A0A087YJH3_POEFO Loading...

pyridoxal 5'-phosphate synthase

Catalyzes the oxidation of either pyridoxine 5'-phosphate (PNP) or pyridoxamine 5'-phosphate (PMP) into pyridoxal 5'-phosphate (PLP).

AlphaFold DB , UniProt , Accession A0A087YJH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 276 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	31.8	Very low	237 Å²	237	158.8 Å²	158.8	100%	1.167	78%	0.778	S	S	*	*				0	125.7	0	-65.3	176.4	-174.1	0	0	106.8
2	R	28.8	Very low	31.6	Very low	238 Å²	238	157.4 Å²	157.4	90%	0.898	77%	0.768	S	S	*	*				47.9	136.9	97.9	-76	-170.2	179.6	-162.2	2.9	113.8
3	R	29.2	Very low	31.4	Very low	209 Å²	209	160.4 Å²	160.4	79%	0.789	78%	0.775	S	S	*	*			cis	177.7	173.4	-14.3	-146.1	-175.2	-175.5	-165	3.6	107
4	I	33.4	Very low	31.4	Very low	126 Å²	126	156 Å²	156	65%	0.646	77%	0.769	S	S	*	*			trans	75.6	118.3	154.3	-64.5	158.4	0	0	0	114.8
5	L	30.5	Very low	32.3	Very low	160 Å²	160	152.9 Å²	152.9	84%	0.838	77%	0.765	S	S	*	*				65.9	153.4	78	-56	158.6	0	0	0	112.7
6	S	31.6	Very low	32.2	Very low	93 Å²	93	155.6 Å²	155.6	65%	0.65	77%	0.771	S	S	*	*			cis	-171.5	171.5	26.5	79.1	0	0	0	0	114.1
7	V	32.7	Very low	31.9	Very low	116 Å²	116	151.1 Å²	151.1	70%	0.703	77%	0.774	S	S	*	*			trans	70.4	131.7	147.1	170.5	0	0	0	0	118.8	L9	V7-L9 HydrophobicContact CG1-CD1 4.03Å
8	S	30.6	Very low	31.9	Very low	106 Å²	106	154.9 Å²	154.9	74%	0.741	78%	0.777	S	S	*	*			cis	100.1	164.4	18.8	-166.6	0	0	0	0	116.6
9	L	33.1	Very low	31.7	Very low	135 Å²	135	154.8 Å²	154.8	71%	0.707	78%	0.779	S	S	*	*			trans	77.4	143.9	-179.9	-69	103.5	0	0	0	115.2	V7	V7-L9 HydrophobicContact CG1-CD1 4.03Å
10	L	30.9	Very low	31.6	Very low	126 Å²	126	158.2 Å²	158.2	66%	0.66	78%	0.784	S	S	*	*			cis	-147.5	153	0.3	-94.1	148.8	0	0	0	108.9
11	R	32.5	Very low	32.4	Very low	201 Å²	201	156 Å²	156	76%	0.758	78%	0.781	S	S	*	*				50.9	148.7	83.8	-63.6	-167.7	-163.2	169.1	-0.3	116.6
12	H	29.5	Very low	32.1	Very low	142 Å²	142	150.1 Å²	150.1	66%	0.657	76%	0.763	S	S	*	*			cis	-170.5	177.8	-8.2	-111.5	-4.6	0	0	0	109.9
13	F	29.1	Very low	32.1	Very low	196 Å²	196	149.9 Å²	149.9	86%	0.86	76%	0.762	S	S	*	*			trans	105.8	117.6	150.3	-73.4	-74.7	0	0	0	120.2
14	S	31.7	Very low	32.1	Very low	99 Å²	99	146 Å²	146	69%	0.692	76%	0.763	S	S	*	*			trans	-104.2	163.4	154.3	-173.6	0	0	0	0	107.6
15	P	45.5	Very low	31.9	Very low	110 Å²	110	145.7 Å²	145.7	71%	0.714	77%	0.771	S	S	*	*				-152.7	148.4	104.5	33.7	-14	0	0	0	118.2
16	F	29.9	Very low	31.8	Very low	196 Å²	196	146.3 Å²	146.3	86%	0.86	77%	0.774	S	S	*	*			trans	49.9	128.9	139.6	-77.7	-93.7	0	0	0	124
17	G	28	Very low	31.7	Very low	79 Å²	79	147.5 Å²	147.5	81%	0.814	78%	0.783	S	S	*	*			trans	-174.4	124.4	153.2	0	0	0	0	0	112.2
18	R	31	Very low	31.9	Very low	219 Å²	219	149 Å²	149	83%	0.826	79%	0.792	S	S	*	*			trans	-104.7	143.8	-178.9	-63.7	177.7	172.4	179.5	-2.2	112
19	N	29.2	Very low	31.8	Very low	154 Å²	154	147.1 Å²	147.1	82%	0.824	79%	0.789	S	S	*	*				165.7	154.4	113.2	-85.2	-27.6	0	0	0	114.9
20	Y	28	Very low	31.9	Very low	221 Å²	221	145.6 Å²	145.6	87%	0.867	80%	0.796	S	S	*	*			trans	-83.1	-173.5	179.2	-87	-86.2	0	0	0	113.5
21	P	49.3	Very low	32.3	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	81%	0.811	S	S	*	*			cis	-135.6	-170	-19.9	26.1	-2.2	0	0	0	115.1
22	S	28.7	Very low	32.2	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	80%	0.804	S	S	*	*			trans	109.4	144.6	156.4	81.4	0	0	0	0	115.4
23	R	29.5	Very low	32.5	Very low	233 Å²	233	143.2 Å²	143.2	88%	0.879	81%	0.813	S	S	*	*			cis	-147.7	157	4.9	-141.5	174.4	-169	-154.8	4.6	110.8
24	T	28.9	Very low	33	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	81%	0.811	S	S	*	*			trans	-37.3	139.7	173.2	44.6	0	0	0	0	118.1
25	S	29.3	Very low	33.3	Very low	119 Å²	119	142 Å²	142	83%	0.832	81%	0.81	S	S	*	*				-155	136	113.6	58.4	0	0	0	0	111.9
26	L	29	Very low	33.1	Very low	172 Å²	172	142.9 Å²	142.9	90%	0.901	81%	0.808	S	S	*	*			trans	-103.8	126.9	167.5	-94	155.8	0	0	0	107.1
27	S	29.9	Very low	33.5	Very low	118 Å²	118	140.8 Å²	140.8	83%	0.825	81%	0.806	S	S	*	*			trans	-121.4	119.6	159.8	57.4	0	0	0	0	109.2
28	V	36.3	Very low	34.3	Very low	148 Å²	148	145.2 Å²	145.2	90%	0.897	80%	0.803	S	S	*	*			trans	-87.8	120.5	169.7	174.5	0	0	0	0	106.7
29	G	28.9	Very low	34.6	Very low	66 Å²	66	140.8 Å²	140.8	68%	0.68	80%	0.804	S	S	*	*			trans	-156	129.2	-176.3	0	0	0	0	0	113.4
30	A	34.3	Very low	35.5	Very low	103 Å²	103	137.9 Å²	137.9	85%	0.851	80%	0.796	S	S	*	*			trans	61	108.3	168.6	0	0	0	0	0	118.1	G32	A30-G32 PolarHBondContact O-N 3.43Å
31	R	39.5	Very low	36.6	Very low	258 Å²	258	135.8 Å²	135.8	97%	0.974	79%	0.791	S	S	*	*			trans	-62.6	110.8	157.5	-67	173.9	173.9	-175.1	-3.4	109.2
