; I273-G277 WeakPolarHBondContact O-CA 3.28Å; I273-G277 PolarHBondContact O-N 3.02Å
274	A	53.5	Low	52.4	Low	88 Å²	88	86.3 Å²	86.3	73%	0.727	47%	0.469	S	S	*	.	H	α-helix	trans	-65	-30.4	174.6	0	0	0	0	0	112.5	L270 L271	L270-A274 WeakPolarHBondContact O-CB 3.43Å; L270-A274 PolarHBondContact O-N 3.31Å; L271-A274 PolarHBondContact O-N 3.22Å
275	S	55.7	Low	50.7	Low	89 Å²	89	90.5 Å²	90.5	62%	0.622	49%	0.492	S	S	*	.	H	α-helix	trans	-91	-30.8	178.2	61.7	0	0	0	0	114.6	L271 G272 I273	L271-S275 WeakPolarHBondContact O-CB 3.34Å; L271-S275 PolarHBondContact O-N 3.09Å; L271-S275 PolarHBondContact O-OG 2.94Å; G272-S275 WeakPolarHBondContact CA-OG 3.41Å; G272-S275 PolarHBondContact O-N 3.36Å; G272-S275 PolarHBondContact O-OG 2.93Å; I273-S275 VanDerWaalsContact C-N 3.27Å; I273-S275 PolarHBondContact O-N 2.82Å
276	E	53	Low	49.9	Very low	112 Å²	112	93.1 Å²	93.1	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-124.6	1.4	-169.7	-55.3	-164	169	0	0	115.5	G272 K279	G272-E276 WeakPolarHBondContact O-CA 3.46Å; G272-E276 VanDerWaalsContact O-CB 3.3Å; G272-E276 WeakPolarHBondContact O-CB 3.38Å; G272-E276 PolarHBondContact O-N 3.39Å; E276-K279 HydrophobicContact CB-CB 4.45Å; E276-K279 PolarHBondContact O-N 2.73Å
277	G	57.4	Low	49.8	Very low	38 Å²	38	90.4 Å²	90.4	39%	0.392	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	-136.4	174.6	0	0	0	0	0	113.8	I273 K279 G280	I273-G277 WeakPolarHBondContact O-CA 3.28Å; I273-G277 PolarHBondContact O-N 3.02Å; G277-K279 PolarHBondContact O-N 3.47Å; G277-K279 VanDerWaalsContact O-N 3.14Å; G277-G280 WeakPolarHBondContact O-CA 3.22Å; G277-G280 PolarHBondContact O-N 3.23Å
278	I	47.3	Very low	50.2	Low	149 Å²	149	87.2 Å²	87.2	76%	0.764	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.3	-176.5	-64.3	166.3	0	0	0	112.7	G280 L281	I278-G280 PolarHBondContact O-N 2.76Å; I278-L281 WeakPolarHBondContact O-CB 3.29Å; I278-L281 PolarHBondContact O-N 3.31Å; I278-L281 VanDerWaalsContact O-N 3.13Å
279	K	46.5	Very low	51.6	Low	147 Å²	147	84.2 Å²	84.2	64%	0.639	46%	0.456	S	S	*	.	H	α-helix	trans	-65.3	-27.6	172.3	-69.9	-176.5	176.2	-178.1	0	112.5	E276 G277 L281 Q282	E276-K279 HydrophobicContact CB-CB 4.45Å; E276-K279 PolarHBondContact O-N 2.73Å; G277-K279 PolarHBondContact O-N 3.47Å; G277-K279 VanDerWaalsContact O-N 3.14Å; K279-L281 PolarHBondContact O-N 3.38Å; K279-Q282 PolarHBondContact O-N 3.3Å
280	G	48.5	Very low	53.6	Low	3 Å²	3	85.3 Å²	85.3	3%	0.031	46%	0.464	C	S	.	.	H	α-helix	trans	-63.8	-23.9	172.2	0	0	0	0	0	114.1	G277 I278	G277-G280 WeakPolarHBondContact O-CA 3.22Å; G277-G280 PolarHBondContact O-N 3.23Å; I278-G280 PolarHBondContact O-N 2.76Å
281	L	43.6	Very low	55.6	Low	107 Å²	107	79.6 Å²	79.6	56%	0.56	43%	0.434	S	S	*	.	H	α-helix	trans	-75.8	-30.1	173.3	-92.3	94.4	0	0	0	112.9	I278 K279 N283 M284	I278-L281 WeakPolarHBondContact O-CB 3.29Å; I278-L281 PolarHBondContact O-N 3.31Å; I278-L281 VanDerWaalsContact O-N 3.13Å; K279-L281 PolarHBondContact O-N 3.38Å; L281-N283 PolarHBondContact O-N 3.2Å; L281-M284 VanDerWaalsContact O-CB 3.3Å; L281-M284 WeakPolarHBondContact O-CB 3.4Å; L281-M284 WeakPolarHBondContact O-CG 3.41Å; L281-M284 PolarHBondContact O-N 2.86Å; L281-M284 VanDerWaalsContact O-N 3.16Å
282	Q	42.3	Very low	57.7	Low	157 Å²	157	74.3 Å²	74.3	73%	0.734	41%	0.406	S	S	*	.	H	α-helix	trans	-68.1	-21.5	177.1	-68.4	-178.2	-32.3	0	0	112.1	K279 M284	K279-Q282 PolarHBondContact O-N 3.3Å; Q282-M284 VanDerWaalsContact C-N 3.26Å; Q282-M284 PolarHBondContact O-N 3.38Å
283	N	46.5	Very low	59.9	Low	70 Å²	70	74.7 Å²	74.7	37%	0.374	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.1	174.8	-64.5	-28.5	0	0	0	113.6	L281 Q286 L287	L281-N283 PolarHBondContact O-N 3.2Å; N283-Q286 PolarHBondContact O-N 2.8Å; N283-L287 WeakPolarHBondContact O-CB 2.93Å; N283-L287 PolarHBondContact O-N 3.28Å
284	M	48	Very low	62	Low	75 Å²	75	72.3 Å²	72.3	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-64.9	-41.3	-178.2	-72.2	-116.1	67.6	0	0	113	L281 Q282 L287 I288	L281-M284 VanDerWaalsContact O-CB 3.3Å; L281-M284 WeakPolarHBondContact O-CB 3.4Å; L281-M284 WeakPolarHBondContact O-CG 3.41Å; L281-M284 PolarHBondContact O-N 2.86Å; L281-M284 VanDerWaalsContact O-N 3.16Å; Q282-M284 VanDerWaalsContact C-N 3.26Å; Q282-M284 PolarHBondContact O-N 3.38Å; M284-L287 HydrophobicContact CE-CD2 3.94Å; M284-L287 WeakPolarHBondContact O-CB 3.36Å; M284-L287 PolarHBondContact O-N 3.04Å; M284-I288 VanDerWaalsContact O-CG1 3.27Å; M284-I288 WeakPolarHBondContact O-CG1 3.31Å; M284-I288 PolarHBondContact O-N 3.45Å
285	D	50	Low	64.2	Low	91 Å²	91	68.1 Å²	68.1	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-41.8	176.3	-89.5	8.2	0	0	0	111.5	L287 I288 K289	D285-L287 VanDerWaalsContact C-N 3.28Å; D285-L287 PolarHBondContact O-N 3.04Å; D285-I288 PolarHBondContact O-N 3.03Å; D285-K289 WeakPolarHBondContact O-CB 2.98Å; D285-K289 VanDerWaalsContact O-CG 3.25Å; D285-K289 WeakPolarHBondContact O-CG 3.47Å; D285-K289 PolarHBondContact O-N 2.71Å
286	Q	51.6	Low	66.2	Low	137 Å²	137	63.9 Å²	63.9	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-66.3	-32	176.5	-161	173.1	14.3	0	0	111.9	N283 C290	N283-Q286 PolarHBondContact O-N 2.8Å; Q286-C290 PolarHBondContact O-N 3.14Å
287	L	54.7	Low	68.4	Low	33 Å²	33	60.6 Å²	60.6	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-73.1	-43.5	176.6	-174.3	75.4	0	0	0	112.4	C264 I266 T269 N283 M284 D285 K289 C290	C264-L287 VanDerWaalsContact O-CD1 3.31Å; C264-L287 WeakPolarHBondContact O-CD1 3.34Å; I266-L287 HydrophobicContact CG1-CD2 4.4Å; T269-L287 HydrophobicContact CG2-CD2 3.8Å; T269-L287 WeakPolarHBondContact OG1-CD1 3.21Å; T269-L287 WeakPolarHBondContact OG1-CD2 3.33Å; N283-L287 WeakPolarHBondContact O-CB 2.93Å; N283-L287 PolarHBondContact O-N 3.28Å; M284-L287 HydrophobicContact CE-CD2 3.94Å; M284-L287 WeakPolarHBondContact O-CB 3.36Å; M284-L287 PolarHBondContact O-N 3.04Å; D285-L287 VanDerWaalsContact C-N 3.28Å; D285-L287 PolarHBondContact O-N 3.04Å; L287-K289 PolarHBondContact O-N 2.9Å; L287-C290 WeakPolarHBondContact O-CB 3.09Å; L287-C290 PolarHBondContact O-N 2.95Å
288	I	59.9	Low	70.4	Confident	84 Å²	84	58.8 Å²	58.8	43%	0.431	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-36.6	174.9	-69.1	167.5	0	0	0	110.1	N233 I242 M284 D285	N233-I288 PolarHBondContact ND2-O 3.31Å; I242-I288 HydrophobicContact CD1-CG2 3.29Å; M284-I288 VanDerWaalsContact O-CG1 3.27Å; M284-I288 WeakPolarHBondContact O-CG1 3.31Å; M284-I288 PolarHBondContact O-N 3.45Å; D285-I288 PolarHBondContact O-N 3.03Å
289	K	77.6	Confident	72.8	Confident	41 Å²	41	51.7 Å²	51.7	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-75.5	-22	175.5	-71.2	179	-177.5	-168.2	0	114.3	E110 D285 L287 S291 H292 E293	E110-K289 IonicContact OE1-NZ 3.84Å; E110-K289 PolarHBondContact OE1-NZ 2.93Å; D285-K289 WeakPolarHBondContact O-CB 2.98Å; D285-K289 VanDerWaalsContact O-CG 3.25Å; D285-K289 WeakPolarHBondContact O-CG 3.47Å; D285-K289 PolarHBondContact O-N 2.71Å; L287-K289 PolarHBondContact O-N 2.9Å; K289-S291 PolarHBondContact O-N 2.82Å; K289-H292 CarbonylContact O-C 3.59Å; K289-H292 WeakPolarHBondContact O-CA 3.39Å; K289-H292 VanDerWaalsContact O-CB 3.31Å; K289-H292 WeakPolarHBondContact O-CB 3.44Å; K289-H292 PolarHBondContact O-N 3.2Å; K289-E293 HydrophobicContact CB-CG 4.27Å; K289-E293 PolarHBondContact O-N 3.25Å
290	C	87.4	Confident	75.3	Confident	37 Å²	37	45.1 Å²	45.1	25%	0.25	23%	0.226	C	C	.	.	H	α-helix	trans	-53	-48.7	-175.5	180	0	0	0	0	113.3	C264 Q286 L287 H292 R294	C264-C290 VanDerWaalsContact CA-SG 3.5Å; C264-C290 HydrophobicContact CB-CB 3.67Å; C264-C290 WeakPolarHBondContact CB-SG 3.11Å; C264-C290 WeakPolarHBondContact SG-CB 3.37Å; C264-C290 CovalentContact SG-SG 2.05Å; C264-C290 PolarHBondContact SG-SG 2.75Å; Q286-C290 PolarHBondContact O-N 3.14Å; L287-C290 WeakPolarHBondContact O-CB 3.09Å; L287-C290 PolarHBondContact O-N 2.95Å; C290-H292 VanDerWaalsContact C-N 3.32Å; C290-R294 WeakPolarHBondContact O-CB 3.23Å; C290-R294 PolarHBondContact O-N 2.9Å; C290-R294 VanDerWaalsContact O-N 3.15Å
291	S	92.6	Very high	77.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-72	-27.8	176.6	-75.7	0	0	0	0	112.7	T232 F260 Q261 C264 K289	T232-S291 CarbonylContact C-O 3.57Å; T232-S291 WeakPolarHBondContact CB-O 3.13Å; T232-S291 PolarHBondContact OG1-O 2.8Å; F260-S291 WeakPolarHBondContact CD2-OG 3.46Å; F260-S291 WeakPolarHBondContact CE2-OG 3.46Å; Q261-S291 PolarHBondContact N-OG 2.82Å; C264-S291 PolarHBondContact SG-N 2.81Å; K289-S291 PolarHBondContact O-N 2.82Å
292	H	94.1	Very high	80.3	Confident	11 Å²	11	40.4 Å²	40.4	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-71.1	-53.6	178.1	-162.1	41.4	0	0	0	111	Y179 S180 D204 T232 N233 K289 C290 R294 S295	Y179-H292 AromaticContact CE2-CD2 3.87Å; Y179-H292 AromaticContact CZ-CD2 3.55Å; Y179-H292 AromaticContact CZ-NE2 3.96Å; Y179-H292 PolarHBondContact OH-CD2 3.22Å; S180-H292 WeakPolarHBondContact CB-NE2 3.36Å; S180-H292 PolarHBondContact OG-NE2 2.99Å; D204-H292 PolarHBondContact O-CE1 3.01Å; D204-H292 WeakPolarHBondContact OD2-CA 3.16Å; D204-H292 IonicContact OD2-CE1 2.71Å; D204-H292 IonicContact OD2-CG 3.4Å; D204-H292 IonicContact OD2-ND1 3.82Å; D204-H292 PolarHBondContact OD2-ND1 2.88Å; T232-H292 PolarHBondContact OG1-O 2.91Å; N233-H292 HydrophobicContact CB-CB 4.29Å; K289-H292 CarbonylContact O-C 3.59Å; K289-H292 WeakPolarHBondContact O-CA 3.39Å; K289-H292 VanDerWaalsContact O-CB 3.31Å; K289-H292 WeakPolarHBondContact O-CB 3.44Å; K289-H292 PolarHBondContact O-N 3.2Å; C290-H292 VanDerWaalsContact C-N 3.32Å; H292-R294 PolarHBondContact O-N 2.9Å; H292-S295 PolarHBondContact O-N 2.98Å; H292-S295 PolarHBondContact O-OG 3.42Å
293	E	95.3	Very high	83	Confident	30 Å²	30	33 Å²	33	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-18.9	177.8	-70.7	-176	-151.9	0	0	113.1	Y179 K289 S295 I296 H297	Y179-E293 WeakPolarHBondContact OH-CG 3.34Å; K289-E293 HydrophobicContact CB-CG 4.27Å; K289-E293 PolarHBondContact O-N 3.25Å; E293-S295 PolarHBondContact O-N 2.82Å; E293-S295 VanDerWaalsContact O-N 3.14Å; E293-I296 WeakPolarHBondContact O-CB 3.15Å; E293-I296 PolarHBondContact O-N 3.4Å; E293-H297 PolarHBondContact O-CD2 2.82Å; E293-H297 PolarHBondContact O-N 3.26Å
294	R	97.4	Very high	85.4	Confident	18 Å²	18	32 Å²	32	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-56.1	-31.4	175.8	-177.5	57.4	61.4	119.1	0.3	112.6	Q261 P262 C290 H292 I296 H297 L298 R357 D358	Q261-R294 HydrophobicContact CB-CB 4.16Å; Q261-R294 HydrophobicContact CB-CG 3.89Å; Q261-R294 HydrophobicContact CG-CB 3.77Å; Q261-R294 HydrophobicContact CG-CG 3.67Å; P262-R294 PolarHBondContact O-NH2 3.5Å; C290-R294 WeakPolarHBondContact O-CB 3.23Å; C290-R294 PolarHBondContact O-N 2.9Å; C290-R294 VanDerWaalsContact O-N 3.15Å; H292-R294 PolarHBondContact O-N 2.9Å; R294-I296 VanDerWaalsContact C-N 3.3Å; R294-I296 PolarHBondContact O-N 3.49Å; R294-H297 PolarHBondContact O-N 3.26Å; R294-L298 HydrophobicContact CG-CD1 3.9Å; R294-L298 HydrophobicContact CG-CG 4.02Å; R294-L298 WeakPolarHBondContact O-CB 3.44Å; R294-L298 VanDerWaalsContact O-CG 3.28Å; R294-L298 WeakPolarHBondContact O-CG 3.23Å; R294-L298 PolarHBondContact O-N 2.78Å; R294-R357 PolarHBondContact NH1-O 3.04Å; R294-D358 VanDerWaalsContact CZ-O 3.24Å; R294-D358 PolarHBondContact NH1-O 3.44Å; R294-D358 PolarHBondContact NH2-O 3.17Å
295	S	98.5	Very high	87.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.9	-44.6	174.7	57	0	0	0	0	112	L230 T232 H292 E293 L298 F299	L230-S295 WeakPolarHBondContact CD1-O 3.33Å; T232-S295 WeakPolarHBondContact OG1-CB 3.37Å; T232-S295 PolarHBondContact OG1-N 2.82Å; H292-S295 PolarHBondContact O-N 2.98Å; H292-S295 PolarHBondContact O-OG 3.42Å; E293-S295 PolarHBondContact O-N 2.82Å; E293-S295 VanDerWaalsContact O-N 3.14Å; S295-L298 PolarHBondContact O-N 2.86Å; S295-F299 PolarHBondContact O-N 3Å; S295-F299 VanDerWaalsContact O-N 3.09Å
296	I	98.6	Very high	89.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-47.9	176.4	-60.7	152.5	0	0	0	110.3	W112 Y179 L203 E293 R294 L298 F299 I300	W112-I296 HydrophobicContact CB-CD1 4.22Å; W112-I296 HydrophobicContact CB-CG2 4.06Å; W112-I296 HydrophobicContact CD2-CD1 3.4Å; W112-I296 VanDerWaalsContact CD2-CD1 3.4Å; W112-I296 HydrophobicContact CD2-CG1 4.3Å; W112-I296 HydrophobicContact CD2-CG2 4.22Å; W112-I296 HydrophobicContact CE3-CD1 3.9Å; W112-I296 HydrophobicContact CE3-CG1 4.32Å; W112-I296 HydrophobicContact CE3-CG2 3.87Å; W112-I296 HydrophobicContact CG-CD1 3.53Å; W112-I296 HydrophobicContact CG-CG2 4.32Å; W112-I296 HydrophobicContact CZ2-CD1 4.27Å; Y179-I296 HydrophobicContact CD1-CD1 3.84Å; Y179-I296 HydrophobicContact CD2-CD1 3.4Å; Y179-I296 HydrophobicContact CD2-CG1 3.77Å; Y179-I296 HydrophobicContact CE1-CD1 4.02Å; Y179-I296 HydrophobicContact CE2-CD1 3.64Å; Y179-I296 HydrophobicContact CE2-CG1 4.31Å; Y179-I296 HydrophobicContact CG-CD1 3.5Å; Y179-I296 HydrophobicContact CG-CG1 4.06Å; L203-I296 HydrophobicContact CB-CG1 4.23Å; L203-I296 HydrophobicContact CD1-CB 4.43Å; L203-I296 HydrophobicContact CD1-CG1 3.83Å; E293-I296 WeakPolarHBondContact O-CB 3.15Å; E293-I296 PolarHBondContact O-N 3.4Å; R294-I296 VanDerWaalsContact C-N 3.3Å; R294-I296 PolarHBondContact O-N 3.49Å; I296-L298 VanDerWaalsContact C-N 3.33Å; I296-L298 PolarHBondContact O-N 2.86Å; I296-F299 CarbonylContact O-C 3.6Å; I296-F299 WeakPolarHBondContact O-CA 3.41Å; I296-F299 WeakPolarHBondContact O-CB 3.39Å; I296-F299 PolarHBondContact O-N 3.47Å; I296-I300 HydrophobicContact CG2-CD1 3.86Å; I296-I300 HydrophobicContact CG2-CG1 4.33Å; I296-I300 WeakPolarHBondContact O-CG1 3.31Å; I296-I300 PolarHBondContact O-N 2.88Å
297	H	98.3	Very high	91.6	Very high	43 Å²	43	30.7 Å²	30.7	20%	0.199	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-34.7	-179.2	-68	-58.2	0	0	0	113.3	E293 R294 F299 I300 D301 Y362	E293-H297 PolarHBondContact O-CD2 2.82Å; E293-H297 PolarHBondContact O-N 3.26Å; R294-H297 PolarHBondContact O-N 3.26Å; H297-F299 VanDerWaalsContact C-N 3.31Å; H297-I300 PolarHBondContact O-N 3.49Å; H297-D301 WeakPolarHBondContact O-CB 3.4Å; H297-D301 PolarHBondContact O-N 3.33Å; H297-Y362 HydrophobicContact CB-CE2 4Å; H297-Y362 WeakPolarHBondContact CB-OH 2.98Å; H297-Y362 WeakPolarHBondContact O-CE2 3.39Å
298	L	98.8	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-36.1	171.4	-72.8	169.9	0	0	0	111.7	L230 T232 P255 R294 S295 I296 S302 L337 T356 Y362	L230-L298 HydrophobicContact CD1-CB 4.25Å; T232-L298 HydrophobicContact CG2-CD1 3.99Å; P255-L298 HydrophobicContact CB-CD1 3.79Å; P255-L298 HydrophobicContact CG-CD1 3.56Å; R294-L298 HydrophobicContact CG-CD1 3.9Å; R294-L298 HydrophobicContact CG-CG 4.02Å; R294-L298 WeakPolarHBondContact O-CB 3.44Å; R294-L298 VanDerWaalsContact O-CG 3.28Å; R294-L298 WeakPolarHBondContact O-CG 3.23Å; R294-L298 PolarHBondContact O-N 2.78Å; S295-L298 PolarHBondContact O-N 2.86Å; I296-L298 VanDerWaalsContact C-N 3.33Å; I296-L298 PolarHBondContact O-N 2.86Å; L298-S302 PolarHBondContact O-N 3.01Å; L298-S302 VanDerWaalsContact O-N 3.14Å; L298-L337 HydrophobicContact CB-CD2 3.97Å; L298-L337 HydrophobicContact CD1-CD1 4.46Å; L298-L337 WeakPolarHBondContact O-CD2 3.32Å; L298-T356 HydrophobicContact CD2-CG2 3.86Å; L298-Y362 HydrophobicContact CD2-CD1 4.48Å; L298-Y362 HydrophobicContact CD2-CD2 3.65Å; L298-Y362 HydrophobicContact CD2-CE2 4.4Å; L298-Y362 HydrophobicContact CD2-CG 3.7Å; L298-Y362 HydrophobicContact CG-CD2 4.41Å
299	F	98.8	Very high	94.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.1	-44.1	174	-166.5	-90	0	0	0	111.7	L116 L177 T201 L203 L230 S295 I296 H297 D301 S302 L303 Y339	L116-F299 HydrophobicContact CD1-CD1 3.94Å; L116-F299 HydrophobicContact CD1-CE1 4.42Å; L177-F299 HydrophobicContact CD2-CD1 3.96Å; L177-F299 HydrophobicContact CD2-CE1 3.25Å; L177-F299 HydrophobicContact CD2-CE2 4.31Å; L177-F299 HydrophobicContact CD2-CZ 3.46Å; L177-F299 VanDerWaalsContact CD2-CZ 3.46Å; T201-F299 HydrophobicContact CG2-CD2 3.91Å; T201-F299 HydrophobicContact CG2-CE2 3.77Å; L203-F299 HydrophobicContact CD2-CB 3.8Å; L203-F299 HydrophobicContact CD2-CD2 4.18Å; L203-F299 HydrophobicContact CD2-CG 4.14Å; L230-F299 HydrophobicContact CD1-CB 4.43Å; S295-F299 PolarHBondContact O-N 3Å; S295-F299 VanDerWaalsContact O-N 3.09Å; I296-F299 CarbonylContact O-C 3.6Å; I296-F299 WeakPolarHBondContact O-CA 3.41Å; I296-F299 WeakPolarHBondContact O-CB 3.39Å; I296-F299 PolarHBondContact O-N 3.47Å; H297-F299 VanDerWaalsContact C-N 3.31Å; F299-D301 PolarHBondContact O-N 2.92Å; F299-S302 WeakPolarHBondContact O-CB 3.04Å; F299-S302 PolarHBondContact O-N 3.43Å; F299-S302 VanDerWaalsContact O-N 3.08Å; F299-S302 PolarHBondContact O-OG 2.83Å; F299-L303 HydrophobicContact CD1-CD1 3.91Å; F299-L303 HydrophobicContact CD1-CG 4.2Å; F299-L303 HydrophobicContact CE1-CD1 3.85Å; F299-L303 HydrophobicContact CE1-CD2 4.11Å; F299-L303 HydrophobicContact CE1-CG 4.03Å; F299-L303 PolarHBondContact O-N 3.42Å; F299-L303 VanDerWaalsContact O-N 3.14Å; F299-Y339 HydrophobicContact CZ-CD2 4.13Å
300	I	98.8	Very high	95.9	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.046	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-49.3	173.3	-70.6	171.2	0	0	0	110.7	K115 L116 A119 I296 H297 S302 L303 L304	K115-I300 HydrophobicContact CB-CD1 3.94Å; L116-I300 HydrophobicContact CB-CD1 4.2Å; L116-I300 HydrophobicContact CB-CG1 4.33Å; L116-I300 HydrophobicContact CD1-CG1 3.86Å; A119-I300 HydrophobicContact CB-CB 4.44Å; A119-I300 HydrophobicContact CB-CG1 4.28Å; A119-I300 HydrophobicContact CB-CG2 3.86Å; I296-I300 HydrophobicContact CG2-CD1 3.86Å; I296-I300 HydrophobicContact CG2-CG1 4.33Å; I296-I300 WeakPolarHBondContact O-CG1 3.31Å; I296-I300 PolarHBondContact O-N 2.88Å; H297-I300 PolarHBondContact O-N 3.49Å; I300-S302 PolarHBondContact O-N 2.84Å; I300-L303 WeakPolarHBondContact O-CA 3.09Å; I300-L303 WeakPolarHBondContact O-CB 3.45Å; I300-L303 PolarHBondContact O-N 3.01Å; I300-L304 HydrophobicContact CG2-CD1 3.75Å; I300-L304 HydrophobicContact CG2-CG 4.25Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 3.38Å