32	G	30.9	Very low	36.6	Very low	59 Å²	59	136.7 Å²	136.7	61%	0.608	80%	0.795	S	S	*	*			trans	-120.6	85.8	166.2	0	0	0	0	0	109.4	A30 F34	A30-G32 PolarHBondContact O-N 3.43Å; G32-F34 VanDerWaalsContact C-N 3.25Å; G32-F34 PolarHBondContact O-N 3.02Å
33	A	36	Very low	37.9	Very low	103 Å²	103	137.8 Å²	137.8	85%	0.851	80%	0.797	S	S	*	*			trans	-73.2	82.1	176.8	0	0	0	0	0	109.9	A35	A33-A35 PolarHBondContact O-N 2.98Å
34	F	38.3	Very low	39.1	Very low	188 Å²	188	131.7 Å²	131.7	83%	0.825	79%	0.79	S	S	*	*			trans	-67.4	86.8	162.8	-90.5	-87.3	0	0	0	108.5	G32 L36	G32-F34 VanDerWaalsContact C-N 3.25Å; G32-F34 PolarHBondContact O-N 3.02Å; F34-L36 PolarHBondContact O-N 2.88Å
35	A	39	Very low	40.6	Very low	80 Å²	80	132 Å²	132	66%	0.661	79%	0.787	S	S	*	*			trans	-66.8	79.4	159.7	0	0	0	0	0	108.1	A33 N37	A33-A35 PolarHBondContact O-N 2.98Å; A35-N37 PolarHBondContact O-N 2.79Å
36	L	41	Very low	42.1	Very low	130 Å²	130	130.1 Å²	130.1	68%	0.681	79%	0.786	S	S	*	*			trans	-63.7	85	157.9	-82.7	165	0	0	0	106.8	F34 F38	F34-L36 PolarHBondContact O-N 2.88Å; L36-F38 HydrophobicContact CB-CD2 4.21Å; L36-F38 HydrophobicContact CB-CE2 4.39Å; L36-F38 PolarHBondContact O-N 3.15Å
37	N	39.3	Very low	44	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	79%	0.785	S	S	*	*			trans	-65.9	77.5	163.5	-80.3	-12.2	0	0	0	107.6	A35 C39	A35-N37 PolarHBondContact O-N 2.79Å; N37-C39 PolarHBondContact O-N 2.72Å; N37-C39 VanDerWaalsContact O-N 3.13Å
38	F	43.7	Very low	46	Very low	172 Å²	172	129 Å²	129	75%	0.754	78%	0.776	S	S	*	*			trans	-53.5	119.3	156.4	-91.4	-89.2	0	0	0	106.5	L36 S40	L36-F38 HydrophobicContact CB-CD2 4.21Å; L36-F38 HydrophobicContact CB-CE2 4.39Å; L36-F38 PolarHBondContact O-N 3.15Å; F38-S40 PolarHBondContact O-N 3.48Å
39	C	37.3	Very low	48.2	Very low	126 Å²	126	129.4 Å²	129.4	85%	0.851	77%	0.77	S	S	*	*			trans	-66.1	87.2	168.4	-170.5	0	0	0	0	107.2	N37 K41	N37-C39 PolarHBondContact O-N 2.72Å; N37-C39 VanDerWaalsContact O-N 3.13Å; C39-K41 PolarHBondContact O-N 2.93Å
40	S	47.4	Very low	50.9	Low	93 Å²	93	131.1 Å²	131.1	65%	0.65	76%	0.763	S	S	*	*			trans	-63.6	121	173.2	49.2	0	0	0	0	107.1	F38 T42	F38-S40 PolarHBondContact O-N 3.48Å; S40-T42 VanDerWaalsContact C-N 3.31Å; S40-T42 PolarHBondContact O-N 3.21Å
41	K	51.7	Low	53.4	Low	178 Å²	178	131 Å²	131	77%	0.774	75%	0.747	S	S	*	*			trans	-63.2	98.1	169.9	-77.3	-166.6	172.6	-162.9	0	108	C39 T43	C39-K41 PolarHBondContact O-N 2.93Å; K41-T43 PolarHBondContact O-N 3.01Å
42	T	49.9	Very low	55.5	Low	131 Å²	131	122.2 Å²	122.2	80%	0.804	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-58.9	133.6	167.1	9.5	0	0	0	0	108.6	S40	S40-T42 VanDerWaalsContact C-N 3.31Å; S40-T42 PolarHBondContact O-N 3.21Å
43	T	54.8	Low	57.9	Low	137 Å²	137	126.2 Å²	126.2	84%	0.84	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-61.4	142.3	-179.9	41.6	0	0	0	0	111.1	K41	K41-T43 PolarHBondContact O-N 3.01Å
44	S	55	Low	60.3	Low	104 Å²	104	128 Å²	128	73%	0.727	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-54.8	131	-170.8	52.9	0	0	0	0	114
45	D	61.7	Low	62.3	Low	137 Å²	137	123.6 Å²	123.6	73%	0.733	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-71.2	149	159.7	-155.1	-9.7	0	0	0	109.8	N47 T48	D45-N47 PolarHBondContact O-N 3.23Å; D45-T48 PolarHBondContact O-N 3.37Å; D45-T48 VanDerWaalsContact O-N 3.15Å
46	G	60.9	Low	64.3	Low	79 Å²	79	125.7 Å²	125.7	81%	0.814	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	8.8	-156.9	0	0	0	0	0	117.6
47	N	68	Low	66.1	Low	164 Å²	164	128 Å²	128	88%	0.877	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.2	11.4	-179.6	-146	14.5	0	0	0	113.3	D45	D45-N47 PolarHBondContact O-N 3.23Å
48	T	72.6	Confident	68.2	Low	103 Å²	103	123.1 Å²	123.1	63%	0.632	67%	0.673	S	S	*	*			trans	-93.6	105.9	-177.7	-47.7	0	0	0	0	111.5	D45	D45-T48 PolarHBondContact O-N 3.37Å; D45-T48 VanDerWaalsContact O-N 3.15Å
49	M	82.7	Confident	69.8	Low	156 Å²	156	118.3 Å²	118.3	77%	0.768	65%	0.65	S	S	*	*			trans	-83.9	114.4	172.4	-170.1	178.3	-75.2	0	0	110.7	L51	M49-L51 HydrophobicContact CG-CD2 3.67Å; M49-L51 PolarHBondContact O-N 2.6Å; M49-L51 HydrophobicContact SD-CD2 3.71Å
50	D	84.4	Confident	71.6	Confident	101 Å²	101	113.8 Å²	113.8	54%	0.54	62%	0.624	S	S	.	*			trans	-81	111.3	175	-179.4	5	0	0	0	110.8	S52	D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.29Å; D50-S52 PolarHBondContact OD1-N 3Å; D50-S52 PolarHBondContact OD1-OG 2.93Å; D50-S52 PolarHBondContact OD2-OG 3.23Å
51	L	87.3	Confident	72.8	Confident	100 Å²	100	115 Å²	115	52%	0.524	62%	0.624	S	S	.	*			trans	-96.9	2.9	179.6	-51.7	-179.7	0	0	0	113.3	M49 N53 M54	M49-L51 HydrophobicContact CG-CD2 3.67Å; M49-L51 PolarHBondContact O-N 2.6Å; M49-L51 HydrophobicContact SD-CD2 3.71Å; L51-N53 PolarHBondContact O-N 2.85Å; L51-N53 VanDerWaalsContact O-N 3.07Å; L51-M54 HydrophobicContact CB-SD 3.99Å; L51-M54 HydrophobicContact CD2-SD 3.65Å; L51-M54 HydrophobicContact CG-SD 4.32Å; L51-M54 WeakPolarHBondContact O-CB 3.34Å; L51-M54 PolarHBondContact O-N 3.33Å; L51-M54 VanDerWaalsContact O-N 3.08Å
52	S	83.6	Confident	73.9	Confident	75 Å²	75	116.1 Å²	116.1	52%	0.524	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.1	-28.4	-168.9	58.5	0	0	0	0	114.9	D50	D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.29Å; D50-S52 PolarHBondContact OD1-N 3Å; D50-S52 PolarHBondContact OD1-OG 2.93Å; D50-S52 PolarHBondContact OD2-OG 3.23Å
53	N	82.1	Confident	75.3	Confident	142 Å²	142	114 Å²	114	76%	0.759	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	4.6	-177.4	-59.7	-61.1	0	0	0	114.3	L51 R55	L51-N53 PolarHBondContact O-N 2.85Å; L51-N53 VanDerWaalsContact O-N 3.07Å; N53-R55 VanDerWaalsContact C-N 3.29Å; N53-R55 PolarHBondContact O-N 2.84Å
54	M	85.6	Confident	76.7	Confident	142 Å²	142	109 Å²	109	70%	0.7	58%	0.583	S	S	*	*			trans	-78.7	-5.3	-179	-65.3	-175.1	71.3	0	0	114.6	L51 K56	L51-M54 HydrophobicContact CB-SD 3.99Å; L51-M54 HydrophobicContact CD2-SD 3.65Å; L51-M54 HydrophobicContact CG-SD 4.32Å; L51-M54 WeakPolarHBondContact O-CB 3.34Å; L51-M54 PolarHBondContact O-N 3.33Å; L51-M54 VanDerWaalsContact O-N 3.08Å; M54-K56 PolarHBondContact O-N 3.13Å
55	R	79.7	Confident	78.6	Confident	95 Å²	95	104.6 Å²	104.6	36%	0.358	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-69.3	116.8	-178.8	177.2	165.1	175	149.6	-6.7	111	N53 Q239 H244	N53-R55 VanDerWaalsContact C-N 3.29Å; N53-R55 PolarHBondContact O-N 2.84Å; R55-Q239 PolarHBondContact NH2-O 3.18Å; R55-Q239 VanDerWaalsContact NH2-O 3.09Å; R55-H244 PolarHBondContact NH1-NE2 2.83Å; R55-H244 PolarHBondContact NH2-CE1 3.25Å; R55-H244 PolarHBondContact NH2-NE2 2.93Å
56	K	80.8	Confident	80.1	Confident	123 Å²	123	102.6 Å²	102.6	54%	0.535	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-64.4	154.7	166.2	-61.8	-176.9	-174.6	174.6	0	110.7	M54 E151	M54-K56 PolarHBondContact O-N 3.13Å; K56-E151 VanDerWaalsContact CD-OE1 3.3Å; K56-E151 WeakPolarHBondContact CD-OE1 3.44Å; K56-E151 VanDerWaalsContact CE-OE1 3.28Å; K56-E151 WeakPolarHBondContact CE-OE1 3.39Å; K56-E151 IonicContact NZ-OE1 3.53Å; K56-E151 PolarHBondContact NZ-OE1 3.07Å; K56-E151 IonicContact NZ-OE2 2.82Å; K56-E151 PolarHBondContact NZ-OE2 2.67Å
57	K	79.7	Confident	81.8	Confident	178 Å²	178	101.5 Å²	101.5	77%	0.774	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-68.5	152.2	164	-67.2	-175.2	178.2	-176.8	0	109.1
58	Y	83.8	Confident	83	Confident	50 Å²	50	98 Å²	98	20%	0.196	50%	0.499	C	S	.	.			trans	-116.9	-153.6	176.4	-57.4	-37.2	0	0	0	109.5	H154 W236 G238 T240 H244	Y58-H154 VanDerWaalsContact CA-CD2 3.46Å; Y58-H154 WeakPolarHBondContact CA-CD2 3.29Å; Y58-H154 HydrophobicContact CD1-CB 4.01Å; Y58-H154 AromaticContact CD1-CD2 3.59Å; Y58-H154 AromaticContact CD1-CE1 3.7Å; Y58-H154 AromaticContact CD1-CG 3.4Å; Y58-H154 AromaticContact CD1-ND1 3.48Å; Y58-H154 WeakPolarHBondContact CD1-ND1 3.46Å; Y58-H154 AromaticContact CD1-NE2 3.74Å; Y58-H154 HydrophobicContact CE1-CB 4.48Å; Y58-H154 AromaticContact CE1-ND1 3.78Å; Y58-H154 HydrophobicContact CG-CB 4.25Å; Y58-H154 AromaticContact CG-CG 3.98Å; Y58-W236 HydrophobicContact CE2-CH2 4.22Å; Y58-G238 VanDerWaalsContact CB-O 3.28Å; Y58-G238 WeakPolarHBondContact CB-O 3.49Å; Y58-T240 PolarHBondContact N-OG1 3.47Å; Y58-T240 PolarHBondContact O-OG1 3.14Å; Y58-H244 AromaticContact CD2-CE1 3.86Å; Y58-H244 AromaticContact CE2-CE1 3.79Å
59	R	77	Confident	84.1	Confident	71 Å²	71	97.8 Å²	97.8	27%	0.268	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-64.7	162.3	172.2	-70.4	-168.1	-169.1	-91.6	2.2	113	E63 G238 Q239 T240	R59-E63 WeakPolarHBondContact CA-OE2 3.44Å; R59-E63 HydrophobicContact CB-CB 3.95Å; R59-E63 WeakPolarHBondContact CB-OE2 3.35Å; R59-E63 HydrophobicContact CG-CB 4.32Å; R59-E63 IonicContact CZ-OE1 2.97Å; R59-E63 IonicContact NH1-OE1 2.88Å; R59-E63 PolarHBondContact NH1-OE1 2.68Å; R59-G238 PolarHBondContact N-O 3.15Å; R59-Q239 PolarHBondContact O-OE1 3.48Å; R59-T240 WeakPolarHBondContact O-CB 3.42Å; R59-T240 PolarHBondContact O-N 3.13Å; R59-T240 PolarHBondContact O-OG1 3.46Å
60	G	74	Confident	84.8	Confident	30 Å²	30	91.3 Å²	91.3	31%	0.309	46%	0.459	S	S	.	.			trans	-91.9	169.5	175.2	0	0	0	0	0	113.1	E62 E63 Q239	G60-E62 PolarHBondContact O-N 2.52Å; G60-E63 PolarHBondContact N-OE2 2.88Å; G60-E63 VanDerWaalsContact N-OE2 3.15Å; G60-E63 CarbonylContact O-C 3.6Å; G60-E63 WeakPolarHBondContact O-CA 3.42Å; G60-E63 WeakPolarHBondContact O-CB 3.27Å; G60-E63 PolarHBondContact O-N 3.11Å; G60-Q239 PolarHBondContact O-OE1 3.19Å; G60-Q239 VanDerWaalsContact O-OE1 3.07Å