301	D	98.6	Very high	96.4	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-55	-39	175.4	179.1	63.4	0	0	0	111.9	H297 F299 L303 L304 N305 M360 P361 Y362	H297-D301 WeakPolarHBondContact O-CB 3.4Å; H297-D301 PolarHBondContact O-N 3.33Å; F299-D301 PolarHBondContact O-N 2.92Å; D301-L303 VanDerWaalsContact C-N 3.3Å; D301-L303 PolarHBondContact O-N 3.14Å; D301-L304 PolarHBondContact O-N 3.44Å; D301-N305 VanDerWaalsContact O-CB 3.3Å; D301-N305 WeakPolarHBondContact O-CB 3.36Å; D301-N305 PolarHBondContact O-N 3.25Å; D301-N305 PolarHBondContact OD1-ND2 3.15Å; D301-M360 HydrophobicContact CB-CG 4.04Å; D301-M360 HydrophobicContact CB-SD 3.97Å; D301-M360 VanDerWaalsContact OD1-CG 3.28Å; D301-M360 WeakPolarHBondContact OD1-CG 3.41Å; D301-P361 WeakPolarHBondContact OD1-CA 3.23Å; D301-Y362 HydrophobicContact CB-CD2 3.51Å; D301-Y362 HydrophobicContact CB-CE2 3.98Å; D301-Y362 PolarHBondContact OD1-N 2.89Å; D301-Y362 PolarHBondContact OD2-N 3.21Å
302	S	98.5	Very high	96.6	Very high	8 Å²	8	29.4 Å²	29.4	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-24.3	177.4	84.4	0	0	0	0	114.6	L298 F299 I300 L337 G338 Y339	L298-S302 PolarHBondContact O-N 3.01Å; L298-S302 VanDerWaalsContact O-N 3.14Å; F299-S302 WeakPolarHBondContact O-CB 3.04Å; F299-S302 PolarHBondContact O-N 3.43Å; F299-S302 VanDerWaalsContact O-N 3.08Å; F299-S302 PolarHBondContact O-OG 2.83Å; I300-S302 PolarHBondContact O-N 2.84Å; S302-L337 WeakPolarHBondContact CB-O 3.37Å; S302-G338 WeakPolarHBondContact OG-CA 3.46Å; S302-Y339 PolarHBondContact OG-N 3.37Å
303	L	98.3	Very high	96.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-76.5	-49	174.3	-67.2	168.8	0	0	0	109.9	L116 A119 L120 R123 F299 I300 D301 Y339	L116-L303 HydrophobicContact CD1-CD1 3.98Å; A119-L303 HydrophobicContact CB-CB 4.36Å; A119-L303 HydrophobicContact CB-CD1 3.87Å; L120-L303 HydrophobicContact CD2-CD1 3.8Å; L120-L303 HydrophobicContact CD2-CD2 4.07Å; L120-L303 HydrophobicContact CG-CD1 4.04Å; R123-L303 HydrophobicContact CB-CB 4.07Å; R123-L303 HydrophobicContact CB-CD2 3.9Å; R123-L303 WeakPolarHBondContact CD-O 3.45Å; R123-L303 HydrophobicContact CG-CB 4.42Å; R123-L303 HydrophobicContact CG-CD2 3.73Å; F299-L303 HydrophobicContact CD1-CD1 3.91Å; F299-L303 HydrophobicContact CD1-CG 4.2Å; F299-L303 HydrophobicContact CE1-CD1 3.85Å; F299-L303 HydrophobicContact CE1-CD2 4.11Å; F299-L303 HydrophobicContact CE1-CG 4.03Å; F299-L303 PolarHBondContact O-N 3.42Å; F299-L303 VanDerWaalsContact O-N 3.14Å; I300-L303 WeakPolarHBondContact O-CA 3.09Å; I300-L303 WeakPolarHBondContact O-CB 3.45Å; I300-L303 PolarHBondContact O-N 3.01Å; D301-L303 VanDerWaalsContact C-N 3.3Å; D301-L303 PolarHBondContact O-N 3.14Å; L303-Y339 HydrophobicContact CD2-CD1 4.05Å; L303-Y339 HydrophobicContact CD2-CD2 3.7Å; L303-Y339 HydrophobicContact CD2-CE2 4.41Å; L303-Y339 HydrophobicContact CD2-CG 3.49Å; L303-Y339 VanDerWaalsContact CD2-CG 3.49Å
304	L	97.8	Very high	97	Very high	49 Å²	49	32 Å²	32	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-78	-45.4	-173.3	-57	-179.8	0	0	0	112.4	A119 E122 I300 D301 T306 M360	A119-L304 HydrophobicContact CB-CD1 4.49Å; A119-L304 HydrophobicContact CB-CD2 3.9Å; A119-L304 HydrophobicContact CB-CG 4.17Å; E122-L304 HydrophobicContact CB-CD2 4.03Å; E122-L304 HydrophobicContact CG-CD2 4.07Å; E122-L304 WeakPolarHBondContact OE2-CD2 3.37Å; I300-L304 HydrophobicContact CG2-CD1 3.75Å; I300-L304 HydrophobicContact CG2-CG 4.25Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 3.38Å; D301-L304 PolarHBondContact O-N 3.44Å; L304-T306 PolarHBondContact O-N 3.39Å; L304-T306 VanDerWaalsContact O-N 3.13Å; L304-M360 HydrophobicContact CD1-CE 4.38Å
305	N	96	Very high	97	Very high	46 Å²	46	31.5 Å²	31.5	25%	0.246	15%	0.153	C	C	.	.			trans	-94.6	59.5	-170.4	-66.6	-65.6	0	0	0	112.9	D301 Q307 Q308	D301-N305 VanDerWaalsContact O-CB 3.3Å; D301-N305 WeakPolarHBondContact O-CB 3.36Å; D301-N305 PolarHBondContact O-N 3.25Å; D301-N305 PolarHBondContact OD1-ND2 3.15Å; N305-Q307 PolarHBondContact O-N 2.05Å; N305-Q308 HydrophobicContact CB-CB 4.32Å; N305-Q308 CarbonylContact O-C 3.58Å; N305-Q308 PolarHBondContact O-N 3.45Å
306	T	93.4	Very high	96.8	Very high	53 Å²	53	38.7 Å²	38.7	33%	0.325	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.5	-175.8	59.7	0	0	0	0	114.6	L304 Q309	L304-T306 PolarHBondContact O-N 3.39Å; L304-T306 VanDerWaalsContact O-N 3.13Å; T306-Q309 WeakPolarHBondContact O-CG 3.37Å
307	Q	90.4	Very high	96.6	Very high	176 Å²	176	40.7 Å²	40.7	82%	0.822	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-21.4	176.5	-57.3	-56.9	-31.1	0	0	113	N305	N305-Q307 PolarHBondContact O-N 2.05Å
308	Q	89.9	Confident	96.5	Very high	97 Å²	97	42.7 Å²	42.7	45%	0.453	21%	0.213	S	C	.	.	S	Bend	trans	-113.3	51.9	-177.4	-62.5	-171.1	13	0	0	111.1	N305 S310 K363	N305-Q308 HydrophobicContact CB-CB 4.32Å; N305-Q308 CarbonylContact O-C 3.58Å; N305-Q308 PolarHBondContact O-N 3.45Å; Q308-S310 PolarHBondContact O-N 3.23Å; Q308-K363 HydrophobicContact CB-CD 3.9Å; Q308-K363 WeakPolarHBondContact O-CD 3.27Å
309	Q	93.9	Very high	96.3	Very high	30 Å²	30	47 Å²	47	14%	0.14	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-68	133.3	-178.3	-45.5	-156.8	-79.7	0	0	111.9	T306 N340 K363	T306-Q309 WeakPolarHBondContact O-CG 3.37Å; Q309-N340 PolarHBondContact NE2-ND2 3.4Å; Q309-K363 PolarHBondContact O-NZ 2.81Å
310	S	97.8	Very high	96.2	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.049	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-78.3	134.7	174.6	-71.5	0	0	0	0	111.2	Q308 L337 K363	Q308-S310 PolarHBondContact O-N 3.23Å; S310-L337 PolarHBondContact O-N 3.47Å; S310-K363 WeakPolarHBondContact OG-CA 3.4Å
311	M	97.9	Very high	96.2	Very high	35 Å²	35	47.4 Å²	47.4	17%	0.172	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.7	-178.3	-69.5	-58	-58.4	0	0	111.2	Y313 C334 K336 L354 E461	M311-Y313 HydrophobicContact CB-CE2 4.18Å; M311-Y313 WeakPolarHBondContact O-CE2 3.34Å; M311-C334 HydrophobicContact CE-CB 3.93Å; M311-C334 WeakPolarHBondContact CE-SG 3.23Å; M311-K336 HydrophobicContact SD-CG 3.91Å; M311-L354 VanDerWaalsContact O-CB 3.3Å; M311-L354 WeakPolarHBondContact O-CB 3.33Å; M311-E461 HydrophobicContact CG-CG 4.5Å
312	A	98.6	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.5	172.8	0	0	0	0	0	110.9	I253 C334 N335 M352 L354	I253-A312 HydrophobicContact CD1-CB 4.13Å; I253-A312 HydrophobicContact CG1-CB 4.36Å; I253-A312 HydrophobicContact CG2-CB 3.79Å; A312-C334 CarbonylContact O-C 3.6Å; A312-C334 WeakPolarHBondContact O-CA 3.34Å; A312-C334 WeakPolarHBondContact O-CB 3.44Å; A312-N335 PolarHBondContact N-O 2.91Å; A312-N335 PolarHBondContact O-N 2.79Å; A312-M352 HydrophobicContact CB-CB 3.91Å; A312-M352 HydrophobicContact CB-SD 4.32Å; A312-L354 HydrophobicContact CB-CD2 4.18Å
313	Y	98.6	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.9	-174.6	-60	-82.2	0	0	0	111.4	M311 C315 F321 C326 L327 C334 M352 Y353 H366 G460 E461	M311-Y313 HydrophobicContact CB-CE2 4.18Å; M311-Y313 WeakPolarHBondContact O-CE2 3.34Å; Y313-C315 PolarHBondContact O-N 3.14Å; Y313-F321 AromaticContact CD2-CE2 3.96Å; Y313-F321 HydrophobicContact CD2-CE2 3.96Å; Y313-F321 HydrophobicContact CG-CE2 4.5Å; Y313-C326 WeakPolarHBondContact CB-O 3.5Å; Y313-L327 HydrophobicContact CD1-CD2 4.32Å; Y313-L327 HydrophobicContact CD2-CD2 3.79Å; Y313-L327 HydrophobicContact CE1-CB 4.45Å; Y313-L327 HydrophobicContact CE1-CD2 4.37Å; Y313-L327 HydrophobicContact CE2-CD2 3.85Å; Y313-L327 HydrophobicContact CG-CD2 4.03Å; Y313-C334 HydrophobicContact CD1-CB 3.77Å; Y313-C334 HydrophobicContact CE1-CB 4.04Å; Y313-M352 CarbonylContact O-C 3.54Å; Y313-M352 VanDerWaalsContact O-CA 3.3Å; Y313-M352 WeakPolarHBondContact O-CA 3.38Å; Y313-Y353 PolarHBondContact N-O 2.93Å; Y313-Y353 PolarHBondContact O-N 3.22Å; Y313-H366 HydrophobicContact CE2-CB 4.18Å; Y313-H366 AromaticContact CE2-CG 3.85Å; Y313-H366 AromaticContact CE2-ND1 3.71Å; Y313-G460 WeakPolarHBondContact OH-CA 3.27Å; Y313-G460 PolarHBondContact OH-O 2.75Å; Y313-E461 PolarHBondContact OH-N 3.34Å; Y313-E461 PolarHBondContact OH-OE1 3.42Å
314	R	98.2	Very high	95.8	Very high	97 Å²	97	54.9 Å²	54.9	37%	0.366	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.6	176.1	-171.9	178.5	177.9	172.7	3.5	110.6	R333 R351 M352	R314-R333 HydrophobicContact CB-CB 4.42Å; R314-R333 WeakPolarHBondContact CB-O 3.48Å; R314-R333 PolarHBondContact N-O 3.24Å; R314-R351 WeakPolarHBondContact CA-O 3.33Å; R314-M352 HydrophobicContact CB-CE 4.37Å; R314-M352 HydrophobicContact CB-CG 4.19Å
315	C	97.3	Very high	95.7	Very high	7 Å²	7	57.5 Å²	57.5	5%	0.047	29%	0.287	C	S	.	.			trans	-146.8	157.9	-179.5	-155.8	0	0	0	0	111.2	Y313 S317 F321 C326 R351 Y353	Y313-C315 PolarHBondContact O-N 3.14Å; C315-S317 PolarHBondContact SG-O 2.94Å; C315-S317 VanDerWaalsContact SG-O 3.33Å; C315-F321 HydrophobicContact CB-CB 4.21Å; C315-F321 PolarHBondContact SG-N 3.28Å; C315-C326 VanDerWaalsContact CA-SG 3.52Å; C315-C326 HydrophobicContact CB-CB 3.44Å; C315-C326 VanDerWaalsContact CB-CB 3.44Å; C315-C326 WeakPolarHBondContact CB-SG 3.34Å; C315-C326 WeakPolarHBondContact SG-CB 3.29Å; C315-C326 CovalentContact SG-SG 2.02Å; C315-C326 PolarHBondContact SG-SG 2.7Å; C315-R351 PolarHBondContact N-O 3.39Å; C315-R351 VanDerWaalsContact N-O 3.11Å; C315-Y353 HydrophobicContact CB-CD2 3.5Å; C315-Y353 HydrophobicContact CB-CE2 3.8Å
316	N	93.6	Very high	95.8	Very high	151 Å²	151	56.3 Å²	56.3	81%	0.807	28%	0.282	S	S	*	.	S	Bend	trans	-77.7	-29.7	179.1	-67.1	-6.9	0	0	0	112.3
317	S	95.9	Very high	96	Very high	42 Å²	42	53.9 Å²	53.9	29%	0.294	27%	0.267	S	S	.	.			trans	-154.6	158.8	178.5	70.2	0	0	0	0	111.4	C315 D319 A320 F321	C315-S317 PolarHBondContact SG-O 2.94Å; C315-S317 VanDerWaalsContact SG-O 3.33Å; S317-D319 PolarHBondContact O-N 2.89Å; S317-A320 PolarHBondContact O-N 3.29Å; S317-A320 PolarHBondContact OG-N 3.4Å; S317-F321 PolarHBondContact O-N 3.3Å; S317-F321 VanDerWaalsContact O-N 3.13Å
318	K	95.5	Very high	96.3	Very high	85 Å²	85	46.6 Å²	46.6	37%	0.37	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-34.7	172.6	67.2	-178.4	-177.1	-179.8	0	112.3	F321 N322 Y353	K318-F321 WeakPolarHBondContact O-CB 3.45Å; K318-F321 PolarHBondContact O-N 3.47Å; K318-N322 WeakPolarHBondContact O-CB 3.45Å; K318-N322 VanDerWaalsContact O-CG 3.27Å; K318-N322 PolarHBondContact O-N 3.42Å; K318-N322 PolarHBondContact O-ND2 3.44Å; K318-Y353 HydrophobicContact CB-CD1 4.19Å; K318-Y353 HydrophobicContact CB-CE1 3.82Å
319	D	94.8	Very high	96.6	Very high	91 Å²	91	43.8 Å²	43.8	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-70.2	-39.5	-179.3	-53.8	-35.7	0	0	0	111.7	S317 F321 N322 K323	S317-D319 PolarHBondContact O-N 2.89Å; D319-F321 VanDerWaalsContact C-N 3.28Å; D319-F321 PolarHBondContact O-N 2.88Å; D319-N322 PolarHBondContact O-N 3.05Å; D319-K323 WeakPolarHBondContact O-CG 3.49Å; D319-K323 PolarHBondContact O-N 3.12Å; D319-K323 VanDerWaalsContact O-N 3.08Å
320	A	96.9	Very high	96.7	Very high	16 Å²	16	51.6 Å²	51.6	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-36	173.7	0	0	0	0	0	111.7	S317 K323 M325	S317-A320 PolarHBondContact O-N 3.29Å; S317-A320 PolarHBondContact OG-N 3.4Å; A320-K323 PolarHBondContact O-N 3.27Å; A320-M325 HydrophobicContact CB-CE 3.67Å; A320-M325 WeakPolarHBondContact O-CB 3.39Å; A320-M325 PolarHBondContact O-N 3.33Å; A320-M325 VanDerWaalsContact O-N 3.12Å
321	F	97.9	Very high	96.5	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-46.7	174	175.2	-102.7	0	0	0	111.9	Y313 C315 S317 K318 D319 K323 G324 C326 L327 Y353 L354 K355 H366 L416	Y313-F321 AromaticContact CD2-CE2 3.96Å; Y313-F321 HydrophobicContact CD2-CE2 3.96Å; Y313-F321 HydrophobicContact CG-CE2 4.5Å; C315-F321 HydrophobicContact CB-CB 4.21Å; C315-F321 PolarHBondContact SG-N 3.28Å; S317-F321 PolarHBondContact O-N 3.3Å; S317-F321 VanDerWaalsContact O-N 3.13Å; K318-F321 WeakPolarHBondContact O-CB 3.45Å; K318-F321 PolarHBondContact O-N 3.47Å; D319-F321 VanDerWaalsContact C-N 3.28Å; D319-F321 PolarHBondContact O-N 2.88Å; F321-K323 PolarHBondContact O-N 2.93Å; F321-G324 WeakPolarHBondContact O-CA 3.41Å; F321-G324 PolarHBondContact O-N 3.13Å; F321-C326 HydrophobicContact CD2-CB 4.47Å; F321-L327 HydrophobicContact CE2-CD2 4.12Å; F321-Y353 HydrophobicContact CB-CD2 4.39Å; F321-Y353 HydrophobicContact CB-CG 4.2Å; F321-Y353 HydrophobicContact CD1-CG 4.48Å; F321-Y353 WeakPolarHBondContact CE2-O 3.49Å; F321-Y353 HydrophobicContact CG-CG 4.22Å; F321-L354 VanDerWaalsContact CZ-CA 3.47Å; F321-K355 HydrophobicContact CE1-CD 4.42Å; F321-K355 HydrophobicContact CE1-CG 4.12Å; F321-H366 AromaticContact CZ-CD2 3.84Å; F321-L416 HydrophobicContact CD1-CD2 4.11Å; F321-L416 HydrophobicContact CE1-CD2 3.57Å; F321-L416 HydrophobicContact CE2-CD2 4.32Å; F321-L416 HydrophobicContact CZ-CD2 3.67Å
322	N	95.7	Very high	96.3	Very high	62 Å²	62	63.1 Å²	63.1	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-22.6	177.5	-70.5	-26.9	0	0	0	113	K318 D319 G324 K355 L416	K318-N322 WeakPolarHBondContact O-CB 3.45Å; K318-N322 VanDerWaalsContact O-CG 3.27Å; K318-N322 PolarHBondContact O-N 3.42Å; K318-N322 PolarHBondContact O-ND2 3.44Å; D319-N322 PolarHBondContact O-N 3.05Å; N322-G324 PolarHBondContact O-N 3.27Å; N322-K355 WeakPolarHBondContact OD1-CE 3.4Å; N322-K355 PolarHBondContact OD1-NZ 3.14Å; N322-L416 WeakPolarHBondContact O-CB 3.41Å; N322-L416 PolarHBondContact O-N 3.3Å
323	K	95.5	Very high	96.3	Very high	107 Å²	107	70 Å²	70	47%	0.465	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.9	169.1	-69.9	173.4	-178.5	-179.4	0	113.6	D319 A320 F321 M325 S414 F415	D319-K323 WeakPolarHBondContact O-CG 3.49Å; D319-K323 PolarHBondContact O-N 3.12Å; D319-K323 VanDerWaalsContact O-N 3.08Å; A320-K323 PolarHBondContact O-N 3.27Å; F321-K323 PolarHBondContact O-N 2.93Å; K323-M325 VanDerWaalsContact C-N 3.26Å; K323-M325 HydrophobicContact CB-CE 4Å; K323-M325 HydrophobicContact CB-CG 3.95Å; K323-M325 HydrophobicContact CB-SD 4.43Å; K323-M325 HydrophobicContact CD-CE 3.96Å; K323-M325 PolarHBondContact O-N 3.09Å; K323-S414 WeakPolarHBondContact CA-O 3.31Å; K323-S414 CarbonylContact O-C 3.37Å; K323-S414 VanDerWaalsContact O-C 3.3Å; K323-S414 WeakPolarHBondContact O-CB 3.35Å; K323-S414 PolarHBondContact O-OG 3.02Å; K323-F415 PolarHBondContact O-N 2.95Å
324	G	96	Very high	96.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	11.6	-178.7	0	0	0	0	0	114.6	F321 N322 C326 Q368	F321-G324 WeakPolarHBondContact O-CA 3.41Å; F321-G324 PolarHBondContact O-N 3.13Å; N322-G324 PolarHBondContact O-N 3.27Å; G324-C326 VanDerWaalsContact C-N 3.27Å; G324-C326 PolarHBondContact O-N 3.02Å; G324-Q368 WeakPolarHBondContact O-CB 3.09Å; G324-Q368 WeakPolarHBondContact O-CG 3.2Å; G324-Q368 PolarHBondContact O-NE2 3.24Å; G324-Q368 PolarHBondContact O-OE1 3.04Å
325	M	96.2	Very high	96.2	Very high	104 Å²	104	66.2 Å²	66.2	51%	0.512	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.7	-168.9	-60.7	-166.5	-74.2	0	0	114.3	A320 K323	A320-M325 HydrophobicContact CB-CE 3.67Å; A320-M325 WeakPolarHBondContact O-CB 3.39Å; A320-M325 PolarHBondContact O-N 3.33Å; A320-M325 VanDerWaalsContact O-N 3.12Å; K323-M325 VanDerWaalsContact C-N 3.26Å; K323-M325 HydrophobicContact CB-CE 4Å; K323-M325 HydrophobicContact CB-CG 3.95Å; K323-M325 HydrophobicContact CB-SD 4.43Å; K323-M325 HydrophobicContact CD-CE 3.96Å; K323-M325 PolarHBondContact O-N 3.09Å
326	C	97.4	Very high	96.3	Very high	22 Å²	22	68.9 Å²	68.9	15%	0.149	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	12.7	-166.5	-68.9	0	0	0	0	115.3	Y313 C315 F321 G324 S328	Y313-C326 WeakPolarHBondContact CB-O 3.5Å; C315-C326 VanDerWaalsContact CA-SG 3.52Å; C315-C326 HydrophobicContact CB-CB 3.44Å; C315-C326 VanDerWaalsContact CB-CB 3.44Å; C315-C326 WeakPolarHBondContact CB-SG 3.34Å; C315-C326 WeakPolarHBondContact SG-CB 3.29Å; C315-C326 CovalentContact SG-SG 2.02Å; C315-C326 PolarHBondContact SG-SG 2.7Å; F321-C326 HydrophobicContact CD2-CB 4.47Å; G324-C326 VanDerWaalsContact C-N 3.27Å; G324-C326 PolarHBondContact O-N 3.02Å; C326-S328 PolarHBondContact O-N 3.38Å
327	L	97.8	Very high	96.5	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	29%	0.294	C	S	.	.			trans	-74.9	30.6	-174	-58.6	-177.5	0	0	0	115.5	Y313 F321 H366 Q368 L416 K458 Q463	Y313-L327 HydrophobicContact CD1-CD2 4.32Å; Y313-L327 HydrophobicContact CD2-CD2 3.79Å; Y313-L327 HydrophobicContact CE1-CB 4.45Å; Y313-L327 HydrophobicContact CE1-CD2 4.37Å; Y313-L327 HydrophobicContact CE2-CD2 3.85Å; Y313-L327 HydrophobicContact CG-CD2 4.03Å; F321-L327 HydrophobicContact CE2-CD2 4.12Å; L327-H366 HydrophobicContact CD1-CB 4.18Å; L327-H366 HydrophobicContact CD2-CB 3.75Å; L327-Q368 HydrophobicContact CD1-CB 3.77Å; L327-Q368 VanDerWaalsContact CD1-N 3.34Å; L327-L416 HydrophobicContact CD1-CD1 4.01Å; L327-L416 HydrophobicContact CD2-CD1 4.15Å; L327-L416 HydrophobicContact CG-CD1 4.47Å; L327-K458 VanDerWaalsContact C-NZ 3.34Å; L327-K458 HydrophobicContact CB-CD 4.35Å; L327-K458 WeakPolarHBondContact O-CE 3.43Å; L327-K458 PolarHBondContact O-NZ 3.26Å; L327-Q463 PolarHBondContact O-NE2 3.41Å; L327-Q463 PolarHBondContact O-OE1 2.9Å
328	S	96.5	Very high	96.6	Very high	23 Å²	23	59.8 Å²	59.8	16%	0.161	28%	0.28	C	S	.	.			trans	-97	135.2	-176.2	176.1	0	0	0	0	112.3	C326 R330 R333	C326-S328 PolarHBondContact O-N 3.38Å; S328-R330 PolarHBondContact OG-N 2.75Å; S328-R333 CarbonylContact O-C 3.59Å; S328-R333 WeakPolarHBondContact O-CB 3.32Å
329	C	96.8	Very high	96.7	Very high	38 Å²	38	57.1 Å²	57.1	26%	0.257	27%	0.268	S	S	.	.			trans	-96.3	-8.3	172.9	-77.5	0	0	0	0	115.2	K331 C334 Q463	C329-K331 PolarHBondContact O-N 3.45Å; C329-C334 WeakPolarHBondContact CA-SG 3.28Å; C329-C334 HydrophobicContact CB-CB 3.97Å; C329-C334 WeakPolarHBondContact CB-SG 3.3Å; C329-C334 WeakPolarHBondContact SG-CB 3.44Å; C329-C334 CovalentContact SG-SG 2.03Å; C329-C334 PolarHBondContact SG-SG 2.89Å; C329-Q463 HydrophobicContact CB-CG 3.98Å; C329-Q463 VanDerWaalsContact N-OE1 3.14Å; C329-Q463 PolarHBondContact SG-NE2 3.44Å
330	R	95.1	Very high	96.8	Very high	194 Å²	194	54.8 Å²	54.8	73%	0.732	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58	137.5	-179.6	-63.6	-178	179.1	-174.7	-3.8	111.9	S328 N332 R333	S328-R330 PolarHBondContact OG-N 2.75Å; R330-N332 PolarHBondContact O-N 2.73Å; R330-R333 VanDerWaalsContact O-CB 3.29Å; R330-R333 WeakPolarHBondContact O-CB 3.41Å; R330-R333 VanDerWaalsContact O-CG 3.23Å; R330-R333 WeakPolarHBondContact O-CG 3.37Å; R330-R333 PolarHBondContact O-N 2.96Å
331	K	93.8	Very high	96.9	Very high	195 Å²	195	54.5 Å²	54.5	85%	0.848	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	52.3	50.2	176	-57.1	-175	177.2	-172.1	0	112.5	C329 R333	C329-K331 PolarHBondContact O-N 3.45Å; K331-R333 PolarHBondContact O-N 3.05Å; K331-R333 VanDerWaalsContact O-N 3.16Å
332	N	95.2	Very high	96.8	Very high	88 Å²	88	58.5 Å²	58.5	47%	0.471	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	58	29.7	177.8	-51.2	-32.4	0	0	0	113.9	R330 C334 V344	R330-N332 PolarHBondContact O-N 2.73Å; N332-C334 PolarHBondContact O-N 2.63Å; N332-V344 HydrophobicContact CB-CG1 4.04Å; N332-V344 HydrophobicContact CB-CG2 4.18Å
333	R	97	Very high	96.9	Very high	144 Å²	144	61 Å²	61	54%	0.543	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4	172.6	-75.1	-176.9	-178.6	-154.2	1.2	113	R314 S328 R330 K331	R314-R333 HydrophobicContact CB-CB 4.42Å; R314-R333 WeakPolarHBondContact CB-O 3.48Å; R314-R333 PolarHBondContact N-O 3.24Å; S328-R333 CarbonylContact O-C 3.59Å; S328-R333 WeakPolarHBondContact O-CB 3.32Å; R330-R333 VanDerWaalsContact O-CB 3.29Å; R330-R333 WeakPolarHBondContact O-CB 3.41Å; R330-R333 VanDerWaalsContact O-CG 3.23Å; R330-R333 WeakPolarHBondContact O-CG 3.37Å; R330-R333 PolarHBondContact O-N 2.96Å; K331-R333 PolarHBondContact O-N 3.05Å; K331-R333 VanDerWaalsContact O-N 3.16Å
334	C	97.8	Very high	96.8	Very high	15 Å²	15	57.4 Å²	57.4	10%	0.101	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.9	165.1	78.8	0	0	0	0	109.5	M311 A312 Y313 C329 N332	M311-C334 HydrophobicContact CE-CB 3.93Å; M311-C334 WeakPolarHBondContact CE-SG 3.23Å; A312-C334 CarbonylContact O-C 3.6Å; A312-C334 WeakPolarHBondContact O-CA 3.34Å; A312-C334 WeakPolarHBondContact O-CB 3.44Å; Y313-C334 HydrophobicContact CD1-CB 3.77Å; Y313-C334 HydrophobicContact CE1-CB 4.04Å; C329-C334 WeakPolarHBondContact CA-SG 3.28Å; C329-C334 HydrophobicContact CB-CB 3.97Å; C329-C334 WeakPolarHBondContact CB-SG 3.3Å; C329-C334 WeakPolarHBondContact SG-CB 3.44Å; C329-C334 CovalentContact SG-SG 2.03Å; C329-C334 PolarHBondContact SG-SG 2.89Å; N332-C334 PolarHBondContact O-N 2.63Å
335	N	98.1	Very high	96.6	Very high	3 Å²	3	65 Å²	65	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	167.2	174.9	-148.8	-21.8	0	0	0	110	I251 A312 I341 N342 M352	I251-N335 WeakPolarHBondContact CD1-ND2 3.49Å; A312-N335 PolarHBondContact N-O 2.91Å; A312-N335 PolarHBondContact O-N 2.79Å; N335-I341 HydrophobicContact CB-CG1 4.41Å; N335-I341 WeakPolarHBondContact ND2-CG1 3.45Å; N335-N342 PolarHBondContact ND2-O 3.46Å; N335-N342 WeakPolarHBondContact OD1-CB 3.47Å; N335-N342 PolarHBondContact OD1-N 3.16Å; N335-M352 HydrophobicContact CB-CE 4.04Å; N335-M352 HydrophobicContact CB-SD 3.79Å
336	K	98.1	Very high	96.3	Very high	63 Å²	63	62.8 Å²	62.8	27%	0.274	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.1	175.1	-64.7	162.9	177.1	-166	0	109.4	M311 N340 I341	M311-K336 HydrophobicContact SD-CG 3.91Å; K336-N340 HydrophobicContact CD-CB 4.2Å; K336-N340 VanDerWaalsContact CD-O 3.22Å; K336-N340 WeakPolarHBondContact CD-O 3.27Å; K336-I341 WeakPolarHBondContact O-CG1 3.47Å
337	L	98.3	Very high	95.8	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	32%	0.319	C	S	.	.	S	Bend	trans	-75.5	138.6	169.3	-179.2	148.8	0	0	0	110.1	L230 I253 P255 L298 S302 S310 L354	L230-L337 HydrophobicContact CD1-CD2 4.48Å; L230-L337 HydrophobicContact CD2-CD1 4.1Å; L230-L337 HydrophobicContact CD2-CG 4.02Å; I253-L337 HydrophobicContact CD1-CB 4.4Å; I253-L337 HydrophobicContact CD1-CG 4.48Å; I253-L337 HydrophobicContact CG2-CD1 4.26Å; P255-L337 HydrophobicContact CG-CD1 4.1Å; L298-L337 HydrophobicContact CB-CD2 3.97Å; L298-L337 HydrophobicContact CD1-CD1 4.46Å; L298-L337 WeakPolarHBondContact O-CD2 3.32Å; S302-L337 WeakPolarHBondContact CB-O 3.37Å; S310-L337 PolarHBondContact O-N 3.47Å; L337-L354 HydrophobicContact CD1-CD1 3.9Å; L337-L354 HydrophobicContact CD1-CD2 3.84Å
338	G	97.7	Very high	95.5	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	80.6	-139.4	168	0	0	0	0	0	115.2	R199 S302 N340 I341	R199-G338 PolarHBondContact NH2-O 3.3Å; S302-G338 WeakPolarHBondContact OG-CA 3.46Å; G338-N340 PolarHBondContact O-N 2.68Å; G338-I341 WeakPolarHBondContact O-CB 3.3Å; G338-I341 PolarHBondContact O-N 3.05Å
339	Y	98.1	Very high	95.3	Very high	29 Å²	29	76.3 Å²	76.3	11%	0.114	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-42.9	-163.1	-175.7	-108.1	0	0	0	114.1	Q95 F97 R123 R199 F299 S302 L303 I341	Q95-Y339 PolarHBondContact OE1-OH 2.85Å; F97-Y339 AromaticContact CE1-CE2 3.76Å; F97-Y339 HydrophobicContact CE1-CE2 3.76Å; F97-Y339 AromaticContact CZ-CE2 3.69Å; F97-Y339 HydrophobicContact CZ-CE2 3.69Å; R123-Y339 HydrophobicContact CG-CD1 4.01Å; R123-Y339 HydrophobicContact CG-CE1 3.9Å; R199-Y339 PolarHBondContact NH1-O 3.25Å; F299-Y339 HydrophobicContact CZ-CD2 4.13Å; S302-Y339 PolarHBondContact OG-N 3.37Å; L303-Y339 HydrophobicContact CD2-CD1 4.05Å; L303-Y339 HydrophobicContact CD2-CD2 3.7Å; L303-Y339 HydrophobicContact CD2-CE2 4.41Å; L303-Y339 HydrophobicContact CD2-CG 3.49Å; L303-Y339 VanDerWaalsContact CD2-CG 3.49Å; Y339-I341 VanDerWaalsContact C-N 3.25Å; Y339-I341 PolarHBondContact O-N 2.98Å
340	N	97.3	Very high	95.3	Very high	42 Å²	42	74.7 Å²	74.7	23%	0.225	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	22.1	-176.6	-76.9	-13.3	0	0	0	113.7	R123 Q309 K336 G338	R123-N340 PolarHBondContact NH2-OD1 2.89Å; Q309-N340 PolarHBondContact NE2-ND2 3.4Å; K336-N340 HydrophobicContact CD-CB 4.2Å; K336-N340 VanDerWaalsContact CD-O 3.22Å; K336-N340 WeakPolarHBondContact CD-O 3.27Å; G338-N340 PolarHBondContact O-N 2.68Å
341	I	97.9	Very high	95.4	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.051	33%	0.331	C	S	.	.			trans	-58.5	139.3	175.8	-163.6	167.7	0	0	0	111.5	F226 D228 I251 I253 N335 K336 G338 Y339 K343	F226-I341 HydrophobicContact CE1-CD1 4.37Å; F226-I341 HydrophobicContact CE1-CG2 3.63Å; F226-I341 HydrophobicContact CZ-CD1 4.17Å; F226-I341 HydrophobicContact CZ-CG1 4.44Å; F226-I341 HydrophobicContact CZ-CG2 4.23Å; D228-I341 HydrophobicContact CB-CD1 3.87Å; I251-I341 HydrophobicContact CB-CD1 4.13Å; I251-I341 HydrophobicContact CD1-CD1 3.96Å; I251-I341 HydrophobicContact CD1-CG1 4.26Å; I251-I341 HydrophobicContact CG2-CD1 4.02Å; I253-I341 HydrophobicContact CD1-CD1 4.22Å; N335-I341 HydrophobicContact CB-CG1 4.41Å; N335-I341 WeakPolarHBondContact ND2-CG1 3.45Å; K336-I341 WeakPolarHBondContact O-CG1 3.47Å; G338-I341 WeakPolarHBondContact O-CB 3.3Å; G338-I341 PolarHBondContact O-N 3.05Å; Y339-I341 VanDerWaalsContact C-N 3.25Å; Y339-I341 PolarHBondContact O-N 2.98Å; I341-K343 PolarHBondContact O-N 2.75Å
342	N	97.3	Very high	95.6	Very high	86 Å²	86	61.1 Å²	61.1	46%	0.46	29%	0.291	S	S	.	.			trans	-74.5	122.1	170.4	-62.8	-36.7	0	0	0	108.8	N335 V344	N335-N342 PolarHBondContact ND2-O 3.46Å; N335-N342 WeakPolarHBondContact OD1-CB 3.47Å; N335-N342 PolarHBondContact OD1-N 3.16Å; N342-V344 HydrophobicContact CB-CG2 4.13Å; N342-V344 PolarHBondContact O-N 2.94Å
343	K	96.5	Very high	95.8	Very high	113 Å²	113	57.2 Å²	57.2	49%	0.491	27%	0.27	S	S	.	.			trans	-71.7	61.9	-176.3	-58.8	-175.8	-177.6	-176.8	0	113	S198 F226 I341	S198-K343 PolarHBondContact OG-NZ 2.76Å; F226-K343 HydrophobicContact CB-CB 4.3Å; F226-K343 HydrophobicContact CB-CD 4.22Å; F226-K343 HydrophobicContact CB-CG 4.3Å; F226-K343 HydrophobicContact CD1-CB 4.15Å; F226-K343 HydrophobicContact CD1-CD 4.42Å; F226-K343 HydrophobicContact CD1-CG 3.8Å; F226-K343 HydrophobicContact CD2-CB 3.86Å; F226-K343 HydrophobicContact CD2-CG 4.42Å; F226-K343 HydrophobicContact CE1-CB 4.47Å; F226-K343 HydrophobicContact CE1-CG 4.21Å; F226-K343 HydrophobicContact CE2-CB 4.22Å; F226-K343 HydrophobicContact CG-CB 3.83Å; F226-K343 HydrophobicContact CG-CD 4.37Å; F226-K343 HydrophobicContact CG-CG 3.9Å; I341-K343 PolarHBondContact O-N 2.75Å
344	V	94.8	Very high	95.9	Very high	33 Å²	33	50.4 Å²	50.4	20%	0.2	24%	0.244	C	C	.	.			trans	-84.9	122	-177.5	179.8	0	0	0	0	110	N332 N342 T346	N332-V344 HydrophobicContact CB-CG1 4.04Å; N332-V344 HydrophobicContact CB-CG2 4.18Å; N342-V344 HydrophobicContact CB-CG2 4.13Å; N342-V344 PolarHBondContact O-N 2.94Å; V344-T346 HydrophobicContact CG1-CG2 4.26Å
345	R	91.9	Very high	95.9	Very high	159 Å²	159	52.1 Å²	52.1	60%	0.6	25%	0.25	S	S	*	.			trans	-103.5	130	176.9	-56.8	178.5	74.5	-174.4	4.6	110	Q225 F226 H250	Q225-R345 VanDerWaalsContact O-CD 3.31Å; Q225-R345 WeakPolarHBondContact O-CD 3.48Å; Q225-R345 VanDerWaalsContact O-CZ 3.27Å; Q225-R345 PolarHBondContact O-NE 3.14Å; Q225-R345 VanDerWaalsContact O-NE 3.1Å; F226-R345 HydrophobicContact CD2-CG 4.37Å; H250-R345 PolarHBondContact NE2-NE 3.36Å
346	T	89.1	Confident	95.9	Very high	58 Å²	58	52.5 Å²	52.5	36%	0.356	25%	0.253	S	S	.	.			trans	-129.7	157.8	176.9	49.4	0	0	0	0	111	V344 R348	V344-T346 HydrophobicContact CG1-CG2 4.26Å; T346-R348 PolarHBondContact O-N 2.57Å; T346-R348 VanDerWaalsContact O-N 3.09Å; T346-R348 PolarHBondContact OG1-O 3.38Å
347	A	87.7	Confident	95.9	Very high	93 Å²	93	52.5 Å²	52.5	77%	0.769	25%	0.251	S	S	*	.	S	Bend	trans	-58.1	-25.6	-179.3	0	0	0	0	0	114.1	R221	R221-A347 PolarHBondContact NH1-O 2.85Å
348	R	90.5	Very high	95.7	Very high	204 Å²	204	56.3 Å²	56.3	77%	0.77	27%	0.271	S	S	*	.	S	Bend	trans	-124.9	151	173.7	-61.2	-176.4	-177	-178.5	-0.2	109.5	T346	T346-R348 PolarHBondContact O-N 2.57Å; T346-R348 VanDerWaalsContact O-N 3.09Å; T346-R348 PolarHBondContact OG1-O 3.38Å
349	S	92.9	Very high	95.4	Very high	33 Å²	33	61.8 Å²	61.8	23%	0.231	30%	0.298	C	S	.	.			trans	-59.2	140.6	174.5	-55.4	0	0	0	0	111.9	G249 D252	G249-S349 VanDerWaalsContact O-CB 3.3Å; G249-S349 WeakPolarHBondContact O-CB 3.42Å; G249-S349 PolarHBondContact O-OG 3.06Å; D252-S349 WeakPolarHBondContact OD2-CB 3.41Å
350	A	95.9	Very high	95.3	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.9	-178.6	0	0	0	0	0	110.9	H250 D252 M352	H250-A350 PolarHBondContact O-N 3.14Å; D252-A350 PolarHBondContact N-O 3.28Å; A350-M352 HydrophobicContact CB-CE 4.02Å; A350-M352 PolarHBondContact O-N 3.08Å
351	R	97.9	Very high	95.3	Very high	100 Å²	100	64.3 Å²	64.3	38%	0.377	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.7	171.2	-57.5	-179.9	79.3	177	8.5	110.4	D252 Y254 R314 C315 Y353	D252-R351 CarbonylContact O-C 3.59Å; D252-R351 WeakPolarHBondContact O-CA 3.29Å; Y254-R351 HydrophobicContact CE2-CB 4.2Å; Y254-R351 HydrophobicContact CE2-CG 4.14Å; R314-R351 WeakPolarHBondContact CA-O 3.33Å; C315-R351 PolarHBondContact N-O 3.39Å; C315-R351 VanDerWaalsContact N-O 3.11Å; R351-Y353 HydrophobicContact CB-CE2 4.35Å
352	M	98.6	Very high	95.3	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.1	179.8	-54.7	-159.8	179.5	0	0	111.5	I251 D252 I253 Y254 A312 Y313 R314 N335 A350	I251-M352 HydrophobicContact CD1-CE 4.27Å; I251-M352 HydrophobicContact CG2-CE 4.02Å; I251-M352 HydrophobicContact CG2-CG 4.14Å; I251-M352 HydrophobicContact CG2-SD 3.95Å; D252-M352 PolarHBondContact O-N 2.72Å; I253-M352 CarbonylContact C-O 3.59Å; I253-M352 WeakPolarHBondContact CA-O 3.48Å; I253-M352 HydrophobicContact CG1-CB 4.36Å; Y254-M352 PolarHBondContact N-O 3.29Å; A312-M352 HydrophobicContact CB-CB 3.91Å; A312-M352 HydrophobicContact CB-SD 4.32Å; Y313-M352 CarbonylContact O-C 3.54Å; Y313-M352 VanDerWaalsContact O-CA 3.3Å; Y313-M352 WeakPolarHBondContact O-CA 3.38Å; R314-M352 HydrophobicContact CB-CE 4.37Å; R314-M352 HydrophobicContact CB-CG 4.19Å; N335-M352 HydrophobicContact CB-CE 4.04Å; N335-M352 HydrophobicContact CB-SD 3.79Å; A350-M352 HydrophobicContact CB-CE 4.02Å; A350-M352 PolarHBondContact O-N 3.08Å
353	Y	98.8	Very high	95.3	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.9	-176.4	-58.5	-91.1	0	0	0	110.3	Y254 Y313 C315 K318 F321 R351	Y254-Y353 HydrophobicContact CD2-CE1 4.31Å; Y254-Y353 HydrophobicContact CG-CE1 4.11Å; Y313-Y353 PolarHBondContact N-O 2.93Å; Y313-Y353 PolarHBondContact O-N 3.22Å; C315-Y353 HydrophobicContact CB-CD2 3.5Å; C315-Y353 HydrophobicContact CB-CE2 3.8Å; K318-Y353 HydrophobicContact CB-CD1 4.19Å; K318-Y353 HydrophobicContact CB-CE1 3.82Å; F321-Y353 HydrophobicContact CB-CD2 4.39Å; F321-Y353 HydrophobicContact CB-CG 4.2Å; F321-Y353 HydrophobicContact CD1-CG 4.48Å; F321-Y353 WeakPolarHBondContact CE2-O 3.49Å; F321-Y353 HydrophobicContact CG-CG 4.22Å; R351-Y353 HydrophobicContact CB-CE2 4.35Å
354	L	98.7	Very high	95.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	167.4	169	70.4	162.5	0	0	0	109.1	I253 P255 N256 M311 A312 F321 L337 T356	I253-L354 HydrophobicContact CG2-CD2 3.37Å; P255-L354 HydrophobicContact CB-CD2 4.07Å; P255-L354 HydrophobicContact CG-CD2 3.99Å; N256-L354 WeakPolarHBondContact CA-O 3.11Å; N256-L354 PolarHBondContact N-O 3.41Å; M311-L354 VanDerWaalsContact O-CB 3.3Å; M311-L354 WeakPolarHBondContact O-CB 3.33Å; A312-L354 HydrophobicContact CB-CD2 4.18Å; F321-L354 VanDerWaalsContact CZ-CA 3.47Å; L337-L354 HydrophobicContact CD1-CD1 3.9Å; L337-L354 HydrophobicContact CD1-CD2 3.84Å; L354-T356 HydrophobicContact CD1-CG2 3.99Å; L354-T356 HydrophobicContact CG-CG2 4.19Å
355	K	98.3	Very high	95.5	Very high	52 Å²	52	57.2 Å²	57.2	23%	0.226	28%	0.277	C	S	.	.			trans	-101	159.7	160.7	-65.5	-60.8	-172.1	171.9	0	109.4	N256 F321 N322 V364 H366 L416 T418	N256-K355 WeakPolarHBondContact OD1-CA 3.43Å; F321-K355 HydrophobicContact CE1-CD 4.42Å; F321-K355 HydrophobicContact CE1-CG 4.12Å; N322-K355 WeakPolarHBondContact OD1-CE 3.4Å; N322-K355 PolarHBondContact OD1-NZ 3.14Å; K355-V364 HydrophobicContact CB-CG2 3.95Å; K355-V364 VanDerWaalsContact O-CG2 3.25Å; K355-V364 WeakPolarHBondContact O-CG2 3.38Å; K355-H366 PolarHBondContact N-NE2 3.47Å; K355-L416 HydrophobicContact CG-CD2 4.14Å; K355-T418 HydrophobicContact CB-CG2 3.87Å; K355-T418 HydrophobicContact CG-CG2 3.88Å
356	T	98.3	Very high	95.8	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	25%	0.248	C	C	.	.			trans	-138.5	165.5	175.6	71.3	0	0	0	0	110.3	P255 N256 L298 L354 Y362	P255-T356 HydrophobicContact CB-CG2 4.24Å; N256-T356 PolarHBondContact ND2-OG1 2.85Å; N256-T356 PolarHBondContact OD1-N 2.93Å; L298-T356 HydrophobicContact CD2-CG2 3.86Å; L354-T356 HydrophobicContact CD1-CG2 3.99Å; L354-T356 HydrophobicContact CG-CG2 4.19Å; T356-Y362 WeakPolarHBondContact CA-O 3.34Å
357	R	96.5	Very high	96.2	Very high	63 Å²	63	47.1 Å²	47.1	24%	0.238	23%	0.232	C	C	.	.			trans	-70.8	168.8	163.7	-62.4	171.6	68.1	-145.6	1.2	110.8	R294 P361 Y362 K363 V364 D420	R294-R357 PolarHBondContact NH1-O 3.04Å; R357-P361 VanDerWaalsContact CD-O 3.32Å; R357-P361 WeakPolarHBondContact CD-O 3.5Å; R357-P361 PolarHBondContact NH1-O 3.33Å; R357-Y362 PolarHBondContact N-O 3.19Å; R357-K363 WeakPolarHBondContact CD-O 3.45Å; R357-V364 HydrophobicContact CG-CG1 3.6Å; R357-D420 HydrophobicContact CG-CB 4.06Å; R357-D420 IonicContact NE-OD2 3.93Å
358	D	94.4	Very high	96.7	Very high	82 Å²	82	43.9 Å²	43.9	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-77.2	-25.1	171.5	57	-8.6	0	0	0	113.1	P262 R294	P262-D358 HydrophobicContact CB-CB 3.95Å; P262-D358 WeakPolarHBondContact O-CA 3.39Å; R294-D358 VanDerWaalsContact CZ-O 3.24Å; R294-D358 PolarHBondContact NH1-O 3.44Å; R294-D358 PolarHBondContact NH2-O 3.17Å
359	M	93.1	Very high	97.1	Very high	114 Å²	114	34.1 Å²	34.1	56%	0.562	16%	0.164	S	C	*	.	S	Bend	trans	-131.4	157.6	178.1	69.3	-172.6	-48	0	0	113.6	P361 Y362	M359-P361 CarbonylContact O-C 3.52Å; M359-Y362 VanDerWaalsContact O-CD1 3.28Å; M359-Y362 WeakPolarHBondContact O-CD1 3.25Å
360	M	95.1	Very high	97.3	Very high	83 Å²	83	36.4 Å²	36.4	41%	0.409	17%	0.17	S	C	.	.	S	Bend	trans	-71.4	142.4	179.2	-166.5	172.4	68.6	0	0	110.5	D301 L304 Y362	D301-M360 HydrophobicContact CB-CG 4.04Å; D301-M360 HydrophobicContact CB-SD 3.97Å; D301-M360 VanDerWaalsContact OD1-CG 3.28Å; D301-M360 WeakPolarHBondContact OD1-CG 3.41Å; L304-M360 HydrophobicContact CD1-CE 4.38Å; M360-Y362 HydrophobicContact CB-CD2 4.24Å; M360-Y362 HydrophobicContact CB-CE1 4.26Å; M360-Y362 HydrophobicContact CB-CE2 3.77Å; M360-Y362 HydrophobicContact CG-CD2 4.25Å; M360-Y362 HydrophobicContact CG-CE2 4.02Å
361	P	96.8	Very high	97.3	Very high	42 Å²	42	36.2 Å²	36.2	27%	0.273	17%	0.168	S	C	.	.	S	Bend	cis	-68.2	136.8	-4.8	27.8	-34.6	0	0	0	112.2	D301 R357 M359 K363	D301-P361 WeakPolarHBondContact OD1-CA 3.23Å; R357-P361 VanDerWaalsContact CD-O 3.32Å; R357-P361 WeakPolarHBondContact CD-O 3.5Å; R357-P361 PolarHBondContact NH1-O 3.33Å; M359-P361 CarbonylContact O-C 3.52Å; P361-K363 PolarHBondContact O-N 3.37Å
362	Y	97.6	Very high	97.2	Very high	17 Å²	17	34 Å²	34	7%	0.067	16%	0.163	C	C	.	.			trans	-85.2	-8.6	-166.2	-67.1	-62.7	0	0	0	115.2	H297 L298 D301 T356 R357 M359 M360	H297-Y362 HydrophobicContact CB-CE2 4Å; H297-Y362 WeakPolarHBondContact CB-OH 2.98Å; H297-Y362 WeakPolarHBondContact O-CE2 3.39Å; L298-Y362 HydrophobicContact CD2-CD1 4.48Å; L298-Y362 HydrophobicContact CD2-CD2 3.65Å; L298-Y362 HydrophobicContact CD2-CE2 4.4Å; L298-Y362 HydrophobicContact CD2-CG 3.7Å; L298-Y362 HydrophobicContact CG-CD2 4.41Å; D301-Y362 HydrophobicContact CB-CD2 3.51Å; D301-Y362 HydrophobicContact CB-CE2 3.98Å; D301-Y362 PolarHBondContact OD1-N 2.89Å; D301-Y362 PolarHBondContact OD2-N 3.21Å; T356-Y362 WeakPolarHBondContact CA-O 3.34Å; R357-Y362 PolarHBondContact N-O 3.19Å; M359-Y362 VanDerWaalsContact O-CD1 3.28Å; M359-Y362 WeakPolarHBondContact O-CD1 3.25Å; M360-Y362 HydrophobicContact CB-CD2 4.24Å; M360-Y362 HydrophobicContact CB-CE1 4.26Å; M360-Y362 HydrophobicContact CB-CE2 3.77Å; M360-Y362 HydrophobicContact CG-CD2 4.25Å; M360-Y362 HydrophobicContact CG-CE2 4.02Å