61	D	73.8	Confident	85.4	Confident	119 Å²	119	89.2 Å²	89.2	64%	0.636	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-60	-32.2	178	-145	53.1	0	0	0	112.2	E63 C64 N241	D61-E63 PolarHBondContact O-N 3.44Å; D61-C64 WeakPolarHBondContact O-CB 3.27Å; D61-C64 PolarHBondContact O-N 3.41Å; D61-N241 PolarHBondContact OD1-ND2 3.49Å
62	E	74.3	Confident	85.9	Confident	202 Å²	202	85.2 Å²	85.2	94%	0.944	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-66.5	-10.3	173	-60.2	176.7	-173.4	0	0	113.5	G60	G60-E62 PolarHBondContact O-N 2.52Å
63	E	79	Confident	86.6	Confident	87 Å²	87	84.6 Å²	84.6	41%	0.407	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-119.1	35.4	175.6	-57.7	178	92.3	0	0	111	R59 G60 D61 Q239	R59-E63 WeakPolarHBondContact CA-OE2 3.44Å; R59-E63 HydrophobicContact CB-CB 3.95Å; R59-E63 WeakPolarHBondContact CB-OE2 3.35Å; R59-E63 HydrophobicContact CG-CB 4.32Å; R59-E63 IonicContact CZ-OE1 2.97Å; R59-E63 IonicContact NH1-OE1 2.88Å; R59-E63 PolarHBondContact NH1-OE1 2.68Å; G60-E63 PolarHBondContact N-OE2 2.88Å; G60-E63 VanDerWaalsContact N-OE2 3.15Å; G60-E63 CarbonylContact O-C 3.6Å; G60-E63 WeakPolarHBondContact O-CA 3.42Å; G60-E63 WeakPolarHBondContact O-CB 3.27Å; G60-E63 PolarHBondContact O-N 3.11Å; D61-E63 PolarHBondContact O-N 3.44Å; E63-Q239 PolarHBondContact O-NE2 2.68Å
64	C	85.8	Confident	87.3	Confident	32 Å²	32	79.2 Å²	79.2	22%	0.216	40%	0.403	C	S	.	.			trans	-48.2	150.5	167.1	-168.5	0	0	0	0	111.3	D61 E66 Q69 D245	D61-C64 WeakPolarHBondContact O-CB 3.27Å; D61-C64 PolarHBondContact O-N 3.41Å; C64-E66 HydrophobicContact CB-CG 4.2Å; C64-Q69 PolarHBondContact O-NE2 2.95Å; C64-Q69 PolarHBondContact O-OE1 2.89Å; C64-D245 PolarHBondContact SG-OD1 3.15Å
65	F	93.3	Very high	88	Confident	11 Å²	11	72.5 Å²	72.5	5%	0.048	37%	0.37	C	S	.	.			trans	-107.6	89.4	165.7	179.8	-117.7	0	0	0	109.8	Q69 L70 W82 F235 Q237 D245 I247 R273	F65-Q69 HydrophobicContact CD2-CB 4.1Å; F65-Q69 HydrophobicContact CE2-CB 4.26Å; F65-L70 HydrophobicContact CE1-CD2 4.48Å; F65-L70 HydrophobicContact CZ-CD2 3.88Å; F65-W82 HydrophobicContact CD1-CH2 4.16Å; F65-W82 AromaticContact CD1-CZ2 3.77Å; F65-W82 HydrophobicContact CD1-CZ2 3.77Å; F65-W82 HydrophobicContact CD2-CZ2 4.12Å; F65-W82 AromaticContact CE1-CH2 3.98Å; F65-W82 HydrophobicContact CE1-CH2 3.98Å; F65-W82 AromaticContact CE1-CZ2 3.48Å; F65-W82 HydrophobicContact CE1-CZ2 3.48Å; F65-W82 VanDerWaalsContact CE1-CZ2 3.48Å; F65-W82 AromaticContact CE2-CZ2 3.87Å; F65-W82 HydrophobicContact CE2-CZ2 3.87Å; F65-W82 HydrophobicContact CG-CZ2 4.08Å; F65-W82 AromaticContact CZ-CE2 4Å; F65-W82 HydrophobicContact CZ-CH2 4.43Å; F65-W82 AromaticContact CZ-CZ2 3.53Å; F65-W82 HydrophobicContact CZ-CZ2 3.53Å; F65-F235 HydrophobicContact CE1-CB 3.95Å; F65-Q237 HydrophobicContact CB-CB 3.76Å; F65-Q237 HydrophobicContact CB-CG 3.99Å; F65-Q237 HydrophobicContact CD1-CB 4.41Å; F65-Q237 HydrophobicContact CG-CB 4.34Å; F65-D245 HydrophobicContact CB-CB 3.86Å; F65-D245 HydrophobicContact CD1-CB 4.35Å; F65-D245 VanDerWaalsContact N-CG 3.35Å; F65-D245 PolarHBondContact N-OD2 2.78Å; F65-I247 HydrophobicContact CD1-CD1 4.17Å; F65-I247 HydrophobicContact CE1-CD1 3.9Å; F65-I247 HydrophobicContact CE1-CG1 4.47Å; F65-I247 HydrophobicContact CZ-CD1 4.46Å; F65-R273 PolarHBondContact O-NH2 3.35Å
66	E	94.2	Very high	88.9	Confident	95 Å²	95	68.7 Å²	68.7	44%	0.444	36%	0.357	S	S	.	.			trans	-83	162.1	176.8	-61.5	-173.7	176.3	0	0	112.8	C64 S68 Q69	C64-E66 HydrophobicContact CB-CG 4.2Å; E66-S68 WeakPolarHBondContact CB-OG 3.41Å; E66-S68 PolarHBondContact O-N 3.17Å; E66-S68 PolarHBondContact OE2-OG 2.74Å; E66-S68 VanDerWaalsContact OE2-OG 3.11Å; E66-Q69 WeakPolarHBondContact O-CB 3.28Å; E66-Q69 PolarHBondContact O-N 3.31Å
67	E	95.9	Very high	89.7	Confident	56 Å²	56	67.6 Å²	67.6	26%	0.262	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-56.6	-31.4	171.7	-68.5	69.7	-165.6	0	0	111.5	Q69 L70 I247 Y271 R273	E67-Q69 PolarHBondContact O-N 2.84Å; E67-L70 WeakPolarHBondContact O-CB 3.29Å; E67-L70 WeakPolarHBondContact O-CG 3.39Å; E67-L70 PolarHBondContact O-N 3.04Å; E67-I247 HydrophobicContact CG-CD1 4.12Å; E67-Y271 HydrophobicContact CB-CE2 4.18Å; E67-Y271 HydrophobicContact CG-CD2 4.43Å; E67-Y271 HydrophobicContact CG-CE2 3.73Å; E67-R273 VanDerWaalsContact CD-NH2 3.32Å; E67-R273 WeakPolarHBondContact OE1-CB 3.06Å; E67-R273 IonicContact OE1-CZ 3.87Å; E67-R273 IonicContact OE1-NE 2.66Å; E67-R273 PolarHBondContact OE1-NE 3.01Å; E67-R273 IonicContact OE1-NH2 3.71Å; E67-R273 PolarHBondContact OE1-NH2 3.35Å; E67-R273 VanDerWaalsContact OE1-NH2 3.15Å; E67-R273 IonicContact OE2-CZ 3.45Å; E67-R273 IonicContact OE2-NE 2.83Å; E67-R273 PolarHBondContact OE2-NE 3.11Å; E67-R273 IonicContact OE2-NH2 2.68Å; E67-R273 PolarHBondContact OE2-NH2 3.21Å