363	K	97.8	Very high	97.1	Very high	40 Å²	40	34 Å²	34	17%	0.174	16%	0.162	C	C	.	.			trans	-58.2	140.3	-175.2	177.1	170.4	-179.6	146.2	0	112.5	Q308 Q309 S310 R357 P361	Q308-K363 HydrophobicContact CB-CD 3.9Å; Q308-K363 WeakPolarHBondContact O-CD 3.27Å; Q309-K363 PolarHBondContact O-NZ 2.81Å; S310-K363 WeakPolarHBondContact OG-CA 3.4Å; R357-K363 WeakPolarHBondContact CD-O 3.45Å; P361-K363 PolarHBondContact O-N 3.37Å
364	V	97.8	Very high	96.9	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	18%	0.175	C	C	.	.			trans	-134.9	158.4	164.3	-59.3	0	0	0	0	109.9	K355 R357 H366 T418 T419	K355-V364 HydrophobicContact CB-CG2 3.95Å; K355-V364 VanDerWaalsContact O-CG2 3.25Å; K355-V364 WeakPolarHBondContact O-CG2 3.38Å; R357-V364 HydrophobicContact CG-CG1 3.6Å; V364-H366 PolarHBondContact O-ND1 2.78Å; V364-T418 HydrophobicContact CG2-CG2 4.19Å; V364-T419 CarbonylContact C-O 3.53Å; V364-T419 WeakPolarHBondContact CA-O 3.44Å; V364-T419 WeakPolarHBondContact CB-O 3.4Å
365	F	97.9	Very high	96.5	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.123	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.7	170.5	-63.9	-90.1	0	0	0	110.3	Y367 T418 T419 V421 D422 E461	F365-Y367 HydrophobicContact CB-CD2 4.44Å; F365-Y367 HydrophobicContact CB-CE2 3.56Å; F365-T418 WeakPolarHBondContact O-CA 3.37Å; F365-T419 HydrophobicContact CB-CG2 4.36Å; F365-T419 PolarHBondContact N-O 3.44Å; F365-T419 PolarHBondContact O-N 3.01Å; F365-T419 VanDerWaalsContact O-N 3.16Å; F365-V421 WeakPolarHBondContact CD2-O 3.36Å; F365-D422 HydrophobicContact CE2-CB 3.81Å; F365-D422 HydrophobicContact CZ-CB 3.7Å; F365-E461 WeakPolarHBondContact CA-OE2 3.3Å; F365-E461 HydrophobicContact CD1-CB 4.02Å; F365-E461 HydrophobicContact CD1-CG 3.82Å; F365-E461 HydrophobicContact CE1-CB 4.41Å; F365-E461 HydrophobicContact CE1-CG 4.35Å
366	H	98.4	Very high	96.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.6	-173.9	-61.1	82.3	0	0	0	110.9	Y313 F321 L327 K355 V364 L416 G460 E461	Y313-H366 HydrophobicContact CE2-CB 4.18Å; Y313-H366 AromaticContact CE2-CG 3.85Å; Y313-H366 AromaticContact CE2-ND1 3.71Å; F321-H366 AromaticContact CZ-CD2 3.84Å; L327-H366 HydrophobicContact CD1-CB 4.18Å; L327-H366 HydrophobicContact CD2-CB 3.75Å; K355-H366 PolarHBondContact N-NE2 3.47Å; V364-H366 PolarHBondContact O-ND1 2.78Å; H366-L416 HydrophobicContact CB-CD1 4.12Å; H366-G460 PolarHBondContact O-N 3.15Å; H366-E461 IonicContact CE1-OE1 3.72Å; H366-E461 IonicContact CG-OE1 2.81Å; H366-E461 PolarHBondContact N-OE1 3.15Å; H366-E461 PolarHBondContact N-OE2 2.92Å; H366-E461 IonicContact ND1-OE1 3.75Å; H366-E461 PolarHBondContact ND1-OE1 2.97Å
367	Y	98.3	Very high	95.5	Very high	4 Å²	4	48 Å²	48	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.8	177.9	-57.7	-91.8	0	0	0	110.7	F365 L390 L416 I417 T419 L426 I457 K458 C459	F365-Y367 HydrophobicContact CB-CD2 4.44Å; F365-Y367 HydrophobicContact CB-CE2 3.56Å; Y367-L390 HydrophobicContact CD2-CD1 4.11Å; Y367-L390 HydrophobicContact CE2-CD1 4.21Å; Y367-L390 HydrophobicContact CG-CD1 4.5Å; Y367-L416 WeakPolarHBondContact O-CA 3.1Å; Y367-I417 PolarHBondContact N-O 2.93Å; Y367-I417 PolarHBondContact O-N 2.73Å; Y367-T419 HydrophobicContact CD2-CG2 4.35Å; Y367-T419 HydrophobicContact CE2-CG2 3.68Å; Y367-L426 HydrophobicContact CD1-CD1 3.78Å; Y367-L426 HydrophobicContact CE1-CD1 3.62Å; Y367-L426 HydrophobicContact CE1-CG 4.27Å; Y367-I457 HydrophobicContact CD1-CG2 4.06Å; Y367-K458 CarbonylContact C-O 3.55Å; Y367-K458 WeakPolarHBondContact CA-O 3.38Å; Y367-C459 HydrophobicContact CD1-CB 3.87Å; Y367-C459 HydrophobicContact CE1-CB 3.71Å
368	Q	98.3	Very high	95.1	Very high	24 Å²	24	54.9 Å²	54.9	11%	0.112	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.4	164.9	171.7	179.4	47	0	0	108.1	G324 L327 K370 S414 I457 K458	G324-Q368 WeakPolarHBondContact O-CB 3.09Å; G324-Q368 WeakPolarHBondContact O-CG 3.2Å; G324-Q368 PolarHBondContact O-NE2 3.24Å; G324-Q368 PolarHBondContact O-OE1 3.04Å; L327-Q368 HydrophobicContact CD1-CB 3.77Å; L327-Q368 VanDerWaalsContact CD1-N 3.34Å; Q368-K370 HydrophobicContact CG-CG 4.23Å; Q368-S414 PolarHBondContact NE2-OG 2.84Å; Q368-I457 CarbonylContact O-C 3.13Å; Q368-I457 VanDerWaalsContact O-CA 3.24Å; Q368-I457 WeakPolarHBondContact O-CA 3.29Å; Q368-K458 HydrophobicContact CB-CB 4.26Å; Q368-K458 PolarHBondContact N-O 3.25Å; Q368-K458 PolarHBondContact O-N 2.98Å
369	V	97.4	Very high	94.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.7	171.4	-177.7	0	0	0	0	108.7	S414 F415 I417 I457	V369-S414 WeakPolarHBondContact O-CA 3.44Å; V369-F415 HydrophobicContact CB-CD2 3.95Å; V369-F415 HydrophobicContact CB-CE2 3.43Å; V369-F415 VanDerWaalsContact CB-CE2 3.43Å; V369-F415 HydrophobicContact CB-CZ 3.84Å; V369-F415 HydrophobicContact CG1-CE1 4.46Å; V369-F415 HydrophobicContact CG1-CE2 3.7Å; V369-F415 HydrophobicContact CG1-CZ 3.61Å; V369-F415 HydrophobicContact CG2-CE2 4.07Å; V369-F415 PolarHBondContact N-O 2.93Å; V369-F415 PolarHBondContact O-N 2.77Å; V369-I417 HydrophobicContact CG2-CD1 3.63Å; V369-I417 HydrophobicContact CG2-CG1 3.99Å; V369-I457 HydrophobicContact CG1-CG1 4.35Å; V369-I457 HydrophobicContact CG2-CD1 4.18Å; V369-I457 HydrophobicContact CG2-CG1 4.17Å; V369-I457 HydrophobicContact CG2-CG2 4.49Å
370	K	97.3	Very high	94.6	Very high	80 Å²	80	51.4 Å²	51.4	35%	0.348	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.7	171	-64.5	-166.7	178.2	-164.5	0	110.5	Q368 S413 S414 R456	Q368-K370 HydrophobicContact CG-CG 4.23Å; K370-S413 WeakPolarHBondContact CA-O 3.39Å; K370-S414 WeakPolarHBondContact CE-OG 3.4Å; K370-R456 HydrophobicContact CB-CB 4.3Å; K370-R456 PolarHBondContact N-O 3.44Å; K370-R456 PolarHBondContact O-N 2.7Å
371	A	96.3	Very high	94.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.1	178.5	0	0	0	0	0	109.9	F373 T412 S413 L452 L455	A371-F373 HydrophobicContact CB-CD2 4.45Å; A371-F373 HydrophobicContact CB-CE2 3.74Å; A371-F373 HydrophobicContact CB-CZ 3.86Å; A371-T412 CarbonylContact O-C 3.59Å; A371-T412 VanDerWaalsContact O-CA 3.32Å; A371-T412 WeakPolarHBondContact O-CA 3.2Å; A371-S413 PolarHBondContact N-O 3.24Å; A371-S413 VanDerWaalsContact N-O 3.07Å; A371-S413 PolarHBondContact O-N 2.68Å; A371-L452 HydrophobicContact CB-CD2 3.82Å; A371-L455 HydrophobicContact CB-CD2 3.66Å
372	H	96.4	Very high	94	Very high	55 Å²	55	51.4 Å²	51.4	26%	0.255	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.5	169	-171.4	101.3	0	0	0	108.4	F374 N410 S411 T412	H372-F374 HydrophobicContact CB-CE2 4.2Å; H372-F374 HydrophobicContact CB-CZ 4.45Å; H372-F374 AromaticContact CD2-CD1 3.53Å; H372-F374 AromaticContact CD2-CD2 3.6Å; H372-F374 AromaticContact CD2-CE1 3.29Å; H372-F374 WeakPolarHBondContact CD2-CE1 3.47Å; H372-F374 AromaticContact CD2-CE2 3.36Å; H372-F374 WeakPolarHBondContact CD2-CE2 3.46Å; H372-F374 AromaticContact CD2-CG 3.68Å; H372-F374 AromaticContact CD2-CZ 3.2Å; H372-F374 WeakPolarHBondContact CD2-CZ 3.32Å; H372-F374 AromaticContact CG-CZ 3.92Å; H372-F374 AromaticContact NE2-CD1 3.58Å; H372-F374 AromaticContact NE2-CE1 3.35Å; H372-F374 WeakPolarHBondContact NE2-CE1 3.48Å; H372-F374 AromaticContact NE2-CZ 3.74Å; H372-N410 VanDerWaalsContact CE1-C 3.49Å; H372-N410 PolarHBondContact CE1-O 3.18Å; H372-N410 VanDerWaalsContact CE1-O 3.27Å; H372-S411 CarbonylContact C-O 3.37Å; H372-S411 WeakPolarHBondContact CA-O 3.42Å; H372-T412 PolarHBondContact ND1-OG1 3.16Å
373	F	94.9	Very high	93.6	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	102.8	-175.1	-64.9	-89	0	0	0	109.1	A371 L404 L407 N410 S411 F450 L452 L478	A371-F373 HydrophobicContact CB-CD2 4.45Å; A371-F373 HydrophobicContact CB-CE2 3.74Å; A371-F373 HydrophobicContact CB-CZ 3.86Å; F373-L404 HydrophobicContact CZ-CD1 4.24Å; F373-L407 HydrophobicContact CB-CD1 4.33Å; F373-L407 HydrophobicContact CD1-CD1 3.51Å; F373-L407 HydrophobicContact CD2-CD1 3.77Å; F373-L407 HydrophobicContact CE1-CD1 3.58Å; F373-L407 HydrophobicContact CE2-CD1 3.86Å; F373-L407 HydrophobicContact CG-CD1 3.59Å; F373-L407 HydrophobicContact CZ-CD1 3.75Å; F373-N410 VanDerWaalsContact O-CA 3.22Å; F373-N410 WeakPolarHBondContact O-CA 3.46Å; F373-N410 PolarHBondContact O-N 3.48Å; F373-S411 PolarHBondContact N-O 3.41Å; F373-S411 PolarHBondContact O-N 2.9Å; F373-F450 HydrophobicContact CB-CB 4.37Å; F373-F450 HydrophobicContact CB-CD1 3.85Å; F373-F450 HydrophobicContact CB-CE1 4.45Å; F373-F450 HydrophobicContact CB-CG 4.19Å; F373-F450 HydrophobicContact CD1-CB 4.11Å; F373-F450 HydrophobicContact CD1-CG 4.29Å; F373-L452 HydrophobicContact CD1-CD1 3.74Å; F373-L452 HydrophobicContact CD1-CD2 4.26Å; F373-L452 HydrophobicContact CD1-CG 4.11Å; F373-L452 HydrophobicContact CE1-CD1 4Å; F373-L452 HydrophobicContact CE1-CD2 3.9Å; F373-L452 HydrophobicContact CE1-CG 4.25Å; F373-L452 HydrophobicContact CZ-CD2 4.37Å; F373-L478 HydrophobicContact CD1-CD2 4.43Å; F373-L478 HydrophobicContact CE1-CD2 3.85Å
374	F	94.6	Very high	93.2	Very high	65 Å²	65	55.9 Å²	55.9	29%	0.285	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-87.7	141.6	177.2	-62.1	-85.3	0	0	0	110.4	H372 N410 F450 H451 R453 F475	H372-F374 HydrophobicContact CB-CE2 4.2Å; H372-F374 HydrophobicContact CB-CZ 4.45Å; H372-F374 AromaticContact CD2-CD1 3.53Å; H372-F374 AromaticContact CD2-CD2 3.6Å; H372-F374 AromaticContact CD2-CE1 3.29Å; H372-F374 WeakPolarHBondContact CD2-CE1 3.47Å; H372-F374 AromaticContact CD2-CE2 3.36Å; H372-F374 WeakPolarHBondContact CD2-CE2 3.46Å; H372-F374 AromaticContact CD2-CG 3.68Å; H372-F374 AromaticContact CD2-CZ 3.2Å; H372-F374 WeakPolarHBondContact CD2-CZ 3.32Å; H372-F374 AromaticContact CG-CZ 3.92Å; H372-F374 AromaticContact NE2-CD1 3.58Å; H372-F374 AromaticContact NE2-CE1 3.35Å; H372-F374 WeakPolarHBondContact NE2-CE1 3.48Å; H372-F374 AromaticContact NE2-CZ 3.74Å; F374-N410 WeakPolarHBondContact CA-OD1 3.31Å; F374-F450 WeakPolarHBondContact O-CA 3.5Å; F374-H451 WeakPolarHBondContact CB-CE1 3.31Å; F374-H451 WeakPolarHBondContact CB-ND1 3.41Å; F374-H451 WeakPolarHBondContact CB-NE2 3.27Å; F374-H451 WeakPolarHBondContact CB-O 3.47Å; F374-H451 WeakPolarHBondContact CD2-O 3.12Å; F374-H451 AromaticContact CG-CE1 3.99Å; F374-H451 PolarHBondContact N-O 3.11Å; F374-H451 PolarHBondContact O-CD2 2.95Å; F374-H451 PolarHBondContact O-N 2.82Å; F374-R453 HydrophobicContact CE2-CB 4.31Å; F374-F475 HydrophobicContact CD2-CE1 4.04Å; F374-F475 HydrophobicContact CE2-CE1 4.31Å
375	S	92.3	Very high	93	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.049	28%	0.281	C	S	.	.			trans	-148.8	146.6	168.9	-174.8	0	0	0	0	110	D377 N410	S375-D377 WeakPolarHBondContact CB-O 3.26Å; S375-D377 PolarHBondContact OG-N 3.17Å; S375-D377 PolarHBondContact OG-O 2.82Å; S375-D377 VanDerWaalsContact OG-O 3.09Å; S375-N410 PolarHBondContact N-OD1 3.43Å; S375-N410 PolarHBondContact O-ND2 2.97Å; S375-N410 VanDerWaalsContact O-ND2 3.11Å; S375-N410 PolarHBondContact O-OD1 3Å
376	K	88.4	Confident	92.8	Very high	197 Å²	197	55.5 Å²	55.5	86%	0.857	28%	0.275	S	S	*	.	S	Bend	trans	-72.9	-38.2	172.3	-67.9	-173.1	178	-175.5	0	111.2
377	D	86.9	Confident	92.7	Very high	95 Å²	95	57.9 Å²	57.9	51%	0.508	29%	0.286	S	S	.	.	S	Bend	trans	-92.6	141	-179.6	-46.4	-51.2	0	0	0	109.8	S375 Q379	S375-D377 WeakPolarHBondContact CB-O 3.26Å; S375-D377 PolarHBondContact OG-N 3.17Å; S375-D377 PolarHBondContact OG-O 2.82Å; S375-D377 VanDerWaalsContact OG-O 3.09Å; D377-Q379 HydrophobicContact CB-CG 4.04Å; D377-Q379 PolarHBondContact O-N 3.45Å
378	K	86.9	Confident	92.6	Very high	207 Å²	207	57.7 Å²	57.7	90%	0.9	29%	0.285	S	S	*	.			trans	-72.9	99	175.1	-167.1	176.6	-178	-178	0	109	S409	K378-S409 WeakPolarHBondContact CA-OG 3.42Å
379	Q	87.6	Confident	92.6	Very high	39 Å²	39	56.7 Å²	56.7	18%	0.182	28%	0.281	C	S	.	.			trans	-125.1	148.8	180	-58.4	-178.7	49.6	0	0	109.9	D377 F381 S409 S448	D377-Q379 HydrophobicContact CB-CG 4.04Å; D377-Q379 PolarHBondContact O-N 3.45Å; Q379-F381 HydrophobicContact CB-CE2 3.83Å; Q379-F381 HydrophobicContact CB-CZ 4.28Å; Q379-S409 PolarHBondContact N-OG 3.25Å; Q379-S409 VanDerWaalsContact N-OG 3.16Å; Q379-S409 WeakPolarHBondContact O-CB 3.19Å; Q379-S409 PolarHBondContact O-N 3.2Å; Q379-S409 PolarHBondContact O-OG 2.95Å; Q379-S448 PolarHBondContact OE1-OG 3.34Å; Q379-S448 VanDerWaalsContact OE1-OG 3.09Å
380	S	89.6	Confident	92.6	Very high	84 Å²	84	56.7 Å²	56.7	59%	0.587	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	129.5	179.7	179	0	0	0	0	108.5	D408	S380-D408 VanDerWaalsContact CB-OD1 3.31Å; S380-D408 WeakPolarHBondContact CB-OD1 3.29Å; S380-D408 PolarHBondContact OG-OD1 3.41Å
381	F	89.4	Confident	92.7	Very high	41 Å²	41	54.6 Å²	54.6	18%	0.18	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.9	178.8	-57.9	-84	0	0	0	110.1	Q379 Q384 S406 L407 W433 S448 F450	Q379-F381 HydrophobicContact CB-CE2 3.83Å; Q379-F381 HydrophobicContact CB-CZ 4.28Å; F381-Q384 HydrophobicContact CB-CG 3.34Å; F381-Q384 HydrophobicContact CG-CG 4.31Å; F381-S406 CarbonylContact O-C 3.47Å; F381-S406 WeakPolarHBondContact O-CA 3.34Å; F381-L407 HydrophobicContact CB-CB 4.43Å; F381-L407 PolarHBondContact N-O 3.33Å; F381-L407 PolarHBondContact O-N 3.15Å; F381-W433 AromaticContact CD2-CH2 3.94Å; F381-W433 HydrophobicContact CD2-CH2 3.94Å; F381-W433 HydrophobicContact CD2-CZ2 4.05Å; F381-W433 AromaticContact CE2-CH2 3.78Å; F381-W433 HydrophobicContact CE2-CH2 3.78Å; F381-W433 HydrophobicContact CE2-CZ2 4.27Å; F381-W433 HydrophobicContact CG-CZ2 4.29Å; F381-W433 HydrophobicContact CZ-CH2 4.31Å; F381-S448 VanDerWaalsContact CZ-OG 3.27Å; F381-S448 WeakPolarHBondContact CZ-OG 3.37Å; F381-F450 HydrophobicContact CD2-CE2 4.01Å; F381-F450 HydrophobicContact CD2-CZ 4.09Å; F381-F450 HydrophobicContact CE2-CE2 4.01Å; F381-F450 HydrophobicContact CE2-CZ 4.08Å
382	S	89.2	Confident	92.7	Very high	85 Å²	85	55.6 Å²	55.6	59%	0.594	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	151	172	54.9	0	0	0	0	110.9	Q384 P405	S382-Q384 PolarHBondContact O-N 2.8Å; S382-Q384 PolarHBondContact O-NE2 2.93Å; S382-P405 WeakPolarHBondContact CA-O 3.25Å
383	E	89.6	Confident	92.7	Very high	145 Å²	145	56.9 Å²	56.9	68%	0.678	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.1	50.4	169.5	-56.6	-167.7	141.3	0	0	114.6	V403 L404 P405	E383-V403 HydrophobicContact CB-CG1 4.11Å; E383-L404 CarbonylContact C-O 3.6Å; E383-L404 WeakPolarHBondContact CA-O 3.41Å; E383-L404 PolarHBondContact N-O 3.11Å; E383-P405 PolarHBondContact N-O 2.94Å
384	Q	89.8	Confident	92.7	Very high	5 Å²	5	63.3 Å²	63.3	2%	0.023	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.7	-174.1	-66.9	-57.7	-71.3	0	0	112.8	F381 S382 V403 L404 L407 W433 D436	F381-Q384 HydrophobicContact CB-CG 3.34Å; F381-Q384 HydrophobicContact CG-CG 4.31Å; S382-Q384 PolarHBondContact O-N 2.8Å; S382-Q384 PolarHBondContact O-NE2 2.93Å; Q384-V403 WeakPolarHBondContact O-CA 2.95Å; Q384-L404 PolarHBondContact N-O 2.68Å; Q384-L404 PolarHBondContact O-N 3.35Å; Q384-L407 HydrophobicContact CB-CB 4.47Å; Q384-L407 HydrophobicContact CB-CD2 4.4Å; Q384-L407 HydrophobicContact CG-CB 4.18Å; Q384-L407 HydrophobicContact CG-CD2 4.36Å; Q384-W433 HydrophobicContact CG-CZ2 4.46Å; Q384-D436 PolarHBondContact NE2-OD2 3.44Å
385	P	93.3	Very high	92.7	Very high	27 Å²	27	60.8 Å²	60.8	18%	0.175	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.7	178.6	30.8	-33.8	0	0	0	111.3	E434 D436	P385-E434 HydrophobicContact CB-CB 4.07Å; P385-E434 HydrophobicContact CG-CB 3.91Å; P385-E434 PolarHBondContact O-N 3.04Å; P385-D436 WeakPolarHBondContact CD-OD1 3.25Å; P385-D436 WeakPolarHBondContact CG-OD1 3.43Å
386	I	93.6	Very high	92.9	Very high	2 Å²	2	66 Å²	66	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.9	178.5	-61.1	-166.2	0	0	0	108.8	I388 L402 L404 I431 R432	I386-I388 HydrophobicContact CG2-CD1 4.38Å; I386-I388 HydrophobicContact CG2-CG1 3.97Å; I386-L402 PolarHBondContact N-O 3.43Å; I386-L402 PolarHBondContact O-N 3.23Å; I386-L404 HydrophobicContact CD1-CD1 3.3Å; I386-L404 HydrophobicContact CD1-CG 3.7Å; I386-L404 HydrophobicContact CG1-CD1 4.36Å; I386-L404 HydrophobicContact CG1-CG 4.28Å; I386-I431 HydrophobicContact CG2-CG2 3.59Å; I386-R432 CarbonylContact C-O 3.59Å; I386-R432 VanDerWaalsContact CA-O 3.32Å; I386-R432 WeakPolarHBondContact CA-O 3.3Å; I386-R432 WeakPolarHBondContact CG2-O 3.13Å
387	K	96	Very high	93.4	Very high	51 Å²	51	59.9 Å²	59.9	22%	0.222	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.6	168.5	-78.4	176	172	165.1	0	110.3	D399 I400 I431 R432 E434	K387-D399 HydrophobicContact CD-CB 3.95Å; K387-D399 HydrophobicContact CG-CB 4.44Å; K387-I400 WeakPolarHBondContact CA-O 3.14Å; K387-I431 CarbonylContact O-C 3.59Å; K387-I431 WeakPolarHBondContact O-CA 3.16Å; K387-R432 HydrophobicContact CB-CB 4.2Å; K387-R432 PolarHBondContact N-O 2.86Å; K387-R432 PolarHBondContact O-N 2.97Å; K387-E434 VanDerWaalsContact CD-CD 3.47Å; K387-E434 HydrophobicContact CD-CG 4.09Å; K387-E434 WeakPolarHBondContact CD-OE1 3.42Å; K387-E434 WeakPolarHBondContact CE-OE1 3.3Å; K387-E434 WeakPolarHBondContact CE-OE2 3.35Å; K387-E434 HydrophobicContact CG-CG 4.24Å; K387-E434 IonicContact NZ-OE1 3.11Å; K387-E434 PolarHBondContact NZ-OE1 3.29Å; K387-E434 IonicContact NZ-OE2 3.18Å