68	S	94.4	Very high	90.6	Very high	90 Å²	90	59.2 Å²	59.2	63%	0.629	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.4	175	65.4	0	0	0	0	113.7	E66	E66-S68 WeakPolarHBondContact CB-OG 3.41Å; E66-S68 PolarHBondContact O-N 3.17Å; E66-S68 PolarHBondContact OE2-OG 2.74Å; E66-S68 VanDerWaalsContact OE2-OG 3.11Å
69	Q	95.3	Very high	91.3	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-101	6.6	-179.3	-65	159.4	-70.3	0	0	112.9	C64 F65 E66 E67 G71	C64-Q69 PolarHBondContact O-NE2 2.95Å; C64-Q69 PolarHBondContact O-OE1 2.89Å; F65-Q69 HydrophobicContact CD2-CB 4.1Å; F65-Q69 HydrophobicContact CE2-CB 4.26Å; E66-Q69 WeakPolarHBondContact O-CB 3.28Å; E66-Q69 PolarHBondContact O-N 3.31Å; E67-Q69 PolarHBondContact O-N 2.84Å; Q69-G71 PolarHBondContact O-N 2.68Å
70	L	97.1	Very high	92.3	Very high	21 Å²	21	54 Å²	54	11%	0.11	30%	0.299	C	S	.	.			trans	-63.6	115.2	165.9	-70.9	168.2	0	0	0	109.5	F65 E67 S72 L73 Q78 I247 F249 Y271	F65-L70 HydrophobicContact CE1-CD2 4.48Å; F65-L70 HydrophobicContact CZ-CD2 3.88Å; E67-L70 WeakPolarHBondContact O-CB 3.29Å; E67-L70 WeakPolarHBondContact O-CG 3.39Å; E67-L70 PolarHBondContact O-N 3.04Å; L70-S72 PolarHBondContact O-N 3.08Å; L70-L73 HydrophobicContact CD1-CD2 3.89Å; L70-Q78 HydrophobicContact CD2-CG 4Å; L70-I247 HydrophobicContact CD1-CD1 4.38Å; L70-I247 HydrophobicContact CD1-CG2 4.32Å; L70-I247 HydrophobicContact CD2-CD1 4.26Å; L70-I247 HydrophobicContact CD2-CG2 4.36Å; L70-I247 HydrophobicContact CG-CD1 4.23Å; L70-F249 HydrophobicContact CD1-CZ 4Å; L70-F249 HydrophobicContact CD2-CE2 3.96Å; L70-F249 HydrophobicContact CD2-CZ 3.94Å; L70-Y271 HydrophobicContact CD1-CD2 4.29Å; L70-Y271 HydrophobicContact CD1-CE2 4.11Å
71	G	96.5	Very high	93.5	Very high	56 Å²	56	55.4 Å²	55.4	58%	0.577	30%	0.3	S	S	*	.	S	Bend	trans	-72.5	-7.4	175.1	0	0	0	0	0	113.8	Q69 N81	Q69-G71 PolarHBondContact O-N 2.68Å; G71-N81 VanDerWaalsContact C-ND2 3.3Å; G71-N81 WeakPolarHBondContact CA-ND2 3.35Å; G71-N81 PolarHBondContact O-ND2 2.93Å
72	S	98.1	Very high	94.7	Very high	17 Å²	17	50 Å²	50	12%	0.119	27%	0.27	C	S	.	.			trans	-162.4	153.8	164.7	-178.5	0	0	0	0	111.1	L70 D74 E266	L70-S72 PolarHBondContact O-N 3.08Å; S72-D74 VanDerWaalsContact C-N 3.35Å; S72-D74 PolarHBondContact OG-N 3.38Å; S72-E266 PolarHBondContact OG-OE1 2.98Å; S72-E266 VanDerWaalsContact OG-OE1 3.12Å
73	L	97.9	Very high	95.8	Very high	62 Å²	62	42 Å²	42	33%	0.325	23%	0.233	S	C	.	.	S	Bend	trans	-90	1.1	168.4	-60.9	-176.1	0	0	0	112.7	L70 A265 E266 Y271	L70-L73 HydrophobicContact CD1-CD2 3.89Å; L73-A265 HydrophobicContact CB-CB 4.31Å; L73-A265 WeakPolarHBondContact O-CB 3.22Å; L73-E266 HydrophobicContact CB-CG 4.11Å; L73-E266 PolarHBondContact N-OE1 2.82Å; L73-E266 PolarHBondContact O-N 2.8Å; L73-Y271 HydrophobicContact CD2-CD1 4.34Å; L73-Y271 HydrophobicContact CD2-CE1 3.7Å
74	D	98.1	Very high	96.8	Very high	29 Å²	29	41.2 Å²	41.2	16%	0.155	23%	0.231	C	C	.	.	S	Bend	trans	-88.8	115.5	159.5	178.8	-19.9	0	0	0	108.4	S72 I76 K77 Q78 E266	S72-D74 VanDerWaalsContact C-N 3.35Å; S72-D74 PolarHBondContact OG-N 3.38Å; D74-I76 PolarHBondContact O-N 3.3Å; D74-I76 WeakPolarHBondContact OD1-CB 3.29Å; D74-I76 PolarHBondContact OD1-N 3.09Å; D74-K77 HydrophobicContact CB-CB 4.11Å; D74-K77 HydrophobicContact CB-CD 3.78Å; D74-K77 HydrophobicContact CB-CG 3.87Å; D74-K77 PolarHBondContact O-N 2.72Å; D74-K77 VanDerWaalsContact O-N 3.11Å; D74-K77 WeakPolarHBondContact OD2-CE 3.4Å; D74-K77 IonicContact OD2-NZ 2.91Å; D74-Q78 PolarHBondContact O-N 3.32Å; D74-E266 HydrophobicContact CB-CB 3.98Å; D74-E266 PolarHBondContact N-OE1 3.12Å
75	P	98.4	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-18.8	-176.2	27.6	-34.6	0	0	0	113.8	F79 I233 F235 F249 W269	P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 3.44Å; P75-I233 HydrophobicContact CB-CB 4.19Å; P75-I233 HydrophobicContact CB-CD1 4Å; P75-I233 HydrophobicContact CB-CG2 4.5Å; P75-I233 HydrophobicContact CG-CD1 4.31Å; P75-F235 HydrophobicContact CB-CE2 4.15Å; P75-F235 WeakPolarHBondContact O-CZ 3.46Å; P75-F249 HydrophobicContact CB-CB 3.79Å; P75-F249 HydrophobicContact CB-CD1 3.76Å; P75-F249 HydrophobicContact CB-CD2 3.93Å; P75-F249 HydrophobicContact CB-CE1 4.27Å; P75-F249 HydrophobicContact CB-CE2 4.43Å; P75-F249 HydrophobicContact CB-CG 3.57Å; P75-F249 HydrophobicContact CG-CB 3.94Å; P75-F249 HydrophobicContact CG-CD1 3.88Å; P75-F249 HydrophobicContact CG-CG 4.01Å; P75-W269 HydrophobicContact CG-CD2 3.57Å; P75-W269 HydrophobicContact CG-CE3 3.99Å; P75-W269 HydrophobicContact CG-CG 3.85Å; P75-W269 HydrophobicContact CG-CH2 4.44Å; P75-W269 HydrophobicContact CG-CZ2 4.03Å; P75-W269 HydrophobicContact CG-CZ3 4.4Å