388	I	97.3	Very high	93.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.6	178.6	-61.3	-179.1	0	0	0	109.6	I386 L390 I400 F415 I417 V429 K430 I431	I386-I388 HydrophobicContact CG2-CD1 4.38Å; I386-I388 HydrophobicContact CG2-CG1 3.97Å; I388-L390 HydrophobicContact CG2-CD2 4.03Å; I388-I400 PolarHBondContact N-O 2.75Å; I388-I400 VanDerWaalsContact O-CB 3.23Å; I388-I400 WeakPolarHBondContact O-CB 3.36Å; I388-I400 WeakPolarHBondContact O-CG1 3.28Å; I388-I400 PolarHBondContact O-N 3.24Å; I388-F415 HydrophobicContact CD1-CD2 4.42Å; I388-F415 HydrophobicContact CD1-CE2 3.35Å; I388-F415 HydrophobicContact CD1-CZ 3.86Å; I388-I417 HydrophobicContact CD1-CG2 4.08Å; I388-I417 HydrophobicContact CG2-CD1 3.94Å; I388-V429 HydrophobicContact CG2-CG1 4.12Å; I388-K430 CarbonylContact C-O 3.57Å; I388-K430 WeakPolarHBondContact CA-O 3.43Å; I388-I431 HydrophobicContact CG1-CG1 4.29Å; I388-I431 HydrophobicContact CG1-CG2 4.45Å
389	S	98.2	Very high	94.3	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.5	173.3	-49.8	0	0	0	0	110.1	K397 E398 D399 V429 K430	S389-K397 CarbonylContact C-O 3.57Å; S389-K397 VanDerWaalsContact CA-O 3.29Å; S389-K397 WeakPolarHBondContact CA-O 3.31Å; S389-E398 WeakPolarHBondContact OG-CA 3.25Å; S389-D399 PolarHBondContact OG-N 3.2Å; S389-V429 WeakPolarHBondContact O-CA 3.39Å; S389-K430 PolarHBondContact N-O 3.12Å; S389-K430 PolarHBondContact O-N 3.12Å
390	L	98.1	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131	179.2	-58.1	-179.6	0	0	0	109.4	Y367 I388 E396 K397 I400 I417 T419 I423 L426 V429	Y367-L390 HydrophobicContact CD2-CD1 4.11Å; Y367-L390 HydrophobicContact CE2-CD1 4.21Å; Y367-L390 HydrophobicContact CG-CD1 4.5Å; I388-L390 HydrophobicContact CG2-CD2 4.03Å; L390-E396 CarbonylContact O-C 3.49Å; L390-E396 VanDerWaalsContact O-CA 3.22Å; L390-E396 WeakPolarHBondContact O-CA 3.43Å; L390-E396 WeakPolarHBondContact O-CB 3.27Å; L390-K397 PolarHBondContact N-O 3.21Å; L390-K397 PolarHBondContact O-N 2.99Å; L390-I400 HydrophobicContact CD1-CD1 4.05Å; L390-I400 HydrophobicContact CG-CD1 4.18Å; L390-I417 HydrophobicContact CD1-CD1 3.87Å; L390-I417 HydrophobicContact CD2-CD1 3.98Å; L390-I417 HydrophobicContact CG-CD1 4.23Å; L390-T419 HydrophobicContact CD1-CG2 4.38Å; L390-I423 HydrophobicContact CB-CG1 4.43Å; L390-I423 HydrophobicContact CB-CG2 4.44Å; L390-L426 HydrophobicContact CB-CD2 3.85Å; L390-L426 HydrophobicContact CD1-CD2 4.38Å; L390-L426 HydrophobicContact CD2-CD2 4.13Å; L390-L426 HydrophobicContact CG-CD2 4.34Å; L390-V429 HydrophobicContact CD2-CG1 4.2Å; L390-V429 HydrophobicContact CD2-CG2 4.13Å
391	Y	98.1	Very high	94.9	Very high	36 Å²	36	53 Å²	53	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.2	175.4	-52.9	-98.5	0	0	0	109.1	E396 E398 M427 I428 K430	Y391-E396 HydrophobicContact CD1-CB 3.46Å; Y391-E396 VanDerWaalsContact CD1-CB 3.46Å; Y391-E396 HydrophobicContact CD1-CG 4.06Å; Y391-E396 HydrophobicContact CE1-CB 4Å; Y391-E396 HydrophobicContact CE1-CG 4.22Å; Y391-E396 HydrophobicContact CG-CB 4.14Å; Y391-E398 HydrophobicContact CE1-CG 4.09Å; Y391-E398 WeakPolarHBondContact CE1-OE1 3.49Å; Y391-E398 VanDerWaalsContact OH-CD 3.24Å; Y391-E398 PolarHBondContact OH-OE1 3.02Å; Y391-M427 PolarHBondContact O-N 3.31Å; Y391-I428 HydrophobicContact CD2-CB 4.16Å; Y391-I428 HydrophobicContact CD2-CG2 4.18Å; Y391-I428 HydrophobicContact CG-CB 4.48Å; Y391-I428 PolarHBondContact N-O 3.11Å; Y391-I428 PolarHBondContact O-N 3.42Å; Y391-K430 HydrophobicContact CE2-CD 3.73Å; Y391-K430 HydrophobicContact CE2-CG 3.9Å; Y391-K430 PolarHBondContact OH-NZ 2.72Å
392	G	96.5	Very high	95.1	Very high	22 Å²	22	52.9 Å²	52.9	23%	0.227	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	-161.6	180	0	0	0	0	0	112.9	G395 I423 D425	G392-G395 PolarHBondContact N-O 3.06Å; G392-I423 CarbonylContact C-O 3.55Å; G392-I423 VanDerWaalsContact CA-O 3.28Å; G392-I423 WeakPolarHBondContact CA-O 3.31Å; G392-D425 CarbonylContact C-O 3.15Å; G392-D425 WeakPolarHBondContact CA-O 3.27Å
393	T	96	Very high	95.2	Very high	81 Å²	81	53.1 Å²	53.1	50%	0.497	28%	0.281	S	S	.	.	S	Bend	trans	-78.9	-26.8	-175	52.7	0	0	0	0	113.9	I423 D425 M427	T393-I423 PolarHBondContact N-O 3.13Å; T393-I423 VanDerWaalsContact N-O 3.16Å; T393-D425 HydrophobicContact CG2-CB 3.87Å; T393-D425 PolarHBondContact N-O 3.41Å; T393-D425 VanDerWaalsContact N-O 3.15Å; T393-D425 PolarHBondContact OG1-N 3.37Å; T393-M427 HydrophobicContact CG2-CG 4.33Å
394	H	95.3	Very high	95.3	Very high	137 Å²	137	46.3 Å²	46.3	63%	0.634	25%	0.249	S	C	*	.	S	Bend	trans	-103.3	-23.7	-176.9	-62.8	171.4	0	0	0	112.8	D422 I423	H394-D422 WeakPolarHBondContact CB-O 3.49Å; H394-D422 IonicContact ND1-OD2 3.44Å; H394-I423 PolarHBondContact N-O 3.37Å; H394-I423 VanDerWaalsContact N-O 3.14Å
395	G	94.8	Very high	95.3	Very high	13 Å²	13	50.7 Å²	50.7	13%	0.134	28%	0.278	C	S	.	.			trans	178.4	-168.3	176.9	0	0	0	0	0	113.2	G392	G392-G395 PolarHBondContact N-O 3.06Å
396	E	97.1	Very high	95.1	Very high	115 Å²	115	51.9 Å²	51.9	54%	0.537	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.9	-178.2	66.4	-82.7	-175	0	0	111.9	L390 Y391 I423	L390-E396 CarbonylContact O-C 3.49Å; L390-E396 VanDerWaalsContact O-CA 3.22Å; L390-E396 WeakPolarHBondContact O-CA 3.43Å; L390-E396 WeakPolarHBondContact O-CB 3.27Å; Y391-E396 HydrophobicContact CD1-CB 3.46Å; Y391-E396 VanDerWaalsContact CD1-CB 3.46Å; Y391-E396 HydrophobicContact CD1-CG 4.06Å; Y391-E396 HydrophobicContact CE1-CB 4Å; Y391-E396 HydrophobicContact CE1-CG 4.22Å; Y391-E396 HydrophobicContact CG-CB 4.14Å; E396-I423 VanDerWaalsContact C-CD1 3.49Å
397	K	97.6	Very high	95	Very high	69 Å²	69	51.8 Å²	51.8	30%	0.3	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	115.6	167.8	-172.7	77.5	174.8	-158.1	0	108.3	S389 L390 I400 T419 D420 V421 I423	S389-K397 CarbonylContact C-O 3.57Å; S389-K397 VanDerWaalsContact CA-O 3.29Å; S389-K397 WeakPolarHBondContact CA-O 3.31Å; L390-K397 PolarHBondContact N-O 3.21Å; L390-K397 PolarHBondContact O-N 2.99Å; K397-I400 HydrophobicContact CB-CD1 4.14Å; K397-I400 HydrophobicContact CB-CG1 4.37Å; K397-I400 HydrophobicContact CG-CD1 3.82Å; K397-I400 HydrophobicContact CG-CG1 3.62Å; K397-T419 WeakPolarHBondContact CG-OG1 3.3Å; K397-D420 IonicContact NZ-OD1 2.99Å; K397-D420 PolarHBondContact NZ-OD1 2.98Å; K397-D420 IonicContact NZ-OD2 2.68Å; K397-V421 HydrophobicContact CD-CG2 4.06Å; K397-I423 HydrophobicContact CB-CD1 3.98Å
398	E	97.3	Very high	94.8	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	154	-179.1	-56.1	-163.4	151.8	0	0	112.4	S389 Y391 I400	S389-E398 WeakPolarHBondContact OG-CA 3.25Å; Y391-E398 HydrophobicContact CE1-CG 4.09Å; Y391-E398 WeakPolarHBondContact CE1-OE1 3.49Å; Y391-E398 VanDerWaalsContact OH-CD 3.24Å; Y391-E398 PolarHBondContact OH-OE1 3.02Å; E398-I400 VanDerWaalsContact C-N 3.28Å; E398-I400 PolarHBondContact O-N 3.33Å; E398-I400 VanDerWaalsContact O-N 3.15Å
399	D	95.6	Very high	94.6	Very high	58 Å²	58	52.8 Å²	52.8	31%	0.31	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.9	38.2	166.9	-71.2	-26.1	0	0	0	114.7	K387 S389 P401 R432	K387-D399 HydrophobicContact CD-CB 3.95Å; K387-D399 HydrophobicContact CG-CB 4.44Å; S389-D399 PolarHBondContact OG-N 3.2Å; D399-P401 VanDerWaalsContact O-CD 3.23Å; D399-P401 WeakPolarHBondContact O-CD 3.05Å; D399-P401 VanDerWaalsContact O-N 3.14Å; D399-R432 IonicContact OD1-NH1 3.57Å; D399-R432 PolarHBondContact OD1-NH1 3.04Å; D399-R432 IonicContact OD2-NH1 2.73Å; D399-R432 PolarHBondContact OD2-NH1 3.25Å
400	I	96.6	Very high	94.4	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.087	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	115	173.7	-55.5	171	0	0	0	108.2	K387 I388 L390 K397 E398	K387-I400 WeakPolarHBondContact CA-O 3.14Å; I388-I400 PolarHBondContact N-O 2.75Å; I388-I400 VanDerWaalsContact O-CB 3.23Å; I388-I400 WeakPolarHBondContact O-CB 3.36Å; I388-I400 WeakPolarHBondContact O-CG1 3.28Å; I388-I400 PolarHBondContact O-N 3.24Å; L390-I400 HydrophobicContact CD1-CD1 4.05Å; L390-I400 HydrophobicContact CG-CD1 4.18Å; K397-I400 HydrophobicContact CB-CD1 4.14Å; K397-I400 HydrophobicContact CB-CG1 4.37Å; K397-I400 HydrophobicContact CG-CD1 3.82Å; K397-I400 HydrophobicContact CG-CG1 3.62Å; E398-I400 VanDerWaalsContact C-N 3.28Å; E398-I400 PolarHBondContact O-N 3.33Å; E398-I400 VanDerWaalsContact O-N 3.15Å
401	P	94.3	Very high	94.2	Very high	103 Å²	103	58.3 Å²	58.3	67%	0.669	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.7	-176.1	31.6	-34.1	0	0	0	111	D399	D399-P401 VanDerWaalsContact O-CD 3.23Å; D399-P401 WeakPolarHBondContact O-CD 3.05Å; D399-P401 VanDerWaalsContact O-N 3.14Å
402	L	92.9	Very high	94.1	Very high	37 Å²	37	60.8 Å²	60.8	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	139.9	175	175.2	70.1	0	0	0	109.4	I386 L404 F415 I417	I386-L402 PolarHBondContact N-O 3.43Å; I386-L402 PolarHBondContact O-N 3.23Å; L402-L404 HydrophobicContact CD2-CD2 3.66Å; L402-L404 HydrophobicContact CG-CD2 4.22Å; L402-F415 HydrophobicContact CD2-CB 3.97Å; L402-F415 HydrophobicContact CD2-CD1 4.42Å; L402-F415 HydrophobicContact CD2-CD2 3.16Å; L402-F415 HydrophobicContact CD2-CE2 3.63Å; L402-F415 HydrophobicContact CD2-CG 3.61Å; L402-F415 HydrophobicContact CD2-CZ 4.41Å; L402-I417 HydrophobicContact CD2-CG2 4.17Å
403	V	92.3	Very high	94	Very high	90 Å²	90	60.5 Å²	60.5	55%	0.545	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.1	169.3	-176.8	0	0	0	0	108.7	E383 Q384	E383-V403 HydrophobicContact CB-CG1 4.11Å; Q384-V403 WeakPolarHBondContact O-CA 2.95Å
404	L	90.9	Very high	94	Very high	3 Å²	3	58 Å²	58	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.9	172.9	-69	-167.7	0	0	0	110.2	F373 E383 Q384 I386 L402 S406 L407 F415	F373-L404 HydrophobicContact CZ-CD1 4.24Å; E383-L404 CarbonylContact C-O 3.6Å; E383-L404 WeakPolarHBondContact CA-O 3.41Å; E383-L404 PolarHBondContact N-O 3.11Å; Q384-L404 PolarHBondContact N-O 2.68Å; Q384-L404 PolarHBondContact O-N 3.35Å; I386-L404 HydrophobicContact CD1-CD1 3.3Å; I386-L404 HydrophobicContact CD1-CG 3.7Å; I386-L404 HydrophobicContact CG1-CD1 4.36Å; I386-L404 HydrophobicContact CG1-CG 4.28Å; L402-L404 HydrophobicContact CD2-CD2 3.66Å; L402-L404 HydrophobicContact CG-CD2 4.22Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.02Å; L404-L407 HydrophobicContact CD1-CD1 4.15Å; L404-F415 HydrophobicContact CD1-CD1 4.45Å; L404-F415 HydrophobicContact CD1-CE1 4.31Å; L404-F415 HydrophobicContact CD2-CB 3.97Å; L404-F415 HydrophobicContact CD2-CD1 3.42Å; L404-F415 VanDerWaalsContact CD2-CD1 3.42Å; L404-F415 HydrophobicContact CD2-CD2 4.46Å; L404-F415 HydrophobicContact CD2-CE1 3.95Å; L404-F415 HydrophobicContact CD2-CG 3.7Å
405	P	89.3	Confident	94	Very high	96 Å²	96	52 Å²	52	62%	0.623	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	-37.3	-178.3	25.6	-33.7	0	0	0	112.3	S382 E383	S382-P405 WeakPolarHBondContact CA-O 3.25Å; E383-P405 PolarHBondContact N-O 2.94Å
406	S	90.4	Very high	94.2	Very high	52 Å²	52	52 Å²	52	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.1	170.6	76.8	0	0	0	0	111.2	F381 L404 D408	F381-S406 CarbonylContact O-C 3.47Å; F381-S406 WeakPolarHBondContact O-CA 3.34Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.02Å; S406-D408 WeakPolarHBondContact CB-OD2 3.31Å; S406-D408 PolarHBondContact OG-OD2 3.21Å
407	L	90.6	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	95.3	174.9	-175.7	63.9	0	0	0	108.5	F373 F381 Q384 L404 W433 F450	F373-L407 HydrophobicContact CB-CD1 4.33Å; F373-L407 HydrophobicContact CD1-CD1 3.51Å; F373-L407 HydrophobicContact CD2-CD1 3.77Å; F373-L407 HydrophobicContact CE1-CD1 3.58Å; F373-L407 HydrophobicContact CE2-CD1 3.86Å; F373-L407 HydrophobicContact CG-CD1 3.59Å; F373-L407 HydrophobicContact CZ-CD1 3.75Å; F381-L407 HydrophobicContact CB-CB 4.43Å; F381-L407 PolarHBondContact N-O 3.33Å; F381-L407 PolarHBondContact O-N 3.15Å; Q384-L407 HydrophobicContact CB-CB 4.47Å; Q384-L407 HydrophobicContact CB-CD2 4.4Å; Q384-L407 HydrophobicContact CG-CB 4.18Å; Q384-L407 HydrophobicContact CG-CD2 4.36Å; L404-L407 HydrophobicContact CD1-CD1 4.15Å; L407-W433 HydrophobicContact CD2-CD2 4.35Å; L407-W433 HydrophobicContact CD2-CH2 4.18Å; L407-W433 HydrophobicContact CD2-CZ2 3.95Å; L407-W433 HydrophobicContact CD2-CZ3 4.47Å; L407-F450 HydrophobicContact CD1-CE2 4.48Å; L407-F450 HydrophobicContact CD2-CD2 3.86Å; L407-F450 HydrophobicContact CD2-CE2 3.52Å; L407-F450 HydrophobicContact CD2-CZ 4.37Å; L407-F450 HydrophobicContact CG-CD2 4.17Å; L407-F450 HydrophobicContact CG-CE2 3.65Å; L407-F450 HydrophobicContact CG-CZ 4.02Å
408	D	92.3	Very high	94.1	Very high	48 Å²	48	45.7 Å²	45.7	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.2	-170.7	-53.6	-56.6	0	0	0	111.4	S380 S406 S411	S380-D408 VanDerWaalsContact CB-OD1 3.31Å; S380-D408 WeakPolarHBondContact CB-OD1 3.29Å; S380-D408 PolarHBondContact OG-OD1 3.41Å; S406-D408 WeakPolarHBondContact CB-OD2 3.31Å; S406-D408 PolarHBondContact OG-OD2 3.21Å; D408-S411 WeakPolarHBondContact O-CB 3.39Å; D408-S411 PolarHBondContact O-N 2.95Å; D408-S411 PolarHBondContact O-OG 2.8Å
409	S	92.7	Very high	94.1	Very high	24 Å²	24	40.9 Å²	40.9	17%	0.168	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	136.2	174.4	51.2	0	0	0	0	113.1	K378 Q379 S411	K378-S409 WeakPolarHBondContact CA-OG 3.42Å; Q379-S409 PolarHBondContact N-OG 3.25Å; Q379-S409 VanDerWaalsContact N-OG 3.16Å; Q379-S409 WeakPolarHBondContact O-CB 3.19Å; Q379-S409 PolarHBondContact O-N 3.2Å; Q379-S409 PolarHBondContact O-OG 2.95Å; S409-S411 PolarHBondContact O-N 3.19Å
410	N	93.9	Very high	94.1	Very high	90 Å²	90	41.3 Å²	41.3	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	34.4	178.8	-56.5	-42.7	0	0	0	113.5	H372 F373 F374 S375	H372-N410 VanDerWaalsContact CE1-C 3.49Å; H372-N410 PolarHBondContact CE1-O 3.18Å; H372-N410 VanDerWaalsContact CE1-O 3.27Å; F373-N410 VanDerWaalsContact O-CA 3.22Å; F373-N410 WeakPolarHBondContact O-CA 3.46Å; F373-N410 PolarHBondContact O-N 3.48Å; F374-N410 WeakPolarHBondContact CA-OD1 3.31Å; S375-N410 PolarHBondContact N-OD1 3.43Å; S375-N410 PolarHBondContact O-ND2 2.97Å; S375-N410 VanDerWaalsContact O-ND2 3.11Å; S375-N410 PolarHBondContact O-OD1 3Å
411	S	94.5	Very high	94	Very high	29 Å²	29	42.7 Å²	42.7	20%	0.203	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	159	-179.3	79.2	0	0	0	0	112	H372 F373 D408 S409	H372-S411 CarbonylContact C-O 3.37Å; H372-S411 WeakPolarHBondContact CA-O 3.42Å; F373-S411 PolarHBondContact N-O 3.41Å; F373-S411 PolarHBondContact O-N 2.9Å; D408-S411 WeakPolarHBondContact O-CB 3.39Å; D408-S411 PolarHBondContact O-N 2.95Å; D408-S411 PolarHBondContact O-OG 2.8Å; S409-S411 PolarHBondContact O-N 3.19Å
412	T	95.4	Very high	94.1	Very high	88 Å²	88	41.5 Å²	41.5	54%	0.54	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.1	171.7	-65.8	0	0	0	0	110.5	A371 H372	A371-T412 CarbonylContact O-C 3.59Å; A371-T412 VanDerWaalsContact O-CA 3.32Å; A371-T412 WeakPolarHBondContact O-CA 3.2Å; H372-T412 PolarHBondContact ND1-OG1 3.16Å
413	S	94.4	Very high	94.2	Very high	17 Å²	17	39.7 Å²	39.7	12%	0.119	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.6	172.8	-42.6	0	0	0	0	110.3	K370 A371	K370-S413 WeakPolarHBondContact CA-O 3.39Å; A371-S413 PolarHBondContact N-O 3.24Å; A371-S413 VanDerWaalsContact N-O 3.07Å; A371-S413 PolarHBondContact O-N 2.68Å
414	S	96.1	Very high	94.3	Very high	28 Å²	28	36.4 Å²	36.4	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.9	175	-179.1	0	0	0	0	107.8	K323 Q368 V369 K370	K323-S414 WeakPolarHBondContact CA-O 3.31Å; K323-S414 CarbonylContact O-C 3.37Å; K323-S414 VanDerWaalsContact O-C 3.3Å; K323-S414 WeakPolarHBondContact O-CB 3.35Å; K323-S414 PolarHBondContact O-OG 3.02Å; Q368-S414 PolarHBondContact NE2-OG 2.84Å; V369-S414 WeakPolarHBondContact O-CA 3.44Å; K370-S414 WeakPolarHBondContact CE-OG 3.4Å
415	F	96	Very high	94.4	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.8	-177.3	48.6	-94.9	0	0	0	110.5	K323 V369 I388 L402 L404 I417	K323-F415 PolarHBondContact O-N 2.95Å; V369-F415 HydrophobicContact CB-CD2 3.95Å; V369-F415 HydrophobicContact CB-CE2 3.43Å; V369-F415 VanDerWaalsContact CB-CE2 3.43Å; V369-F415 HydrophobicContact CB-CZ 3.84Å; V369-F415 HydrophobicContact CG1-CE1 4.46Å; V369-F415 HydrophobicContact CG1-CE2 3.7Å; V369-F415 HydrophobicContact CG1-CZ 3.61Å; V369-F415 HydrophobicContact CG2-CE2 4.07Å; V369-F415 PolarHBondContact N-O 2.93Å; V369-F415 PolarHBondContact O-N 2.77Å; I388-F415 HydrophobicContact CD1-CD2 4.42Å; I388-F415 HydrophobicContact CD1-CE2 3.35Å; I388-F415 HydrophobicContact CD1-CZ 3.86Å; L402-F415 HydrophobicContact CD2-CB 3.97Å; L402-F415 HydrophobicContact CD2-CD1 4.42Å; L402-F415 HydrophobicContact CD2-CD2 3.16Å; L402-F415 HydrophobicContact CD2-CE2 3.63Å; L402-F415 HydrophobicContact CD2-CG 3.61Å; L402-F415 HydrophobicContact CD2-CZ 4.41Å; L404-F415 HydrophobicContact CD1-CD1 4.45Å; L404-F415 HydrophobicContact CD1-CE1 4.31Å; L404-F415 HydrophobicContact CD2-CB 3.97Å; L404-F415 HydrophobicContact CD2-CD1 3.42Å; L404-F415 VanDerWaalsContact CD2-CD1 3.42Å; L404-F415 HydrophobicContact CD2-CD2 4.46Å; L404-F415 HydrophobicContact CD2-CE1 3.95Å; L404-F415 HydrophobicContact CD2-CG 3.7Å; F415-I417 HydrophobicContact CD2-CG2 4Å; F415-I417 HydrophobicContact CE2-CG2 4.17Å
416	L	97.4	Very high	94.7	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.073	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.3	175.7	-179.1	68.1	0	0	0	109.1	F321 N322 L327 K355 H366 Y367 T418	F321-L416 HydrophobicContact CD1-CD2 4.11Å; F321-L416 HydrophobicContact CE1-CD2 3.57Å; F321-L416 HydrophobicContact CE2-CD2 4.32Å; F321-L416 HydrophobicContact CZ-CD2 3.67Å; N322-L416 WeakPolarHBondContact O-CB 3.41Å; N322-L416 PolarHBondContact O-N 3.3Å; L327-L416 HydrophobicContact CD1-CD1 4.01Å; L327-L416 HydrophobicContact CD2-CD1 4.15Å; L327-L416 HydrophobicContact CG-CD1 4.47Å; K355-L416 HydrophobicContact CG-CD2 4.14Å; H366-L416 HydrophobicContact CB-CD1 4.12Å; Y367-L416 WeakPolarHBondContact O-CA 3.1Å; L416-T418 HydrophobicContact CD2-CG2 4.41Å; L416-T418 HydrophobicContact CG-CG2 4.24Å
417	I	97.1	Very high	94.9	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	153.4	163.5	66.8	179.2	0	0	0	109.2	Y367 V369 I388 L390 L402 F415	Y367-I417 PolarHBondContact N-O 2.93Å; Y367-I417 PolarHBondContact O-N 2.73Å; V369-I417 HydrophobicContact CG2-CD1 3.63Å; V369-I417 HydrophobicContact CG2-CG1 3.99Å; I388-I417 HydrophobicContact CD1-CG2 4.08Å; I388-I417 HydrophobicContact CG2-CD1 3.94Å; L390-I417 HydrophobicContact CD1-CD1 3.87Å; L390-I417 HydrophobicContact CD2-CD1 3.98Å; L390-I417 HydrophobicContact CG-CD1 4.23Å; L402-I417 HydrophobicContact CD2-CG2 4.17Å; F415-I417 HydrophobicContact CD2-CG2 4Å; F415-I417 HydrophobicContact CE2-CG2 4.17Å
418	T	97.2	Very high	95.2	Very high	44 Å²	44	41.3 Å²	41.3	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.9	-179.6	54.1	0	0	0	0	111.3	K355 V364 F365 L416	K355-T418 HydrophobicContact CB-CG2 3.87Å; K355-T418 HydrophobicContact CG-CG2 3.88Å; V364-T418 HydrophobicContact CG2-CG2 4.19Å; F365-T418 WeakPolarHBondContact O-CA 3.37Å; L416-T418 HydrophobicContact CD2-CG2 4.41Å; L416-T418 HydrophobicContact CG-CG2 4.24Å
419	T	96.8	Very high	95.5	Very high	4 Å²	4	39 Å²	39	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148	175	175.1	0	0	0	0	110.4	V364 F365 Y367 L390 K397 V421 I423	V364-T419 CarbonylContact C-O 3.53Å; V364-T419 WeakPolarHBondContact CA-O 3.44Å; V364-T419 WeakPolarHBondContact CB-O 3.4Å; F365-T419 HydrophobicContact CB-CG2 4.36Å; F365-T419 PolarHBondContact N-O 3.44Å; F365-T419 PolarHBondContact O-N 3.01Å; F365-T419 VanDerWaalsContact O-N 3.16Å; Y367-T419 HydrophobicContact CD2-CG2 4.35Å; Y367-T419 HydrophobicContact CE2-CG2 3.68Å; L390-T419 HydrophobicContact CD1-CG2 4.38Å; K397-T419 WeakPolarHBondContact CG-OG1 3.3Å; T419-V421 VanDerWaalsContact C-N 3.32Å; T419-V421 PolarHBondContact OG1-N 3.04Å; T419-V421 VanDerWaalsContact OG1-N 3.16Å; T419-I423 HydrophobicContact CG2-CG1 4.08Å
420	D	94.9	Very high	95.7	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	23%	0.228	S	C	.	.	S	Bend	trans	-83.1	-6.4	174.4	54.1	-16.8	0	0	0	113.6	R357 K397	R357-D420 HydrophobicContact CG-CB 4.06Å; R357-D420 IonicContact NE-OD2 3.93Å; K397-D420 IonicContact NZ-OD1 2.99Å; K397-D420 PolarHBondContact NZ-OD1 2.98Å; K397-D420 IonicContact NZ-OD2 2.68Å
421	V	95.4	Very high	95.9	Very high	47 Å²	47	36.3 Å²	36.3	29%	0.285	21%	0.206	S	C	.	.	S	Bend	trans	-98	135.2	-179.2	-177.7	0	0	0	0	109.8	F365 K397 T419 I423	F365-V421 WeakPolarHBondContact CD2-O 3.36Å; K397-V421 HydrophobicContact CD-CG2 4.06Å; T419-V421 VanDerWaalsContact C-N 3.32Å; T419-V421 PolarHBondContact OG1-N 3.04Å; T419-V421 VanDerWaalsContact OG1-N 3.16Å; V421-I423 HydrophobicContact CB-CD1 4.05Å; V421-I423 HydrophobicContact CG1-CD1 3.92Å; V421-I423 PolarHBondContact O-N 3.25Å; V421-I423 VanDerWaalsContact O-N 3.15Å
422	D	95	Very high	95.9	Very high	77 Å²	77	38.3 Å²	38.3	41%	0.412	21%	0.209	S	C	.	.			trans	-74.2	101.2	165.6	-176.6	12.1	0	0	0	109.3	F365 H394 G424	F365-D422 HydrophobicContact CE2-CB 3.81Å; F365-D422 HydrophobicContact CZ-CB 3.7Å; H394-D422 WeakPolarHBondContact CB-O 3.49Å; H394-D422 IonicContact ND1-OD2 3.44Å; D422-G424 PolarHBondContact O-N 2.99Å; D422-G424 PolarHBondContact OD1-N 3.1Å
423	I	96.3	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.			trans	-75	-18.5	-179.9	-55.9	-62.1	0	0	0	111.3	L390 G392 T393 H394 E396 K397 T419 V421 L426	L390-I423 HydrophobicContact CB-CG1 4.43Å; L390-I423 HydrophobicContact CB-CG2 4.44Å; G392-I423 CarbonylContact C-O 3.55Å; G392-I423 VanDerWaalsContact CA-O 3.28Å; G392-I423 WeakPolarHBondContact CA-O 3.31Å; T393-I423 PolarHBondContact N-O 3.13Å; T393-I423 VanDerWaalsContact N-O 3.16Å; H394-I423 PolarHBondContact N-O 3.37Å; H394-I423 VanDerWaalsContact N-O 3.14Å; E396-I423 VanDerWaalsContact C-CD1 3.49Å; K397-I423 HydrophobicContact CB-CD1 3.98Å; T419-I423 HydrophobicContact CG2-CG1 4.08Å; V421-I423 HydrophobicContact CB-CD1 4.05Å; V421-I423 HydrophobicContact CG1-CD1 3.92Å; V421-I423 PolarHBondContact O-N 3.25Å; V421-I423 VanDerWaalsContact O-N 3.15Å; I423-L426 HydrophobicContact CB-CD2 4.37Å; I423-L426 HydrophobicContact CG2-CD2 3.5Å; I423-L426 HydrophobicContact CG2-CG 4.35Å
424	G	93.7	Very high	95.6	Very high	20 Å²	20	36.2 Å²	36.2	21%	0.206	19%	0.191	C	C	.	.			trans	66.9	-141.3	-170.3	0	0	0	0	0	112.2	D422 L426	D422-G424 PolarHBondContact O-N 2.99Å; D422-G424 PolarHBondContact OD1-N 3.1Å; G424-L426 PolarHBondContact O-N 3.09Å
425	D	92.9	Very high	94.9	Very high	98 Å²	98	38.7 Å²	38.7	52%	0.524	20%	0.198	S	C	.	.	S	Bend	trans	-74.8	113.5	177.9	-82.1	-26.7	0	0	0	110.3	G392 T393 M427	G392-D425 CarbonylContact C-O 3.15Å; G392-D425 WeakPolarHBondContact CA-O 3.27Å; T393-D425 HydrophobicContact CG2-CB 3.87Å; T393-D425 PolarHBondContact N-O 3.41Å; T393-D425 VanDerWaalsContact N-O 3.15Å; T393-D425 PolarHBondContact OG1-N 3.37Å; D425-M427 WeakPolarHBondContact O-CG 3.07Å; D425-M427 PolarHBondContact O-N 3.39Å
426	L	95.5	Very high	93.4	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	127.7	179	-74.2	168.9	0	0	0	111.8	Y367 L390 I423 G424 I457 F468 K489	Y367-L426 HydrophobicContact CD1-CD1 3.78Å; Y367-L426 HydrophobicContact CE1-CD1 3.62Å; Y367-L426 HydrophobicContact CE1-CG 4.27Å; L390-L426 HydrophobicContact CB-CD2 3.85Å; L390-L426 HydrophobicContact CD1-CD2 4.38Å; L390-L426 HydrophobicContact CD2-CD2 4.13Å; L390-L426 HydrophobicContact CG-CD2 4.34Å; I423-L426 HydrophobicContact CB-CD2 4.37Å; I423-L426 HydrophobicContact CG2-CD2 3.5Å; I423-L426 HydrophobicContact CG2-CG 4.35Å; G424-L426 PolarHBondContact O-N 3.09Å; L426-I457 HydrophobicContact CD1-CG2 3.92Å; L426-F468 HydrophobicContact CB-CE1 4.33Å; L426-F468 HydrophobicContact CB-CE2 4.49Å; L426-F468 HydrophobicContact CB-CZ 3.59Å; L426-K489 WeakPolarHBondContact O-CD 3.39Å
427	M	95.1	Very high	91.7	Very high	84 Å²	84	43.9 Å²	43.9	41%	0.414	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-42.1	-177	-63.1	-55.8	-74.2	0	0	112.8	Y391 T393 D425 K489	Y391-M427 PolarHBondContact O-N 3.31Å; T393-M427 HydrophobicContact CG2-CG 4.33Å; D425-M427 WeakPolarHBondContact O-CG 3.07Å; D425-M427 PolarHBondContact O-N 3.39Å; M427-K489 PolarHBondContact O-N 3.34Å; M427-K489 HydrophobicContact SD-CD 3.98Å
428	I	97.2	Very high	89.7	Confident	61 Å²	61	51.4 Å²	51.4	31%	0.313	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.9	-177.4	-56.1	172.6	0	0	0	109.3	Y391 V486 F487	Y391-I428 HydrophobicContact CD2-CB 4.16Å; Y391-I428 HydrophobicContact CD2-CG2 4.18Å; Y391-I428 HydrophobicContact CG-CB 4.48Å; Y391-I428 PolarHBondContact N-O 3.11Å; Y391-I428 PolarHBondContact O-N 3.42Å; I428-V486 HydrophobicContact CG2-CG1 3.93Å; I428-F487 WeakPolarHBondContact CA-O 3.5Å
429	V	97.9	Very high	87.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.3	175	-178.4	0	0	0	0	108.4	I388 S389 L390 I431 L455 I457 F468 F487	I388-V429 HydrophobicContact CG2-CG1 4.12Å; S389-V429 WeakPolarHBondContact O-CA 3.39Å; L390-V429 HydrophobicContact CD2-CG1 4.2Å; L390-V429 HydrophobicContact CD2-CG2 4.13Å; V429-I431 HydrophobicContact CG1-CG1 4.38Å; V429-L455 HydrophobicContact CB-CD1 4.12Å; V429-L455 HydrophobicContact CG1-CD1 3.73Å; V429-I457 HydrophobicContact CB-CD1 4.46Å; V429-I457 HydrophobicContact CG1-CD1 4.24Å; V429-I457 HydrophobicContact CG2-CD1 3.57Å; V429-F468 HydrophobicContact CB-CD1 4.48Å; V429-F468 HydrophobicContact CG2-CD1 3.79Å; V429-F468 HydrophobicContact CG2-CD2 4.26Å; V429-F468 HydrophobicContact CG2-CE1 3.79Å; V429-F468 HydrophobicContact CG2-CE2 4.24Å; V429-F468 HydrophobicContact CG2-CG 4.08Å; V429-F468 HydrophobicContact CG2-CZ 4.05Å; V429-F487 PolarHBondContact N-O 2.88Å; V429-F487 PolarHBondContact O-N 3.18Å
430	K	97.8	Very high	85.1	Confident	54 Å²	54	60 Å²	60	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.7	172.1	-59.5	179.5	-172.6	161.5	0	109.4	I388 S389 Y391 N484 A485 V486	I388-K430 CarbonylContact C-O 3.57Å; I388-K430 WeakPolarHBondContact CA-O 3.43Å; S389-K430 PolarHBondContact N-O 3.12Å; S389-K430 PolarHBondContact O-N 3.12Å; Y391-K430 HydrophobicContact CE2-CD 3.73Å; Y391-K430 HydrophobicContact CE2-CG 3.9Å; Y391-K430 PolarHBondContact OH-NZ 2.72Å; K430-N484 HydrophobicContact CB-CB 4.2Å; K430-N484 HydrophobicContact CD-CB 4.34Å; K430-A485 CarbonylContact C-O 3.15Å; K430-A485 WeakPolarHBondContact CA-O 3.26Å; K430-V486 HydrophobicContact CG-CG1 4.32Å; K430-V486 HydrophobicContact CG-CG2 4.22Å
431	I	96.6	Very high	82.9	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.4	174.8	-55.4	-175.2	0	0	0	108.4	I386 K387 I388 V429 L452 L455 L478 A485 F487	I386-I431 HydrophobicContact CG2-CG2 3.59Å; K387-I431 CarbonylContact O-C 3.59Å; K387-I431 WeakPolarHBondContact O-CA 3.16Å; I388-I431 HydrophobicContact CG1-CG1 4.29Å; I388-I431 HydrophobicContact CG1-CG2 4.45Å; V429-I431 HydrophobicContact CG1-CG1 4.38Å; I431-L452 HydrophobicContact CD1-CD2 4.39Å; I431-L455 HydrophobicContact CD1-CD1 3.64Å; I431-L455 HydrophobicContact CD1-CD2 3.69Å; I431-L455 HydrophobicContact CD1-CG 4.31Å; I431-L455 HydrophobicContact CG1-CD1 4.28Å; I431-L478 HydrophobicContact CB-CD1 4.42Å; I431-L478 HydrophobicContact CG2-CD1 3.91Å; I431-L478 HydrophobicContact CG2-CD2 4.29Å; I431-A485 PolarHBondContact N-O 2.95Å; I431-A485 PolarHBondContact O-N 2.6Å; I431-F487 HydrophobicContact CB-CE2 4.44Å; I431-F487 HydrophobicContact CD1-CE2 4.03Å; I431-F487 HydrophobicContact CG1-CD2 4.5Å; I431-F487 HydrophobicContact CG1-CE2 4.11Å
432	R	95.3	Very high	80.8	Confident	72 Å²	72	67.2 Å²	67.2	27%	0.272	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.7	175.3	-170.6	-179.1	-75.9	149	-9.6	109.6	I386 K387 D399 N484	I386-R432 CarbonylContact C-O 3.59Å; I386-R432 VanDerWaalsContact CA-O 3.32Å; I386-R432 WeakPolarHBondContact CA-O 3.3Å; I386-R432 WeakPolarHBondContact CG2-O 3.13Å; K387-R432 HydrophobicContact CB-CB 4.2Å; K387-R432 PolarHBondContact N-O 2.86Å; K387-R432 PolarHBondContact O-N 2.97Å; D399-R432 IonicContact OD1-NH1 3.57Å; D399-R432 PolarHBondContact OD1-NH1 3.04Å; D399-R432 IonicContact OD2-NH1 2.73Å; D399-R432 PolarHBondContact OD2-NH1 3.25Å; R432-N484 WeakPolarHBondContact CB-OD1 3.3Å; R432-N484 PolarHBondContact NE-OD1 3.27Å; R432-N484 PolarHBondContact NH2-ND2 2.8Å; R432-N484 VanDerWaalsContact NH2-ND2 3.18Å; R432-N484 PolarHBondContact NH2-OD1 2.93Å
433	W	93.8	Very high	78.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113	172.1	-176.8	6.8	0	0	0	108.4	F381 Q384 L407 S448 F450 L478 R480 G481	F381-W433 AromaticContact CD2-CH2 3.94Å; F381-W433 HydrophobicContact CD2-CH2 3.94Å; F381-W433 HydrophobicContact CD2-CZ2 4.05Å; F381-W433 AromaticContact CE2-CH2 3.78Å; F381-W433 HydrophobicContact CE2-CH2 3.78Å; F381-W433 HydrophobicContact CE2-CZ2 4.27Å; F381-W433 HydrophobicContact CG-CZ2 4.29Å; F381-W433 HydrophobicContact CZ-CH2 4.31Å; Q384-W433 HydrophobicContact CG-CZ2 4.46Å; L407-W433 HydrophobicContact CD2-CD2 4.35Å; L407-W433 HydrophobicContact CD2-CH2 4.18Å; L407-W433 HydrophobicContact CD2-CZ2 3.95Å; L407-W433 HydrophobicContact CD2-CZ3 4.47Å; W433-S448 WeakPolarHBondContact CZ3-O 2.82Å; W433-F450 HydrophobicContact CE3-CD2 4.16Å; W433-F450 AromaticContact CH2-CD2 3.92Å; W433-F450 HydrophobicContact CH2-CD2 3.92Å; W433-F450 AromaticContact CH2-CE2 3.57Å; W433-F450 HydrophobicContact CH2-CE2 3.57Å; W433-F450 HydrophobicContact CZ2-CE2 4.46Å; W433-F450 AromaticContact CZ3-CD2 3.47Å; W433-F450 HydrophobicContact CZ3-CD2 3.47Å; W433-F450 VanDerWaalsContact CZ3-CD2 3.47Å; W433-F450 AromaticContact CZ3-CE2 3.66Å; W433-F450 HydrophobicContact CZ3-CE2 3.66Å; W433-L478 HydrophobicContact CB-CD1 3.87Å; W433-L478 HydrophobicContact CB-CD2 4.21Å; W433-L478 HydrophobicContact CB-CG 3.81Å; W433-L478 HydrophobicContact CE3-CG 4.42Å; W433-R480 HydrophobicContact CD2-CB 3.69Å; W433-R480 HydrophobicContact CD2-CG 3.93Å; W433-R480 HydrophobicContact CE3-CB 3.73Å; W433-R480 HydrophobicContact CE3-CG 4.45Å; W433-R480 HydrophobicContact CG-CB 4.26Å; W433-R480 HydrophobicContact CG-CG 4.23Å; W433-R480 HydrophobicContact CH2-CB 4.1Å; W433-R480 HydrophobicContact CZ2-CB 4.08Å; W433-R480 HydrophobicContact CZ2-CG 4.05Å; W433-R480 HydrophobicContact CZ3-CB 3.93Å; W433-G481 PolarHBondContact O-N 2.86Å
434	E	90	Very high	76.5	Confident	61 Å²	61	74.6 Å²	74.6	29%	0.285	37%	0.373	S	S	.	.			trans	-77	164.5	-178.7	-63.4	-156.3	110.9	0	0	112.2	P385 K387	P385-E434 HydrophobicContact CB-CB 4.07Å; P385-E434 HydrophobicContact CG-CB 3.91Å; P385-E434 PolarHBondContact O-N 3.04Å; K387-E434 VanDerWaalsContact CD-CD 3.47Å; K387-E434 HydrophobicContact CD-CG 4.09Å; K387-E434 WeakPolarHBondContact CD-OE1 3.42Å; K387-E434 WeakPolarHBondContact CE-OE1 3.3Å; K387-E434 WeakPolarHBondContact CE-OE2 3.35Å; K387-E434 HydrophobicContact CG-CG 4.24Å; K387-E434 IonicContact NZ-OE1 3.11Å; K387-E434 PolarHBondContact NZ-OE1 3.29Å; K387-E434 IonicContact NZ-OE2 3.18Å
435	K	81	Confident	74.3	Confident	79 Å²	79	84.7 Å²	84.7	34%	0.343	40%	0.404	S	S	.	.			trans	-97.2	130.6	176.9	-165.9	-175.3	178.7	-171.5	0	108.7	A437 L438 D443	K435-A437 WeakPolarHBondContact CD-O 3.09Å; K435-A437 WeakPolarHBondContact CE-O 3.44Å; K435-A437 WeakPolarHBondContact CG-O 3.31Å; K435-A437 PolarHBondContact O-N 2.03Å; K435-L438 PolarHBondContact NZ-O 2.91Å; K435-D443 VanDerWaalsContact CE-OD1 3.25Å; K435-D443 WeakPolarHBondContact CE-OD1 3.41Å; K435-D443 WeakPolarHBondContact CE-OD2 3.39Å; K435-D443 IonicContact NZ-OD1 2.68Å; K435-D443 IonicContact NZ-OD2 3.85Å; K435-D443 PolarHBondContact NZ-OD2 3.45Å
436	D	65.3	Low	72.7	Confident	85 Å²	85	82.4 Å²	82.4	46%	0.455	40%	0.404	S	S	.	.	S	Bend	trans	-69.9	-18.3	-175.3	-59.5	15	0	0	0	112.9	Q384 P385 R480	Q384-D436 PolarHBondContact NE2-OD2 3.44Å; P385-D436 WeakPolarHBondContact CD-OD1 3.25Å; P385-D436 WeakPolarHBondContact CG-OD1 3.43Å; D436-R480 IonicContact OD1-CZ 3.49Å; D436-R480 IonicContact OD1-NE 3.77Å; D436-R480 IonicContact OD1-NH2 3.53Å; D436-R480 PolarHBondContact OD1-NH2 3.12Å; D436-R480 IonicContact OD2-CZ 3.42Å; D436-R480 IonicContact OD2-NH2 3.66Å; D436-R480 PolarHBondContact OD2-NH2 3.23Å
437	A	60.5	Low	71.3	Confident	48 Å²	48	85.7 Å²	85.7	40%	0.397	43%	0.428	S	S	.	.			trans	-153.9	152.1	179.1	0	0	0	0	0	112.9	K435 F439	K435-A437 WeakPolarHBondContact CD-O 3.09Å; K435-A437 WeakPolarHBondContact CE-O 3.44Å; K435-A437 WeakPolarHBondContact CG-O 3.31Å; K435-A437 PolarHBondContact O-N 2.03Å; A437-F439 PolarHBondContact O-N 3.31Å
438	L	55.3	Low	70.7	Confident	165 Å²	165	82.7 Å²	82.7	86%	0.864	42%	0.415	S	S	*	.	S	Bend	trans	-57.2	-36.8	174.3	-79.1	161.3	0	0	0	112.1	K435	K435-L438 PolarHBondContact NZ-O 2.91Å
439	F	50.2	Low	70.3	Confident	195 Å²	195	85.1 Å²	85.1	86%	0.855	42%	0.424	S	S	*	.	S	Bend	trans	-123.6	114.9	170.3	-72.3	-86.5	0	0	0	109.4	A437	A437-F439 PolarHBondContact O-N 3.31Å
440	S	48.1	Very low	70.1	Confident	33 Å²	33	85.1 Å²	85.1	23%	0.231	42%	0.424	C	S	.	.			trans	-116	134.3	170.4	-175.8	0	0	0	0	108.8	S442 D443	S440-S442 VanDerWaalsContact CB-OG 3.32Å; S440-S442 WeakPolarHBondContact CB-OG 2.98Å; S440-S442 PolarHBondContact O-N 3.25Å; S440-S442 PolarHBondContact OG-N 3.37Å; S440-S442 PolarHBondContact OG-OG 2.88Å; S440-D443 PolarHBondContact N-OD2 3.04Å; S440-D443 WeakPolarHBondContact O-CB 3.25Å; S440-D443 VanDerWaalsContact O-CG 3.31Å; S440-D443 PolarHBondContact O-N 2.92Å
441	W	47.5	Very low	69.8	Low	227 Å²	227	84.7 Å²	84.7	86%	0.86	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-57.8	-18.6	174.5	-72.7	77.7	0	0	0	112.5	D443 L444	W441-D443 VanDerWaalsContact C-N 3.26Å; W441-D443 PolarHBondContact O-N 2.99Å; W441-L444 PolarHBondContact O-N 2.89Å
442	S	51.4	Low	69.7	Low	39 Å²	39	84.5 Å²	84.5	27%	0.273	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-66	-20.9	171.4	60.5	0	0	0	0	114.3	S440 L444 W445	S440-S442 VanDerWaalsContact CB-OG 3.32Å; S440-S442 WeakPolarHBondContact CB-OG 2.98Å; S440-S442 PolarHBondContact O-N 3.25Å; S440-S442 PolarHBondContact OG-N 3.37Å; S440-S442 PolarHBondContact OG-OG 2.88Å; S442-L444 PolarHBondContact O-N 3.02Å; S442-W445 PolarHBondContact O-N 3.46Å; S442-W445 VanDerWaalsContact O-N 3.1Å
443	D	52.7	Low	69.6	Low	87 Å²	87	87 Å²	87	47%	0.465	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-67.9	-21.6	178.6	-60.4	-35.9	0	0	0	112.3	K435 S440 W441 W445	K435-D443 VanDerWaalsContact CE-OD1 3.25Å; K435-D443 WeakPolarHBondContact CE-OD1 3.41Å; K435-D443 WeakPolarHBondContact CE-OD2 3.39Å; K435-D443 IonicContact NZ-OD1 2.68Å; K435-D443 IonicContact NZ-OD2 3.85Å; K435-D443 PolarHBondContact NZ-OD2 3.45Å; S440-D443 PolarHBondContact N-OD2 3.04Å; S440-D443 WeakPolarHBondContact O-CB 3.25Å; S440-D443 VanDerWaalsContact O-CG 3.31Å; S440-D443 PolarHBondContact O-N 2.92Å; W441-D443 VanDerWaalsContact C-N 3.26Å; W441-D443 PolarHBondContact O-N 2.99Å; D443-W445 VanDerWaalsContact C-N 3.34Å
444	L	47.8	Very low	69.7	Low	145 Å²	145	90.9 Å²	90.9	76%	0.759	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-77.4	-15.5	173.2	-87.1	109.2	0	0	0	113.7	W441 S442	W441-L444 PolarHBondContact O-N 2.89Å; S442-L444 PolarHBondContact O-N 3.02Å
445	W	49.3	Very low	70	Confident	231 Å²	231	88 Å²	88	88%	0.875	43%	0.434	S	S	*	.	S	Bend	trans	-113.4	11.6	-170.6	-70.4	71.1	0	0	0	113.6	S442 D443	S442-W445 PolarHBondContact O-N 3.46Å; S442-W445 VanDerWaalsContact O-N 3.1Å; D443-W445 VanDerWaalsContact C-N 3.34Å
446	G	57.5	Low	70.8	Confident	50 Å²	50	90 Å²	90	52%	0.515	44%	0.44	S	S	.	.			trans	92.2	155.4	-179.5	0	0	0	0	0	113.2	S448	G446-S448 PolarHBondContact O-N 3.19Å
447	S	67	Low	72.3	Confident	81 Å²	81	86.3 Å²	86.3	57%	0.566	42%	0.42	S	S	*	.			trans	-78.1	121	-178.4	56.3	0	0	0	0	111.6	K449	S447-K449 PolarHBondContact O-N 2.94Å
448	S	82.1	Confident	74	Confident	20 Å²	20	85 Å²	85	14%	0.14	41%	0.405	C	S	.	.			trans	-60	132.7	168.6	-62.2	0	0	0	0	109.8	Q379 F381 W433 G446 R480	Q379-S448 PolarHBondContact OE1-OG 3.34Å; Q379-S448 VanDerWaalsContact OE1-OG 3.09Å; F381-S448 VanDerWaalsContact CZ-OG 3.27Å; F381-S448 WeakPolarHBondContact CZ-OG 3.37Å; W433-S448 WeakPolarHBondContact CZ3-O 2.82Å; G446-S448 PolarHBondContact O-N 3.19Å; S448-R480 PolarHBondContact O-N 3.36Å; S448-R480 VanDerWaalsContact O-N 3.16Å