76	I	98.5	Very high	97.6	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-77.8	-35.6	175.2	-60.1	174.5	0	0	0	110	D74 G80 Y119 P230 I233	D74-I76 PolarHBondContact O-N 3.3Å; D74-I76 WeakPolarHBondContact OD1-CB 3.29Å; D74-I76 PolarHBondContact OD1-N 3.09Å; I76-G80 PolarHBondContact O-N 2.95Å; I76-G80 VanDerWaalsContact O-N 3.09Å; I76-Y119 HydrophobicContact CG2-CD2 4.1Å; I76-P230 HydrophobicContact CD1-CG 4.22Å; I76-I233 HydrophobicContact CG1-CD1 4.3Å
77	K	98.4	Very high	97.8	Very high	100 Å²	100	41.8 Å²	41.8	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-68.7	-40.6	169.6	-61.8	178.1	-156.9	155.1	0	111.2	D74 F79 G80 N81 E266	D74-K77 HydrophobicContact CB-CB 4.11Å; D74-K77 HydrophobicContact CB-CD 3.78Å; D74-K77 HydrophobicContact CB-CG 3.87Å; D74-K77 PolarHBondContact O-N 2.72Å; D74-K77 VanDerWaalsContact O-N 3.11Å; D74-K77 WeakPolarHBondContact OD2-CE 3.4Å; D74-K77 IonicContact OD2-NZ 2.91Å; K77-F79 VanDerWaalsContact C-N 3.34Å; K77-F79 PolarHBondContact O-N 3.4Å; K77-G80 CarbonylContact O-C 3.59Å; K77-G80 WeakPolarHBondContact O-CA 3.36Å; K77-G80 PolarHBondContact O-N 2.76Å; K77-N81 PolarHBondContact O-N 2.83Å; K77-E266 IonicContact NZ-OE2 2.62Å; K77-E266 PolarHBondContact NZ-OE2 3.18Å
78	Q	98.7	Very high	97.9	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-36.8	175.8	-177.5	55.9	19.8	0	0	112.6	L70 D74 G80 N81 W82 F235	L70-Q78 HydrophobicContact CD2-CG 4Å; D74-Q78 PolarHBondContact O-N 3.32Å; Q78-G80 VanDerWaalsContact C-N 3.32Å; Q78-N81 PolarHBondContact O-N 2.87Å; Q78-N81 PolarHBondContact OE1-ND2 3.32Å; Q78-N81 VanDerWaalsContact OE1-ND2 3.15Å; Q78-W82 PolarHBondContact O-N 3.39Å; Q78-F235 HydrophobicContact CB-CE1 4.24Å; Q78-F235 HydrophobicContact CB-CE2 4.18Å; Q78-F235 HydrophobicContact CB-CZ 3.75Å; Q78-F235 HydrophobicContact CG-CD1 4.12Å; Q78-F235 HydrophobicContact CG-CD2 4.27Å; Q78-F235 HydrophobicContact CG-CE1 3.7Å; Q78-F235 HydrophobicContact CG-CE2 3.86Å; Q78-F235 HydrophobicContact CG-CG 4.39Å; Q78-F235 HydrophobicContact CG-CZ 3.57Å
79	F	98.8	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-47	166.4	171.8	-85.7	0	0	0	111	P75 K77 N81 W82 F83 L116 Y119 F124 F148 I157 I159 F235	P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 3.44Å; K77-F79 VanDerWaalsContact C-N 3.34Å; K77-F79 PolarHBondContact O-N 3.4Å; F79-N81 VanDerWaalsContact C-N 3.33Å; F79-N81 PolarHBondContact O-N 3.38Å; F79-W82 PolarHBondContact O-N 2.88Å; F79-F83 HydrophobicContact CD1-CB 4.3Å; F79-F83 HydrophobicContact CE1-CB 3.88Å; F79-F83 HydrophobicContact CE1-CD2 4.03Å; F79-F83 AromaticContact CE1-CG 4Å; F79-F83 HydrophobicContact CE1-CG 4Å; F79-F83 HydrophobicContact CZ-CB 4.18Å; F79-F83 AromaticContact CZ-CD2 3.77Å; F79-F83 HydrophobicContact CZ-CD2 3.77Å; F79-F83 HydrophobicContact CZ-CG 4.19Å; F79-F83 WeakPolarHBondContact O-CB 3.45Å; F79-F83 PolarHBondContact O-N 2.83Å; F79-L116 HydrophobicContact CE1-CD2 4.09Å; F79-L116 HydrophobicContact CZ-CD2 3.81Å; F79-Y119 HydrophobicContact CD1-CD1 4.33Å; F79-Y119 AromaticContact CD1-CD2 3.96Å; F79-Y119 HydrophobicContact CD1-CD2 3.96Å; F79-Y119 HydrophobicContact CD1-CE1 4.21Å; F79-Y119 AromaticContact CD1-CE2 3.83Å; F79-Y119 HydrophobicContact CD1-CE2 3.83Å; F79-Y119 HydrophobicContact CD1-CG 4.22Å; F79-Y119 AromaticContact CD1-CZ 3.96Å; F79-Y119 AromaticContact CE1-CD1 3.74Å; F79-Y119 HydrophobicContact CE1-CD1 3.74Å; F79-Y119 HydrophobicContact CE1-CD2 4.21Å; F79-Y119 AromaticContact CE1-CE1 3.69Å; F79-Y119 HydrophobicContact CE1-CE1 3.69Å; F79-Y119 HydrophobicContact CE1-CE2 4.16Å; F79-Y119 HydrophobicContact CE1-CG 4.02Å; F79-Y119 AromaticContact CE1-CZ 3.91Å; F79-F124 HydrophobicContact CB-CZ 4.38Å; F79-F124 AromaticContact CD1-CE1 3.69Å; F79-F124 HydrophobicContact CD1-CE1 3.69Å; F79-F124 HydrophobicContact CD1-CZ 4.3Å; F79-F124 AromaticContact CD2-CE1 3.84Å; F79-F124 HydrophobicContact CD2-CE1 3.84Å; F79-F124 HydrophobicContact CD2-CZ 4.26Å; F79-F124 AromaticContact CE1-CE1 3.8Å; F79-F124 HydrophobicContact CE1-CE1 3.8Å; F79-F124 AromaticContact CE2-CE1 3.94Å; F79-F124 HydrophobicContact CE2-CE1 3.94Å; F79-F124 AromaticContact CG-CE1 3.74Å; F79-F124 HydrophobicContact CG-CE1 3.74Å; F79-F124 HydrophobicContact CG-CZ 4.04Å; F79-F124 HydrophobicContact CZ-CD1 4.47Å; F79-F124 AromaticContact CZ-CE1 3.93Å; F79-F124 HydrophobicContact CZ-CE1 3.93Å; F79-F148 HydrophobicContact CE2-CD1 4.43Å; F79-F148 AromaticContact CE2-CD2 3.92Å; F79-F148 HydrophobicContact CE2-CD2 