449	K	89.2	Confident	76	Confident	113 Å²	113	77.4 Å²	77.4	49%	0.491	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.8	-176.2	66.9	-174.8	178.5	-171.9	0	111.1	S447 L478 V479	S447-K449 PolarHBondContact O-N 2.94Å; K449-L478 WeakPolarHBondContact CA-O 3.17Å; K449-V479 HydrophobicContact CB-CG2 4.08Å
450	F	92.7	Very high	78.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.6	164.9	-67.6	-79.6	0	0	0	109.1	F373 F374 F381 L407 W433 L452 L478	F373-F450 HydrophobicContact CB-CB 4.37Å; F373-F450 HydrophobicContact CB-CD1 3.85Å; F373-F450 HydrophobicContact CB-CE1 4.45Å; F373-F450 HydrophobicContact CB-CG 4.19Å; F373-F450 HydrophobicContact CD1-CB 4.11Å; F373-F450 HydrophobicContact CD1-CG 4.29Å; F374-F450 WeakPolarHBondContact O-CA 3.5Å; F381-F450 HydrophobicContact CD2-CE2 4.01Å; F381-F450 HydrophobicContact CD2-CZ 4.09Å; F381-F450 HydrophobicContact CE2-CE2 4.01Å; F381-F450 HydrophobicContact CE2-CZ 4.08Å; L407-F450 HydrophobicContact CD1-CE2 4.48Å; L407-F450 HydrophobicContact CD2-CD2 3.86Å; L407-F450 HydrophobicContact CD2-CE2 3.52Å; L407-F450 HydrophobicContact CD2-CZ 4.37Å; L407-F450 HydrophobicContact CG-CD2 4.17Å; L407-F450 HydrophobicContact CG-CE2 3.65Å; L407-F450 HydrophobicContact CG-CZ 4.02Å; W433-F450 HydrophobicContact CE3-CD2 4.16Å; W433-F450 AromaticContact CH2-CD2 3.92Å; W433-F450 HydrophobicContact CH2-CD2 3.92Å; W433-F450 AromaticContact CH2-CE2 3.57Å; W433-F450 HydrophobicContact CH2-CE2 3.57Å; W433-F450 HydrophobicContact CZ2-CE2 4.46Å; W433-F450 AromaticContact CZ3-CD2 3.47Å; W433-F450 HydrophobicContact CZ3-CD2 3.47Å; W433-F450 VanDerWaalsContact CZ3-CD2 3.47Å; W433-F450 AromaticContact CZ3-CE2 3.66Å; W433-F450 HydrophobicContact CZ3-CE2 3.66Å; F450-L452 HydrophobicContact CB-CD1 4.26Å; F450-L478 PolarHBondContact N-O 3.11Å; F450-L478 PolarHBondContact O-N 3.25Å
451	H	92.9	Very high	80.5	Confident	44 Å²	44	68.5 Å²	68.5	20%	0.204	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.4	169.9	55	102.3	0	0	0	110.1	F374 F475 A476 Y477	F374-H451 WeakPolarHBondContact CB-CE1 3.31Å; F374-H451 WeakPolarHBondContact CB-ND1 3.41Å; F374-H451 WeakPolarHBondContact CB-NE2 3.27Å; F374-H451 WeakPolarHBondContact CB-O 3.47Å; F374-H451 WeakPolarHBondContact CD2-O 3.12Å; F374-H451 AromaticContact CG-CE1 3.99Å; F374-H451 PolarHBondContact N-O 3.11Å; F374-H451 PolarHBondContact O-CD2 2.95Å; F374-H451 PolarHBondContact O-N 2.82Å; H451-F475 HydrophobicContact CB-CB 4.02Å; H451-F475 HydrophobicContact CB-CD1 4.14Å; H451-F475 HydrophobicContact CB-CG 4.26Å; H451-F475 AromaticContact ND1-CD1 3.3Å; H451-F475 VanDerWaalsContact ND1-CD1 3.3Å; H451-F475 WeakPolarHBondContact ND1-CD1 3.3Å; H451-F475 AromaticContact ND1-CE1 3.42Å; H451-F475 WeakPolarHBondContact ND1-CE1 3.16Å; H451-F475 AromaticContact ND1-CG 3.8Å; H451-A476 WeakPolarHBondContact CA-O 3.49Å; H451-Y477 HydrophobicContact CB-CD1 4.03Å; H451-Y477 HydrophobicContact CB-CE1 4.18Å
452	L	94.9	Very high	82.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.6	-175.4	-74.9	79	0	0	0	108.6	A371 F373 I431 F450 L455 F475 A476 L478 F487	A371-L452 HydrophobicContact CB-CD2 3.82Å; F373-L452 HydrophobicContact CD1-CD1 3.74Å; F373-L452 HydrophobicContact CD1-CD2 4.26Å; F373-L452 HydrophobicContact CD1-CG 4.11Å; F373-L452 HydrophobicContact CE1-CD1 4Å; F373-L452 HydrophobicContact CE1-CD2 3.9Å; F373-L452 HydrophobicContact CE1-CG 4.25Å; F373-L452 HydrophobicContact CZ-CD2 4.37Å; I431-L452 HydrophobicContact CD1-CD2 4.39Å; F450-L452 HydrophobicContact CB-CD1 4.26Å; L452-L455 HydrophobicContact CD2-CD2 3.97Å; L452-F475 WeakPolarHBondContact O-CA 3.29Å; L452-A476 PolarHBondContact N-O 3.41Å; L452-A476 PolarHBondContact O-N 2.87Å; L452-L478 HydrophobicContact CD1-CB 3.71Å; L452-L478 HydrophobicContact CD1-CD2 4.14Å; L452-F487 HydrophobicContact CB-CE1 3.92Å; L452-F487 HydrophobicContact CB-CZ 3.66Å; L452-F487 HydrophobicContact CD2-CZ 3.97Å; L452-F487 HydrophobicContact CG-CZ 4.43Å
453	R	92.6	Very high	84.9	Confident	124 Å²	124	63.1 Å²	63.1	47%	0.468	31%	0.31	S	S	.	.			trans	-82.7	-44.8	178.9	-178.1	170.5	176.7	175.8	5.2	112.7	F374 A470 E474 F475	F374-R453 HydrophobicContact CE2-CB 4.31Å; R453-A470 PolarHBondContact O-N 2.88Å; R453-E474 HydrophobicContact CG-CG 4.5Å; R453-E474 IonicContact CZ-OE1 2.78Å; R453-E474 IonicContact NE-OE1 3.83Å; R453-E474 IonicContact NH1-OE1 3.96Å; R453-E474 PolarHBondContact NH1-OE1 3.46Å; R453-E474 IonicContact NH2-OE1 3.81Å; R453-F475 HydrophobicContact CB-CD1 3.93Å; R453-F475 HydrophobicContact CB-CE1 3.89Å
454	K	94.9	Very high	86.8	Confident	81 Å²	81	61 Å²	61	35%	0.352	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154.1	-174.3	64.9	-172.1	172.3	-158.6	0	112	I467 F468	K454-I467 HydrophobicContact CB-CG2 4.34Å; K454-I467 HydrophobicContact CD-CG2 4.35Å; K454-F468 CarbonylContact C-O 3.46Å; K454-F468 WeakPolarHBondContact CA-O 3.5Å; K454-F468 VanDerWaalsContact CB-O 3.27Å; K454-F468 WeakPolarHBondContact CB-O 3.48Å
455	L	96.6	Very high	89	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145	168.6	-52.2	175.3	0	0	0	109.3	A371 V429 I431 L452 I457 I467 F468 F487	A371-L455 HydrophobicContact CB-CD2 3.66Å; V429-L455 HydrophobicContact CB-CD1 4.12Å; V429-L455 HydrophobicContact CG1-CD1 3.73Å; I431-L455 HydrophobicContact CD1-CD1 3.64Å; I431-L455 HydrophobicContact CD1-CD2 3.69Å; I431-L455 HydrophobicContact CD1-CG 4.31Å; I431-L455 HydrophobicContact CG1-CD1 4.28Å; L452-L455 HydrophobicContact CD2-CD2 3.97Å; L455-I457 HydrophobicContact CB-CG1 4.42Å; L455-I467 WeakPolarHBondContact O-CA 3.2Å; L455-F468 HydrophobicContact CB-CB 4.21Å; L455-F468 PolarHBondContact N-O 3.34Å; L455-F468 PolarHBondContact O-N 3.46Å; L455-F487 HydrophobicContact CD1-CB 4.03Å; L455-F487 HydrophobicContact CD1-CD1 4.09Å; L455-F487 HydrophobicContact CD1-CD2 3.46Å; L455-F487 VanDerWaalsContact CD1-CD2 3.46Å; L455-F487 HydrophobicContact CD1-CE1 4.45Å; L455-F487 HydrophobicContact CD1-CE2 3.87Å; L455-F487 HydrophobicContact CD1-CG 3.59Å; L455-F487 HydrophobicContact CD1-CZ 4.34Å; L455-F487 HydrophobicContact CD2-CE1 4.33Å; L455-F487 HydrophobicContact CD2-CE2 4.43Å; L455-F487 HydrophobicContact CD2-CZ 4.21Å; L455-F487 HydrophobicContact CG-CD1 3.84Å; L455-F487 HydrophobicContact CG-CD2 4.07Å; L455-F487 HydrophobicContact CG-CE1 4Å; L455-F487 HydrophobicContact CG-CE2 4.22Å; L455-F487 HydrophobicContact CG-CG 3.88Å; L455-F487 HydrophobicContact CG-CZ 4.18Å
456	R	97.3	Very high	91.2	Very high	123 Å²	123	50.2 Å²	50.2	46%	0.464	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.9	167.3	-62.2	177.8	175.2	160.3	-0.7	107.8	K370 I467	K370-R456 HydrophobicContact CB-CB 4.3Å; K370-R456 PolarHBondContact N-O 3.44Å; K370-R456 PolarHBondContact O-N 2.7Å; R456-I467 HydrophobicContact CG-CG1 4.39Å
457	I	97.4	Very high	93.1	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.8	-178.4	-55.2	-172.8	0	0	0	109.4	Y367 Q368 V369 L426 V429 L455 K465 V466 F468	Y367-I457 HydrophobicContact CD1-CG2 4.06Å; Q368-I457 CarbonylContact O-C 3.13Å; Q368-I457 VanDerWaalsContact O-CA 3.24Å; Q368-I457 WeakPolarHBondContact O-CA 3.29Å; V369-I457 HydrophobicContact CG1-CG1 4.35Å; V369-I457 HydrophobicContact CG2-CD1 4.18Å; V369-I457 HydrophobicContact CG2-CG1 4.17Å; V369-I457 HydrophobicContact CG2-CG2 4.49Å; L426-I457 HydrophobicContact CD1-CG2 3.92Å; V429-I457 HydrophobicContact CB-CD1 4.46Å; V429-I457 HydrophobicContact CG1-CD1 4.24Å; V429-I457 HydrophobicContact CG2-CD1 3.57Å; L455-I457 HydrophobicContact CB-CG1 4.42Å; I457-K465 WeakPolarHBondContact O-CA 3.25Å; I457-V466 PolarHBondContact N-O 3.22Å; I457-V466 PolarHBondContact O-N 3.04Å; I457-F468 HydrophobicContact CB-CD2 4.42Å; I457-F468 HydrophobicContact CB-CE2 4.06Å; I457-F468 HydrophobicContact CD1-CD2 3.93Å; I457-F468 HydrophobicContact CD1-CE2 3.87Å; I457-F468 HydrophobicContact CG1-CD2 4.02Å; I457-F468 HydrophobicContact CG1-CE2 4.07Å
458	K	97.1	Very high	94.5	Very high	21 Å²	21	46.6 Å²	46.6	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	171.3	-178.7	-171.9	-175.7	-170.2	0	109.2	L327 Y367 Q368 Q463 S464 K465	L327-K458 VanDerWaalsContact C-NZ 3.34Å; L327-K458 HydrophobicContact CB-CD 4.35Å; L327-K458 WeakPolarHBondContact O-CE 3.43Å; L327-K458 PolarHBondContact O-NZ 3.26Å; Y367-K458 CarbonylContact C-O 3.55Å; Y367-K458 WeakPolarHBondContact CA-O 3.38Å; Q368-K458 HydrophobicContact CB-CB 4.26Å; Q368-K458 PolarHBondContact N-O 3.25Å; Q368-K458 PolarHBondContact O-N 2.98Å; K458-Q463 VanDerWaalsContact NZ-OE1 3.09Å; K458-S464 VanDerWaalsContact CA-O 3.31Å; K458-S464 WeakPolarHBondContact CA-O 3.42Å; K458-S464 WeakPolarHBondContact CG-O 3.45Å; K458-K465 HydrophobicContact CB-CG 4.09Å; K458-K465 HydrophobicContact CD-CG 4.34Å; K458-K465 HydrophobicContact CG-CG 3.83Å
459	C	97.3	Very high	95.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.4	167.5	-178.6	0	0	0	0	109.7	Y367 T462 Q463 S464	Y367-C459 HydrophobicContact CD1-CB 3.87Å; Y367-C459 HydrophobicContact CE1-CB 3.71Å; C459-T462 VanDerWaalsContact CB-OG1 3.26Å; C459-T462 WeakPolarHBondContact CB-OG1 3.46Å; C459-T462 PolarHBondContact SG-OG1 2.68Å; C459-Q463 CarbonylContact O-C 3.53Å; C459-Q463 VanDerWaalsContact O-CA 3.23Å; C459-Q463 WeakPolarHBondContact O-CA 3.47Å; C459-Q463 PolarHBondContact O-N 2.89Å; C459-S464 PolarHBondContact N-O 2.9Å
460	G	96.8	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-72.2	-46.6	176.9	0	0	0	0	0	112	Y313 H366 Q463	Y313-G460 WeakPolarHBondContact OH-CA 3.27Å; Y313-G460 PolarHBondContact OH-O 2.75Å; H366-G460 PolarHBondContact O-N 3.15Å; G460-Q463 PolarHBondContact O-N 3.32Å; G460-Q463 PolarHBondContact O-NE2 3.33Å
461	E	95.8	Very high	95.4	Very high	41 Å²	41	49.7 Å²	49.7	19%	0.192	23%	0.234	C	C	.	.	S	Bend	trans	-70.3	-43.7	-171.4	-70.1	62.8	-137.7	0	0	111.3	M311 Y313 F365 H366	M311-E461 HydrophobicContact CG-CG 4.5Å; Y313-E461 PolarHBondContact OH-N 3.34Å; Y313-E461 PolarHBondContact OH-OE1 3.42Å; F365-E461 WeakPolarHBondContact CA-OE2 3.3Å; F365-E461 HydrophobicContact CD1-CB 4.02Å; F365-E461 HydrophobicContact CD1-CG 3.82Å; F365-E461 HydrophobicContact CE1-CB 4.41Å; F365-E461 HydrophobicContact CE1-CG 4.35Å; H366-E461 IonicContact CE1-OE1 3.72Å; H366-E461 IonicContact CG-OE1 2.81Å; H366-E461 PolarHBondContact N-OE1 3.15Å; H366-E461 PolarHBondContact N-OE2 2.92Å; H366-E461 IonicContact ND1-OE1 3.75Å; H366-E461 PolarHBondContact ND1-OE1 2.97Å
462	T	94.8	Very high	95.2	Very high	95 Å²	95	54.1 Å²	54.1	58%	0.583	26%	0.255	S	S	*	.	S	Bend	trans	-88.4	-7.1	178.5	63.2	0	0	0	0	113.3	C459 S464	C459-T462 VanDerWaalsContact CB-OG1 3.26Å; C459-T462 WeakPolarHBondContact CB-OG1 3.46Å; C459-T462 PolarHBondContact SG-OG1 2.68Å; T462-S464 PolarHBondContact O-N 3.2Å; T462-S464 WeakPolarHBondContact OG1-CB 3.4Å; T462-S464 PolarHBondContact OG1-N 3.42Å; T462-S464 PolarHBondContact OG1-OG 3.28Å
463	Q	95.8	Very high	94.9	Very high	59 Å²	59	57.6 Å²	57.6	28%	0.276	29%	0.291	S	S	.	.			trans	53.6	14.2	-170.3	-68.7	-65.5	-64.7	0	0	114.9	L327 C329 K458 C459 G460	L327-Q463 PolarHBondContact O-NE2 3.41Å; L327-Q463 PolarHBondContact O-OE1 2.9Å; C329-Q463 HydrophobicContact CB-CG 3.98Å; C329-Q463 VanDerWaalsContact N-OE1 3.14Å; C329-Q463 PolarHBondContact SG-NE2 3.44Å; K458-Q463 VanDerWaalsContact NZ-OE1 3.09Å; C459-Q463 CarbonylContact O-C 3.53Å; C459-Q463 VanDerWaalsContact O-CA 3.23Å; C459-Q463 WeakPolarHBondContact O-CA 3.47Å; C459-Q463 PolarHBondContact O-N 2.89Å; G460-Q463 PolarHBondContact O-N 3.32Å; G460-Q463 PolarHBondContact O-NE2 3.33Å
464	S	93.3	Very high	94.8	Very high	43 Å²	43	56.9 Å²	56.9	30%	0.301	29%	0.293	S	S	.	.			trans	-71.7	151.9	-180	72.6	0	0	0	0	111.6	K458 C459 T462	K458-S464 VanDerWaalsContact CA-O 3.31Å; K458-S464 WeakPolarHBondContact CA-O 3.42Å; K458-S464 WeakPolarHBondContact CG-O 3.45Å; C459-S464 PolarHBondContact N-O 2.9Å; T462-S464 PolarHBondContact O-N 3.2Å; T462-S464 WeakPolarHBondContact OG1-CB 3.4Å; T462-S464 PolarHBondContact OG1-N 3.42Å; T462-S464 PolarHBondContact OG1-OG 3.28Å
465	K	94.6	Very high	94.6	Very high	135 Å²	135	55.3 Å²	55.3	59%	0.587	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.5	174.7	-70.1	-179.5	-176.5	177.9	0	108.3	I457 K458	I457-K465 WeakPolarHBondContact O-CA 3.25Å; K458-K465 HydrophobicContact CB-CG 4.09Å; K458-K465 HydrophobicContact CD-CG 4.34Å; K458-K465 HydrophobicContact CG-CG 3.83Å
466	V	94.6	Very high	94.5	Very high	14 Å²	14	55.8 Å²	55.8	9%	0.085	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.5	-173.4	-178.2	0	0	0	0	109.3	I457 F468 K489	I457-V466 PolarHBondContact N-O 3.22Å; I457-V466 PolarHBondContact O-N 3.04Å; V466-F468 HydrophobicContact CB-CE2 3.76Å; V466-F468 HydrophobicContact CB-CZ 4.23Å; V466-F468 HydrophobicContact CG1-CD2 4.09Å; V466-F468 HydrophobicContact CG1-CE1 4.44Å; V466-F468 HydrophobicContact CG1-CE2 3.41Å; V466-F468 VanDerWaalsContact CG1-CE2 3.41Å; V466-F468 HydrophobicContact CG1-CZ 3.58Å; V466-K489 HydrophobicContact CG1-CD 4.15Å; V466-K489 HydrophobicContact CG1-CG 3.67Å
467	I	96.4	Very high	94.3	Very high	54 Å²	54	57.2 Å²	57.2	28%	0.277	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.6	173.6	-56.8	-179.8	0	0	0	108.4	K454 L455 R456 S490	K454-I467 HydrophobicContact CB-CG2 4.34Å; K454-I467 HydrophobicContact CD-CG2 4.35Å; L455-I467 WeakPolarHBondContact O-CA 3.2Å; R456-I467 HydrophobicContact CG-CG1 4.39Å; I467-S490 WeakPolarHBondContact O-CB 3.39Å; I467-S490 PolarHBondContact O-N 3.08Å
468	F	96.5	Very high	94.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	173.7	-61.9	-102.3	0	0	0	109.3	L426 V429 K454 L455 I457 V466 F487 V488 K489	L426-F468 HydrophobicContact CB-CE1 4.33Å; L426-F468 HydrophobicContact CB-CE2 4.49Å; L426-F468 HydrophobicContact CB-CZ 3.59Å; V429-F468 HydrophobicContact CB-CD1 4.48Å; V429-F468 HydrophobicContact CG2-CD1 3.79Å; V429-F468 HydrophobicContact CG2-CD2 4.26Å; V429-F468 HydrophobicContact CG2-CE1 3.79Å; V429-F468 HydrophobicContact CG2-CE2 4.24Å; V429-F468 HydrophobicContact CG2-CG 4.08Å; V429-F468 HydrophobicContact CG2-CZ 4.05Å; K454-F468 CarbonylContact C-O 3.46Å; K454-F468 WeakPolarHBondContact CA-O 3.5Å; K454-F468 VanDerWaalsContact CB-O 3.27Å; K454-F468 WeakPolarHBondContact CB-O 3.48Å; L455-F468 HydrophobicContact CB-CB 4.21Å; L455-F468 PolarHBondContact N-O 3.34Å; L455-F468 PolarHBondContact O-N 3.46Å; I457-F468 HydrophobicContact CB-CD2 4.42Å; I457-F468 HydrophobicContact CB-CE2 4.06Å; I457-F468 HydrophobicContact CD1-CD2 3.93Å; I457-F468 HydrophobicContact CD1-CE2 3.87Å; I457-F468 HydrophobicContact CG1-CD2 4.02Å; I457-F468 HydrophobicContact CG1-CE2 4.07Å; V466-F468 HydrophobicContact CB-CE2 3.76Å; V466-F468 HydrophobicContact CB-CZ 4.23Å; V466-F468 HydrophobicContact CG1-CD2 4.09Å; V466-F468 HydrophobicContact CG1-CE1 4.44Å; V466-F468 HydrophobicContact CG1-CE2 3.41Å; V466-F468 VanDerWaalsContact CG1-CE2 3.41Å; V466-F468 HydrophobicContact CG1-CZ 3.58Å; F468-F487 HydrophobicContact CB-CB 3.73Å; F468-V488 CarbonylContact C-O 3.57Å; F468-V488 VanDerWaalsContact CA-O 3.31Å; F468-V488 WeakPolarHBondContact CA-O 3.41Å; F468-K489 HydrophobicContact CD1-CB 4.24Å; F468-K489 VanDerWaalsContact CD1-N 3.29Å; F468-K489 HydrophobicContact CE1-CB 3.87Å; F468-K489 HydrophobicContact CZ-CB 4.48Å
469	N	96.1	Very high	93.8	Very high	62 Å²	62	57.8 Å²	57.8	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	154.9	176.1	-68.5	-29.8	0	0	0	109.6	K471 F487 V488 S490	N469-K471 PolarHBondContact O-N 2.86Å; N469-F487 CarbonylContact O-C 3.51Å; N469-F487 WeakPolarHBondContact O-CA 3.04Å; N469-V488 PolarHBondContact N-O 3.38Å; N469-V488 PolarHBondContact O-N 3.05Å; N469-S490 PolarHBondContact ND2-OG 3.26Å; N469-S490 VanDerWaalsContact ND2-OG 3.07Å
470	A	95.6	Very high	93.4	Very high	14 Å²	14	59.4 Å²	59.4	12%	0.116	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	136.1	171.4	0	0	0	0	0	110.5	R453 A476	R453-A470 PolarHBondContact O-N 2.88Å; A470-A476 HydrophobicContact CB-CB 3.88Å
471	K	92.1	Very high	92.9	Very high	122 Å²	122	61.8 Å²	61.8	53%	0.53	33%	0.332	S	S	.	.	S	Bend	trans	-64.1	-41.8	-178.1	-176.3	-167.8	168.1	-136.7	0	111.7	N469 V486 V488	N469-K471 PolarHBondContact O-N 2.86Å; K471-V486 HydrophobicContact CB-CB 4.13Å; K471-V486 HydrophobicContact CB-CG1 4.13Å; K471-V486 WeakPolarHBondContact CB-O 3.3Å; K471-V486 HydrophobicContact CD-CB 4.25Å; K471-V486 HydrophobicContact CD-CG1 3.92Å; K471-V486 PolarHBondContact N-O 3.36Å; K471-V488 HydrophobicContact CB-CG2 4.03Å; K471-V488 HydrophobicContact CG-CG2 3.94Å
472	E	88.9	Confident	92.5	Very high	138 Å²	138	61.1 Å²	61.1	65%	0.645	34%	0.336	S	S	*	.	S	Bend	trans	-123.7	118.2	-173.5	-70	167.5	-152.9	0	0	109.1
473	G	88.8	Confident	92.4	Very high	73 Å²	73	64.9 Å²	64.9	75%	0.753	35%	0.347	S	S	*	.	S	Bend	trans	74.8	-166.1	-179.7	0	0	0	0	0	114.9
474	E	89.3	Confident	92.3	Very high	109 Å²	109	64.1 Å²	64.1	51%	0.509	35%	0.345	S	S	.	.	S	Bend	trans	-77.5	-28.7	179	-174.4	178.1	-172.3	0	0	112.6	R453	R453-E474 HydrophobicContact CG-CG 4.5Å; R453-E474 IonicContact CZ-OE1 2.78Å; R453-E474 IonicContact NE-OE1 3.83Å; R453-E474 IonicContact NH1-OE1 3.96Å; R453-E474 PolarHBondContact NH1-OE1 3.46Å; R453-E474 IonicContact NH2-OE1 3.81Å
475	F	91.6	Very high	92.4	Very high	48 Å²	48	62.3 Å²	62.3	21%	0.211	33%	0.332	C	S	.	.			trans	-131.8	139	-174	-62.5	-85	0	0	0	111.6	F374 H451 L452 R453	F374-F475 HydrophobicContact CD2-CE1 4.04Å; F374-F475 HydrophobicContact CE2-CE1 4.31Å; H451-F475 HydrophobicContact CB-CB 4.02Å; H451-F475 HydrophobicContact CB-CD1 4.14Å; H451-F475 HydrophobicContact CB-CG 4.26Å; H451-F475 AromaticContact ND1-CD1 3.3Å; H451-F475 VanDerWaalsContact ND1-CD1 3.3Å; H451-F475 WeakPolarHBondContact ND1-CD1 3.3Å; H451-F475 AromaticContact ND1-CE1 3.42Å; H451-F475 WeakPolarHBondContact ND1-CE1 3.16Å; H451-F475 AromaticContact ND1-CG 3.8Å; L452-F475 WeakPolarHBondContact O-CA 3.29Å; R453-F475 HydrophobicContact CB-CD1 3.93Å; R453-F475 HydrophobicContact CB-CE1 3.89Å
476	A	94.5	Very high	92.6	Very high	10 Å²	10	57.6 Å²	57.6	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.3	162.3	0	0	0	0	0	108.9	H451 L452 A470 A485 F487	H451-A476 WeakPolarHBondContact CA-O 3.49Å; L452-A476 PolarHBondContact N-O 3.41Å; L452-A476 PolarHBondContact O-N 2.87Å; A470-A476 HydrophobicContact CB-CB 3.88Å; A476-A485 HydrophobicContact CB-CB 3.93Å; A476-F487 HydrophobicContact CB-CE1 3.82Å; A476-F487 HydrophobicContact CB-CE2 4.23Å; A476-F487 HydrophobicContact CB-CZ 3.64Å
477	Y	92.6	Very high	92.7	Very high	152 Å²	152	57 Å²	57	60%	0.596	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.3	-179.3	-61.4	-86.3	0	0	0	109.8	H451	H451-Y477 HydrophobicContact CB-CD1 4.03Å; H451-Y477 HydrophobicContact CB-CE1 4.18Å
478	L	93.1	Very high	92.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	100.6	174.5	-172.5	69.3	0	0	0	108	F373 I431 W433 K449 F450 L452 A485	F373-L478 HydrophobicContact CD1-CD2 4.43Å; F373-L478 HydrophobicContact CE1-CD2 3.85Å; I431-L478 HydrophobicContact CB-CD1 4.42Å; I431-L478 HydrophobicContact CG2-CD1 3.91Å; I431-L478 HydrophobicContact CG2-CD2 4.29Å; W433-L478 HydrophobicContact CB-CD1 3.87Å; W433-L478 HydrophobicContact CB-CD2 4.21Å; W433-L478 HydrophobicContact CB-CG 3.81Å; W433-L478 HydrophobicContact CE3-CG 4.42Å; K449-L478 WeakPolarHBondContact CA-O 3.17Å; F450-L478 PolarHBondContact N-O 3.11Å; F450-L478 PolarHBondContact O-N 3.25Å; L452-L478 HydrophobicContact CD1-CB 3.71Å; L452-L478 HydrophobicContact CD1-CD2 4.14Å; L478-A485 HydrophobicContact CD1-CB 4.22Å
479	V	91.6	Very high	92.6	Very high	39 Å²	39	59.8 Å²	59.8	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.7	-179.5	-176.1	0	0	0	0	108.5	K449 G481 G482	K449-V479 HydrophobicContact CB-CG2 4.08Å; V479-G481 PolarHBondContact O-N 3.36Å; V479-G482 PolarHBondContact O-N 3.42Å
480	R	89.3	Confident	92.3	Very high	39 Å²	39	57.3 Å²	57.3	15%	0.147	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-62	126	178.5	-168	178	-170.2	-173.2	4.9	111.1	W433 D436 S448 G482	W433-R480 HydrophobicContact CD2-CB 3.69Å; W433-R480 HydrophobicContact CD2-CG 3.93Å; W433-R480 HydrophobicContact CE3-CB 3.73Å; W433-R480 HydrophobicContact CE3-CG 4.45Å; W433-R480 HydrophobicContact CG-CB 4.26Å; W433-R480 HydrophobicContact CG-CG 4.23Å; W433-R480 HydrophobicContact CH2-CB 4.1Å; W433-R480 HydrophobicContact CZ2-CB 4.08Å; W433-R480 HydrophobicContact CZ2-CG 4.05Å; W433-R480 HydrophobicContact CZ3-CB 3.93Å; D436-R480 IonicContact OD1-CZ 3.49Å; D436-R480 IonicContact OD1-NE 3.77Å; D436-R480 IonicContact OD1-NH2 3.53Å; D436-R480 PolarHBondContact OD1-NH2 3.12Å; D436-R480 IonicContact OD2-CZ 3.42Å; D436-R480 IonicContact OD2-NH2 3.66Å; D436-R480 PolarHBondContact OD2-NH2 3.23Å; S448-R480 PolarHBondContact O-N 3.36Å; S448-R480 VanDerWaalsContact O-N 3.16Å; R480-G482 PolarHBondContact O-N 3.46Å
481	G	86.4	Confident	91.2	Very high	50 Å²	50	67 Å²	67	52%	0.515	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	10.7	-174	0	0	0	0	0	114.3	W433 V479	W433-G481 PolarHBondContact O-N 2.86Å; V479-G481 PolarHBondContact O-N 3.36Å
482	G	87.9	Confident	89.7	Confident	27 Å²	27	66.5 Å²	66.5	28%	0.278	35%	0.353	S	S	.	.			trans	-91.5	-168.5	-179.2	0	0	0	0	0	113.9	V479 R480	V479-G482 PolarHBondContact O-N 3.42Å; R480-G482 PolarHBondContact O-N 3.46Å
483	E	91.7	Very high	87.9	Confident	174 Å²	174	62 Å²	62	81%	0.813	33%	0.333	S	S	*	.			trans	-71.2	173.7	177.6	-63.8	-170	172.8	0	0	113.4	A485	E483-A485 PolarHBondContact O-N 3.3Å
484	N	94.1	Very high	86	Confident	44 Å²	44	64.7 Å²	64.7	24%	0.235	34%	0.335	C	S	.	.			trans	-71.2	125.4	179.3	-70.7	-21	0	0	0	111.9	K430 R432 V486	K430-N484 HydrophobicContact CB-CB 4.2Å; K430-N484 HydrophobicContact CD-CB 4.34Å; R432-N484 WeakPolarHBondContact CB-OD1 3.3Å; R432-N484 PolarHBondContact NE-OD1 3.27Å; R432-N484 PolarHBondContact NH2-ND2 2.8Å; R432-N484 VanDerWaalsContact NH2-ND2 3.18Å; R432-N484 PolarHBondContact NH2-OD1 2.93Å; N484-V486 HydrophobicContact CB-CG2 4.43Å; N484-V486 PolarHBondContact O-N 3.27Å
485	A	96	Very high	83.8	Confident	4 Å²	4	65.6 Å²	65.6	3%	0.033	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.6	161.9	0	0	0	0	0	109.2	K430 I431 A476 L478 E483 F487	K430-A485 CarbonylContact C-O 3.15Å; K430-A485 WeakPolarHBondContact CA-O 3.26Å; I431-A485 PolarHBondContact N-O 2.95Å; I431-A485 PolarHBondContact O-N 2.6Å; A476-A485 HydrophobicContact CB-CB 3.93Å; L478-A485 HydrophobicContact CD1-CB 4.22Å; E483-A485 PolarHBondContact O-N 3.3Å; A485-F487 HydrophobicContact CB-CE2 3.81Å; A485-F487 HydrophobicContact CB-CZ 4.23Å; A485-F487 WeakPolarHBondContact O-CE2 3.26Å
486	V	97.3	Very high	81.8	Confident	37 Å²	37	64.9 Å²	64.9	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	-174.5	-169.8	0	0	0	0	111.4	I428 K430 K471 N484	I428-V486 HydrophobicContact CG2-CG1 3.93Å; K430-V486 HydrophobicContact CG-CG1 4.32Å; K430-V486 HydrophobicContact CG-CG2 4.22Å; K471-V486 HydrophobicContact CB-CB 4.13Å; K471-V486 HydrophobicContact CB-CG1 4.13Å; K471-V486 WeakPolarHBondContact CB-O 3.3Å; K471-V486 HydrophobicContact CD-CB 4.25Å; K471-V486 HydrophobicContact CD-CG1 3.92Å; K471-V486 PolarHBondContact N-O 3.36Å; N484-V486 HydrophobicContact CB-CG2 4.43Å; N484-V486 PolarHBondContact O-N 3.27Å
487	F	97.6	Very high	79.7	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.8	177.9	-53.5	-98.3	0	0	0	110.7	I428 V429 I431 L452 L455 F468 N469 A476 A485	I428-F487 WeakPolarHBondContact CA-O 3.5Å; V429-F487 PolarHBondContact N-O 2.88Å; V429-F487 PolarHBondContact O-N 3.18Å; I431-F487 HydrophobicContact CB-CE2 4.44Å; I431-F487 HydrophobicContact CD1-CE2 4.03Å; I431-F487 HydrophobicContact CG1-CD2 4.5Å; I431-F487 HydrophobicContact CG1-CE2 4.11Å; L452-F487 HydrophobicContact CB-CE1 3.92Å; L452-F487 HydrophobicContact CB-CZ 3.66Å; L452-F487 HydrophobicContact CD2-CZ 3.97Å; L452-F487 HydrophobicContact CG-CZ 4.43Å; L455-F487 HydrophobicContact CD1-CB 4.03Å; L455-F487 HydrophobicContact CD1-CD1 4.09Å; L455-F487 HydrophobicContact CD1-CD2 3.46Å; L455-F487 VanDerWaalsContact CD1-CD2 3.46Å; L455-F487 HydrophobicContact CD1-CE1 4.45Å; L455-F487 HydrophobicContact CD1-CE2 3.87Å; L455-F487 HydrophobicContact CD1-CG 3.59Å; L455-F487 HydrophobicContact CD1-CZ 4.34Å; L455-F487 HydrophobicContact CD2-CE1 4.33Å; L455-F487 HydrophobicContact CD2-CE2 4.43Å; L455-F487 HydrophobicContact CD2-CZ 4.21Å; L455-F487 HydrophobicContact CG-CD1 3.84Å; L455-F487 HydrophobicContact CG-CD2 4.07Å; L455-F487 HydrophobicContact CG-CE1 4Å; L455-F487 HydrophobicContact CG-CE2 4.22Å; L455-F487 HydrophobicContact CG-CG 3.88Å; L455-F487 HydrophobicContact CG-CZ 4.18Å; F468-F487 HydrophobicContact CB-CB 3.73Å; N469-F487 CarbonylContact O-C 3.51Å; N469-F487 WeakPolarHBondContact O-CA 3.04Å; A476-F487 HydrophobicContact CB-CE1 3.82Å; A476-F487 HydrophobicContact CB-CE2 4.23Å; A476-F487 HydrophobicContact CB-CZ 3.64Å; A485-F487 HydrophobicContact CB-CE2 3.81Å; A485-F487 HydrophobicContact CB-CZ 4.23Å; A485-F487 WeakPolarHBondContact O-CE2 3.26Å
488	V	96.6	Very high	77.8	Confident	56 Å²	56	74.7 Å²	74.7	34%	0.339	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.9	-180	-175.5	0	0	0	0	109.4	F468 N469 K471 S490	F468-V488 CarbonylContact C-O 3.57Å; F468-V488 VanDerWaalsContact CA-O 3.31Å; F468-V488 WeakPolarHBondContact CA-O 3.41Å; N469-V488 PolarHBondContact N-O 3.38Å; N469-V488 PolarHBondContact O-N 3.05Å; K471-V488 HydrophobicContact CB-CG2 4.03Å; K471-V488 HydrophobicContact CG-CG2 3.94Å; V488-S490 PolarHBondContact O-N 3.42Å
489	K	94.4	Very high	75.9	Confident	57 Å²	57	80.5 Å²	80.5	25%	0.248	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	127	176.5	-175.7	177.2	-164.6	171.1	0	109.8	L426 M427 V466 F468 D493	L426-K489 WeakPolarHBondContact O-CD 3.39Å; M427-K489 PolarHBondContact O-N 3.34Å; M427-K489 HydrophobicContact SD-CD 3.98Å; V466-K489 HydrophobicContact CG1-CD 4.15Å; V466-K489 HydrophobicContact CG1-CG 3.67Å; F468-K489 HydrophobicContact CD1-CB 4.24Å; F468-K489 VanDerWaalsContact CD1-N 3.29Å; F468-K489 HydrophobicContact CE1-CB 3.87Å; F468-K489 HydrophobicContact CZ-CB 4.48Å; K489-D493 VanDerWaalsContact CE-OD2 3.26Å; K489-D493 WeakPolarHBondContact CE-OD2 3.45Å
490	S	88.9	Confident	74.1	Confident	11 Å²	11	84.9 Å²	84.9	8%	0.077	42%	0.422	C	S	.	.			trans	-68.3	137	177.5	-166.7	0	0	0	0	109.9	I467 N469 V488 E492	I467-S490 WeakPolarHBondContact O-CB 3.39Å; I467-S490 PolarHBondContact O-N 3.08Å; N469-S490 PolarHBondContact ND2-OG 3.26Å; N469-S490 VanDerWaalsContact ND2-OG 3.07Å; V488-S490 PolarHBondContact O-N 3.42Å; S490-E492 PolarHBondContact O-N 3.4Å; S490-E492 PolarHBondContact OG-N 3.31Å
491	K	72.8	Confident	72.5	Confident	217 Å²	217	89.2 Å²	89.2	94%	0.943	44%	0.443	S	S	*	.	S	Bend	trans	-67.4	-14.5	169.9	-64.8	-175.3	179.1	-178.2	0	112.2	D493	K491-D493 VanDerWaalsContact C-N 3.33Å; K491-D493 PolarHBondContact O-N 3.37Å; K491-D493 VanDerWaalsContact O-N 3.16Å
492	E	60.4	Low	71.1	Confident	112 Å²	112	92.2 Å²	92.2	52%	0.523	45%	0.445	S	S	.	.			trans	-83.2	66.2	173.6	-66.5	-167.9	132.4	0	0	111.6	S490 R500	S490-E492 PolarHBondContact O-N 3.4Å; S490-E492 PolarHBondContact OG-N 3.31Å; E492-R500 IonicContact OE1-CZ 3.3Å; E492-R500 IonicContact OE1-NH1 3.53Å; E492-R500 IonicContact OE1-NH2 2.63Å; E492-R500 PolarHBondContact OE1-NH2 2.73Å
493	D	51.3	Low	69.8	Low	44 Å²	44	96.6 Å²	96.6	24%	0.235	46%	0.459	C	S	.	.			trans	-101.7	132.8	171.3	-101.7	-15.4	0	0	0	113.2	K489 K491 L495	K489-D493 VanDerWaalsContact CE-OD2 3.26Å; K489-D493 WeakPolarHBondContact CE-OD2 3.45Å; K491-D493 VanDerWaalsContact C-N 3.33Å; K491-D493 PolarHBondContact O-N 3.37Å; K491-D493 VanDerWaalsContact O-N 3.16Å; D493-L495 PolarHBondContact O-N 2.8Å
494	T	48.4	Very low	68.2	Low	128 Å²	128	96.9 Å²	96.9	79%	0.785	45%	0.452	S	S	*	.	S	Bend	trans	58.4	-30.5	161.5	45.8	0	0	0	0	122.5
495	L	43.7	Very low	66.7	Low	128 Å²	128	100.2 Å²	100.2	67%	0.67	47%	0.469	S	S	*	.	S	Bend	trans	-74.1	-33.4	-179.4	-74.7	163.1	0	0	0	113	D493 R497	D493-L495 PolarHBondContact O-N 2.8Å; L495-R497 PolarHBondContact O-N 3.15Å
496	S	48.7	Very low	65.2	Low	34 Å²	34	107.4 Å²	107.4	24%	0.238	50%	0.5	C	S	.	.	H	α-helix	trans	-78.2	-16.6	-164.6	113.6	0	0	0	0	115.1	R500	S496-R500 WeakPolarHBondContact O-CA 3.19Å; S496-R500 WeakPolarHBondContact O-CB 3.24Å; S496-R500 WeakPolarHBondContact O-CD 3.46Å; S496-R500 WeakPolarHBondContact O-CG 3.25Å; S496-R500 PolarHBondContact O-N 3.11Å; S496-R500 WeakPolarHBondContact OG-CD 3.35Å; S496-R500 PolarHBondContact OG-NE 3.45Å; S496-R500 PolarHBondContact OG-NH1 3.02Å
497	R	51.7	Low	63.2	Low	200 Å²	200	109.1 Å²	109.1	76%	0.755	51%	0.51	S	S	*	.	H	α-helix	trans	-75.4	-41.7	-179.2	-106.4	-177.1	175.8	-171.5	-3.9	113.1	L495 Q501	L495-R497 PolarHBondContact O-N 3.15Å; R497-Q501 WeakPolarHBondContact O-CB 3.28Å; R497-Q501 PolarHBondContact O-N 2.82Å
498	K	51.5	Low	61.1	Low	168 Å²	168	116.3 Å²	116.3	73%	0.73	54%	0.544	S	S	*	.	H	α-helix	trans	-72.3	-39.2	177.9	-139.1	-177.7	-176.7	-172.1	0	110	Q501 M502	K498-Q501 PolarHBondContact O-N 2.88Å; K498-M502 VanDerWaalsContact O-CB 3.3Å; K498-M502 WeakPolarHBondContact O-CB 3.35Å; K498-M502 VanDerWaalsContact O-CG 3.23Å; K498-M502 WeakPolarHBondContact O-CG 3.21Å; K498-M502 PolarHBondContact O-N 3.43Å
499	E	53.1	Low	58.8	Low	122 Å²	122	116.6 Å²	116.6	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-69.3	-41.8	174.1	-71.6	176.3	154.9	0	0	112.9	Q501 M502 H503	E499-Q501 VanDerWaalsContact C-N 3.31Å; E499-Q501 PolarHBondContact O-N 3.35Å; E499-M502 PolarHBondContact O-N 2.94Å; E499-H503 WeakPolarHBondContact O-CA 3.35Å; E499-H503 WeakPolarHBondContact O-CB 3.48Å; E499-H503 PolarHBondContact O-N 2.9Å
500	R	54.4	Low	56.5	Low	131 Å²	131	118.7 Å²	118.7	49%	0.494	58%	0.58	S	S	.	*	H	α-helix	trans	-66.8	-32.7	173.5	-73.9	172.2	-179.8	169.7	6.2	111.7	E492 S496 R504	E492-R500 IonicContact OE1-CZ 3.3Å; E492-R500 IonicContact OE1-NH1 3.53Å; E492-R500 IonicContact OE1-NH2 2.63Å; E492-R500 PolarHBondContact OE1-NH2 2.73Å; S496-R500 WeakPolarHBondContact O-CA 3.19Å; S496-R500 WeakPolarHBondContact O-CB 3.24Å; S496-R500 WeakPolarHBondContact O-CD 3.46Å; S496-R500 WeakPolarHBondContact O-CG 3.25Å; S496-R500 PolarHBondContact O-N 3.11Å; S496-R500 WeakPolarHBondContact OG-CD 3.35Å; S496-R500 PolarHBondContact OG-NE 3.45Å; S496-R500 PolarHBondContact OG-NH1 3.02Å; R500-R504 VanDerWaalsContact O-CB 3.28Å; R500-R504 WeakPolarHBondContact O-CB 3.3Å; R500-R504 VanDerWaalsContact O-CG 3.28Å; R500-R504 WeakPolarHBondContact O-CG 3.16Å; R500-R504 PolarHBondContact O-N 2.77Å
501	Q	55.6	Low	54.5	Low	129 Å²	129	125.2 Å²	125.2	60%	0.603	61%	0.614	S	S	*	*	H	α-helix	trans	-72.4	-43.7	174.9	-167.3	172.3	22.1	0	0	111.3	R497 K498 E499 H503 R504 L505	R497-Q501 WeakPolarHBondContact O-CB 3.28Å; R497-Q501 PolarHBondContact O-N 2.82Å; K498-Q501 PolarHBondContact O-N 2.88Å; E499-Q501 VanDerWaalsContact C-N 3.31Å; E499-Q501 PolarHBondContact O-N 3.35Å; Q501-H503 VanDerWaalsContact C-N 3.33Å; Q501-R504 PolarHBondContact O-N 3.16Å; Q501-L505 HydrophobicContact CG-CD1 4.34Å; Q501-L505 WeakPolarHBondContact O-CB 3.4Å; Q501-L505 VanDerWaalsContact O-CG 3.27Å; Q501-L505 WeakPolarHBondContact O-CG 3.1Å; Q501-L505 PolarHBondContact O-N 3.43Å
502	M	57.2	Low	53.2	Low	113 Å²	113	124.8 Å²	124.8	56%	0.557	61%	0.612	S	S	*	*	H	α-helix	trans	-61.9	-40.1	171.2	-77.9	-83.5	-81.2	0	0	111.9	K498 E499 L505 K506	K498-M502 VanDerWaalsContact O-CB 3.3Å; K498-M502 WeakPolarHBondContact O-CB 3.35Å; K498-M502 VanDerWaalsContact O-CG 3.23Å; K498-M502 WeakPolarHBondContact O-CG 3.21Å; K498-M502 PolarHBondContact O-N 3.43Å; E499-M502 PolarHBondContact O-N 2.94Å; M502-L505 PolarHBondContact O-N 3.44Å; M502-K506 WeakPolarHBondContact O-CB 3.31Å; M502-K506 WeakPolarHBondContact O-CG 3.49Å; M502-K506 PolarHBondContact O-N 2.91Å
503	H	60.3	Low	52.4	Low	120 Å²	120	123 Å²	123	56%	0.556	62%	0.623	S	S	*	*	H	α-helix	trans	-68.4	-42.2	177.7	-173.2	14.7	0	0	0	111.2	E499 Q501 K506 T507	E499-H503 WeakPolarHBondContact O-CA 3.35Å; E499-H503 WeakPolarHBondContact O-CB 3.48Å; E499-H503 PolarHBondContact O-N 2.9Å; Q501-H503 VanDerWaalsContact C-N 3.33Å; H503-K506 PolarHBondContact O-N 3.18Å; H503-T507 PolarHBondContact O-N 3.31Å; H503-T507 PolarHBondContact O-OG1 3.38Å
504	R	58.7	Low	52.2	Low	179 Å²	179	129.7 Å²	129.7	68%	0.675	65%	0.653	S	S	*	*	H	α-helix	trans	-62.9	-40.4	172.8	-82	-179.7	173.2	-167.8	-4.3	112.8	R500 Q501 K506 T507 Q508	R500-R504 VanDerWaalsContact O-CB 3.28Å; R500-R504 WeakPolarHBondContact O-CB 3.3Å; R500-R504 VanDerWaalsContact O-CG 3.28Å; R500-R504 WeakPolarHBondContact O-CG 3.16Å; R500-R504 PolarHBondContact O-N 2.77Å; Q501-R504 PolarHBondContact O-N 3.16Å; R504-K506 VanDerWaalsContact C-N 3.34Å; R504-T507 WeakPolarHBondContact CA-OG1 3.43Å; R504-T507 PolarHBondContact O-N 2.89Å; R504-T507 PolarHBondContact O-OG1 3.13Å; R504-Q508 WeakPolarHBondContact O-CB 3.47Å; R504-Q508 WeakPolarHBondContact O-CG 3.36Å; R504-Q508 PolarHBondContact O-N 2.95Å
505	L	62.8	Low	51.7	Low	115 Å²	115	131 Å²	131	60%	0.602	66%	0.655	S	S	*	*	H	α-helix	trans	-66.1	-37.3	174.6	-73.7	164.9	0	0	0	111.5	Q501 M502 G509	Q501-L505 HydrophobicContact CG-CD1 4.34Å; Q501-L505 WeakPolarHBondContact O-CB 3.4Å; Q501-L505 VanDerWaalsContact O-CG 3.27Å; Q501-L505 WeakPolarHBondContact O-CG 3.1Å; Q501-L505 PolarHBondContact O-N 3.43Å; M502-L505 PolarHBondContact O-N 3.44Å; L505-G509 PolarHBondContact O-N 3.44Å
506	K	62.8	Low	51.6	Low	154 Å²	154	133.9 Å²	133.9	67%	0.67	67%	0.665	S	S	*	*	H	α-helix	trans	-68.9	-37.1	173.4	-77.6	-178.5	176.7	-172.2	0	113.3	M502 H503 R504	M502-K506 WeakPolarHBondContact O-CB 3.31Å; M502-K506 WeakPolarHBondContact O-CG 3.49Å; M502-K506 PolarHBondContact O-N 2.91Å; H503-K506 PolarHBondContact O-N 3.18Å; R504-K506 VanDerWaalsContact C-N 3.34Å
507	T	56	Low	51	Low	73 Å²	73	141 Å²	141	45%	0.448	73%	0.726	S	S	.	*	H	α-helix	trans	-81.7	-27.9	179.8	47.4	0	0	0	0	113.3	H503 R504	H503-T507 PolarHBondContact O-N 3.31Å; H503-T507 PolarHBondContact O-OG1 3.38Å; R504-T507 WeakPolarHBondContact CA-OG1 3.43Å; R504-T507 PolarHBondContact O-N 2.89Å; R504-T507 PolarHBondContact O-OG1 3.13Å
508	Q	54	Low	50.9	Low	152 Å²	152	138 Å²	138	71%	0.71	73%	0.725	S	S	*	*	H	α-helix	trans	-84.2	-19.7	173.3	-71.9	-175.5	-46.4	0	0	113.7	R504 S510	R504-Q508 WeakPolarHBondContact O-CB 3.47Å; R504-Q508 WeakPolarHBondContact O-CG 3.36Å; R504-Q508 PolarHBondContact O-N 2.95Å; Q508-S510 VanDerWaalsContact C-N 3.27Å; Q508-S510 PolarHBondContact O-N 3.14Å
509	G	47.6	Very low	50.9	Low	62 Å²	62	136.4 Å²	136.4	64%	0.639	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-3.6	172.3	0	0	0	0	0	115	L505	L505-G509 PolarHBondContact O-N 3.44Å
510	S	47.1	Very low	50.8	Low	100 Å²	100	137.2 Å²	137.2	70%	0.699	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	6.2	-175.1	-172.2	0	0	0	0	114.3	Q508	Q508-S510 VanDerWaalsContact C-N 3.27Å; Q508-S510 PolarHBondContact O-N 3.14Å
511	L	46.8	Very low	50.6	Low	149 Å²	149	137.6 Å²	137.6	78%	0.78	75%	0.747	S	S	*	*	S	Bend	trans	-112.5	9.7	-177	-88.8	158.6	0	0	0	114.6
512	F	44.3	Very low	50.2	Low	207 Å²	207	138.1 Å²	138.1	91%	0.908	76%	0.756	S	S	*	*	S	Bend	trans	-122.5	91	168.4	-89.3	-85.5	0	0	0	108.9
513	G	45.2	Very low	49.8	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	77%	0.769	S	S	*	*	S	Bend	trans	168.3	6.5	177.2	0	0	0	0	0	117.1
514	Q	46.3	Very low	49	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	79%	0.785	S	S	*	*			trans	-140.8	85.7	167.2	-74.5	-171.1	-19.7	0	0	109.1
515	N	38.5	Very low	48.3	Very low	155 Å²	155	138.3 Å²	138.3	83%	0.829	79%	0.793	S	S	*	*	S	Bend	trans	-163.8	119.5	143.5	-96.1	-7.6	0	0	0	109
516	E	40.6	Very low	47.1	Very low	188 Å²	188	140.3 Å²	140.3	88%	0.879	81%	0.809	S	S	*	*			trans	65.5	100.7	152.4	-60.2	-178.8	164.2	0	0	119.4
517	A	35.9	Very low	45.6	Very low	183 Å²	183	139 Å²	139	100%	1.512	82%	0.821	S	S	*	*				153.3	0	116.8	0	0	0	0	0	111.2

Retrieved 517 of 517 residues in 139.8 ms (Link to these results)

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