3.92Å; F79-F148 HydrophobicContact CE2-CE1 4.24Å; F79-F148 AromaticContact CE2-CE2 3.73Å; F79-F148 HydrophobicContact CE2-CE2 3.73Å; F79-F148 HydrophobicContact CE2-CG 4.29Å; F79-F148 AromaticContact CE2-CZ 3.9Å; F79-F148 HydrophobicContact CE2-CZ 3.9Å; F79-F148 HydrophobicContact CZ-CE1 4.12Å; F79-F148 HydrophobicContact CZ-CE2 4.22Å; F79-F148 AromaticContact CZ-CZ 3.91Å; F79-F148 HydrophobicContact CZ-CZ 3.91Å; F79-I157 HydrophobicContact CD2-CD1 3.54Å; F79-I157 HydrophobicContact CD2-CG2 4.27Å; F79-I157 HydrophobicContact CE2-CD1 4.04Å; F79-I157 HydrophobicContact CG-CD1 4.41Å; F79-I159 HydrophobicContact CD2-CD1 4.27Å; F79-I159 HydrophobicContact CE2-CD1 4.35Å; F79-F235 HydrophobicContact CB-CE1 4.47Å; F79-F235 HydrophobicContact CB-CZ 4.43Å
80	G	98.6	Very high	98.2	Very high	12 Å²	12	43.4 Å²	43.4	12%	0.124	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-42.6	178.5	0	0	0	0	0	113.5	I76 K77 Q78 F83 D84 Y119	I76-G80 PolarHBondContact O-N 2.95Å; I76-G80 VanDerWaalsContact O-N 3.09Å; K77-G80 CarbonylContact O-C 3.59Å; K77-G80 WeakPolarHBondContact O-CA 3.36Å; K77-G80 PolarHBondContact O-N 2.76Å; Q78-G80 VanDerWaalsContact C-N 3.32Å; G80-F83 PolarHBondContact O-N 3.22Å; G80-D84 WeakPolarHBondContact O-CB 3.36Å; G80-D84 PolarHBondContact O-N 3.13Å; G80-Y119 WeakPolarHBondContact CA-OH 3.42Å
81	N	98.4	Very high	98.2	Very high	60 Å²	60	48.5 Å²	48.5	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-53.7	176.2	-63.5	-24.2	0	0	0	111.7	G71 K77 Q78 F79 F83 D84 E85	G71-N81 VanDerWaalsContact C-ND2 3.3Å; G71-N81 WeakPolarHBondContact CA-ND2 3.35Å; G71-N81 PolarHBondContact O-ND2 2.93Å; K77-N81 PolarHBondContact O-N 2.83Å; Q78-N81 PolarHBondContact O-N 2.87Å; Q78-N81 PolarHBondContact OE1-ND2 3.32Å; Q78-N81 VanDerWaalsContact OE1-ND2 3.15Å; F79-N81 VanDerWaalsContact C-N 3.33Å; F79-N81 PolarHBondContact O-N 3.38Å; N81-F83 VanDerWaalsContact C-N 3.32Å; N81-F83 PolarHBondContact O-N 3.39Å; N81-D84 PolarHBondContact O-N 2.79Å; N81-E85 PolarHBondContact O-N 3.13Å; N81-E85 VanDerWaalsContact O-N 3.12Å
82	W	98.6	Very high	98.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-67.8	-31.8	179.3	-83.4	18.3	0	0	0	113.1	F65 Q78 F79 A86 W150 R155 I157 F235 W236 Q237	F65-W82 HydrophobicContact CD1-CH2 4.16Å; F65-W82 AromaticContact CD1-CZ2 3.77Å; F65-W82 HydrophobicContact CD1-CZ2 3.77Å; F65-W82 HydrophobicContact CD2-CZ2 4.12Å; F65-W82 AromaticContact CE1-CH2 3.98Å; F65-W82 HydrophobicContact CE1-CH2 3.98Å; F65-W82 AromaticContact CE1-CZ2 3.48Å; F65-W82 HydrophobicContact CE1-CZ2 3.48Å; F65-W82 VanDerWaalsContact CE1-CZ2 3.48Å; F65-W82 AromaticContact CE2-CZ2 3.87Å; F65-W82 HydrophobicContact CE2-CZ2 3.87Å; F65-W82 HydrophobicContact CG-CZ2 4.08Å; F65-W82 AromaticContact CZ-CE2 4Å; F65-W82 HydrophobicContact CZ-CH2 4.43Å; F65-W82 AromaticContact CZ-CZ2 3.53Å; F65-W82 HydrophobicContact CZ-CZ2 3.53Å; Q78-W82 PolarHBondContact O-N 3.39Å; F79-W82 PolarHBondContact O-N 2.88Å; W82-A86 WeakPolarHBondContact O-CB 3.5Å; W82-A86 PolarHBondContact O-N 3.13Å; W82-W150 HydrophobicContact CB-CH2 4.4Å; W82-W150 HydrophobicContact CB-CZ3 3.94Å; W82-W150 HydrophobicContact CE3-CZ3 4.3Å; W82-R155 HydrophobicContact CE3-CB 4.09Å; W82-R155 HydrophobicContact CE3-CG 4.09Å; W82-R155 HydrophobicContact CH2-CB 4.44Å; W82-R155 HydrophobicContact CH2-CG 3.9Å; W82-R155 HydrophobicContact CZ2-CG 4.31Å; W82-R155 HydrophobicContact CZ3-CB 3.85Å; W82-R155 HydrophobicContact CZ3-CG 3.78Å; W82-I157 HydrophobicContact CB-CD1 4.21Å; W82-I157 HydrophobicContact CE3-CD1 3.94Å; W82-I157 HydrophobicContact CE3-CG1 3.72Å; W82-I157 HydrophobicContact CZ3-CG1 4.17Å; W82-F235 HydrophobicContact CD2-CD1 4.01Å; W82-F235 AromaticContact CE3-CD1 3.74Å; W82-F235 HydrophobicContact CE3-CD1 3.74Å; W82-F235 HydrophobicContact CH2-CB 3.88Å; W82-F235 HydrophobicContact CH2-CD1 4.44Å; W82-F235 HydrophobicContact CZ2-CB 4.39Å; W82-F235 HydrophobicContact CZ3-CB 3.98Å; W82-F235 AromaticContact CZ3-CD1 3.97Å; W82-F235 HydrophobicContact CZ3-CD1 3.97Å; W82-W236 WeakPolarHBondContact CH2-O 3.22Å; W82-W236 WeakPolarHBondContact CZ3-O 3.43Å; W82-Q237 HydrophobicContact CH2-CB 4.33Å
83	F	98.8	Very high	98.3	Very high	36 Å²	36	49.5 Å²	49.5	16%	0.158	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-41.3	175.2	-176.4	-93.7	0	0	0	111.5	F79 G80 N81 A86 T87 P95 N96 Y119 W150	F79-F83 HydrophobicContact CD1-CB 4.3Å; F79-F83 HydrophobicContact CE1-CB 3.88Å; F79-F83 HydrophobicContact CE1-CD2 4.03Å; F79-F83 AromaticContact CE1-CG 4Å; F79-F83 HydrophobicContact CE1-CG 4Å; F79-F83 HydrophobicContact CZ-CB 4.18Å; F79-F83 AromaticContact CZ-CD2 3.77Å; F79-F83 HydrophobicContact CZ-CD2 3.77Å; F79-F83 HydrophobicContact CZ-CG 4.19Å; F79-F83 WeakPolarHBondContact O-CB 3.45Å; F79-F83 PolarHBondContact O-N 2.83Å; G80-F83 PolarHBondContact O-N 3.22Å; N81-F83 VanDerWaalsContact C-N 3.32Å; N81-F83 PolarHBondContact O-N 3.39Å; F83-A86 WeakPolarHBondContact O-CB 3.3Å; F83-A86 PolarHBondContact O-N 3.44Å; F83-T87 HydrophobicContact CD1-CG2 4.1Å; F83-T87 HydrophobicContact CE1-CG2 3.67Å; F83-T87 HydrophobicContact CZ-CG2 4.01Å; F83-T87 WeakPolarHBondContact O-CG2 3.36Å; F83-T87 PolarHBondContact O-N 2.82Å; F83-P95 HydrophobicContact CE2-CB 4.22Å; F83-N96 HydrophobicContact CE2-CB 3.93Å; F83-N96 HydrophobicContact CZ-CB 4.02Å; F83-Y119 HydrophobicContact CD1-CE1 4.35Å; F83-W150 HydrophobicContact CB-CH2 4.47Å; F83-W150 HydrophobicContact CD2-CZ2 4.06Å
84	D	98.6	Very high	98.3	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-47	173.8	173.5	68.5	0	0	0	111.2	G80 N81 A86 T87 K88	G80-D84 WeakPolarHBondContact O-CB 3.36Å; G80-D84 PolarHBondContact O-N 3.13Å; N81-D84 PolarHBondContact O-N 2.79Å; D84-A86 VanDerWaalsContact C-N 3.31Å; D84-A86 PolarHBondContact O-N 3.46Å; D84-T87 PolarHBondContact O-N 2.8Å; D84-T87 VanDerWaalsContact O-N 3.14Å; D84-T87 PolarHBondContact O-OG1 3.11Å; D84-K88 WeakPolarHBondContact O-CG 3.42Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact O-N 3.13Å; D84-K88 WeakPolarHBondContact OD1-CE 3.29Å; D84-K88 IonicContact OD1-NZ 2.67Å; D84-K88 PolarHBondContact OD1-NZ 2.89Å; D84-K88 WeakPolarHBondContact OD2-CE 2.76Å; D84-K88 IonicContact OD2-NZ 3.38Å; D84-K88 PolarHBondContact OD2-NZ 2.9Å
85	E	98.3	Very high	98.3	Very high	76 Å²	76	51.6 Å²	51.6	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-55.6	-43.5	171	-71.8	175.8	-93.7	0	0	112.2	N81 T87 K88 C89 R155	N81-E85 PolarHBondContact O-N 3.13Å; N81-E85 VanDerWaalsContact O-N 3.12Å; E85-T87 PolarHBondContact O-N 3.01Å; E85-K88 PolarHBondContact O-N 3.23Å; E85-C89 PolarHBondContact O-N 3.26Å; E85-R155 IonicContact OE1-CZ 3.46Å; E85-R155 IonicContact OE1-NH1 2.67Å; E85-R155 PolarHBondContact OE1-NH1 2.96Å; E85-R155 IonicContact OE1-NH2 3.94Å; E85-R155 IonicContact OE2-CZ 3.6Å; E85-R155 VanDerWaalsContact OE2-CZ 3.29Å; E85-R155 IonicContact OE2-NH1 3.91Å; E85-R155 PolarHBondContact OE2-NH1 3.09Å; E85-R155 IonicContact OE2-NH2 3.58Å; E85-R155 PolarHBondContact OE2-NH2 3.26Å
86	A	98.4	Very high	98.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-34.2	177.4	0	0	0	0	0	113.2	W82 F83 D84 K88 C89 P95 W150 L153	W82-A86 WeakPolarHBondContact O-CB 3.5Å; W82-A86 PolarHBondContact O-N 3.13Å; F83-A86 WeakPolarHBondContact O-CB 3.3Å; F83-A86 PolarHBondContact O-N 3.44Å; D84-A86 VanDerWaalsContact C-N 3.31Å; D84-A86 PolarHBondContact O-N 3.46Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 2.62Å; A86-C89 PolarHBondContact O-N 2.99Å; A86-P95 HydrophobicContact CB-CB 4.1Å; A86-W150 HydrophobicContact CB-CD2 3.58Å; A86-W150 HydrophobicContact CB-CE3 4.07Å; A86-W150 HydrophobicContact CB-CG 3.88Å; A86-W150 HydrophobicContact CB-CH2 4.38Å; A86-W150 HydrophobicContact CB-CZ2 3.96Å; A86-W150 HydrophobicContact CB-CZ3 4.44Å; A86-L153 HydrophobicContact CB-CD1 4.07Å
87	T	98.3	Very high	98.3	Very high	73 Å²	73	53.9 Å²	53.9	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-72.3	-20.7	174.1	61.6	0	0	0	0	114	F83 D84 E85 P95	F83-T87 HydrophobicContact CD1-CG2 4.1Å; F83-T87 HydrophobicContact CE1-CG2 3.67Å; F83-T87 HydrophobicContact CZ-CG2 4.01Å; F83-T87 WeakPolarHBondContact O-CG2 3.36Å; F83-T87 PolarHBondContact O-N 2.82Å; D84-T87 PolarHBondContact O-N 2.8Å; D84-T87 VanDerWaalsContact O-N 3.14Å; D84-T87 PolarHBondContact O-OG1 3.11Å; E85-T87 PolarHBondContact O-N 3.01Å; T87-P95 HydrophobicContact CG2-CB 3.88Å; T87-P95 HydrophobicContact CG2-CG 3.94Å
88	K	98.4	Very high	98.4	Very high	142 Å²	142	49.1 Å²	49.1	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-90.9	-12.4	177	-69.6	166.8	-178.3	168.8	0	113.5	D84 E85 A86 P90	D84-K88 WeakPolarHBondContact O-CG 3.42Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact O-N 3.13Å; D84-K88 WeakPolarHBondContact OD1-CE 3.29Å; D84-K88 IonicContact OD1-NZ 2.67Å; D84-K88 PolarHBondContact OD1-NZ 2.89Å; D84-K88 WeakPolarHBondContact OD2-CE 2.76Å; D84-K88 IonicContact OD2-NZ 3.38Å; D84-K88 PolarHBondContact OD2-NZ 2.9Å; E85-K88 PolarHBondContact O-N 3.23Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 2.62Å; K88-P90 WeakPolarHBondContact O-CD 3.4Å
89	C	97.8	Very high	98.4	Very high	19 Å²	19	50.7 Å²	50.7	13%	0.128	29%	0.29	C	S	.	.			trans	-82.7	111.6	178.6	-167.9	0	0	0	0	110.4	E85 A86 E91 V92 L153	E85-C89 PolarHBondContact O-N 3.26Å; A86-C89 PolarHBondContact O-N 2.99Å; C89-E91 PolarHBondContact O-N 3.46Å; C89-E91 VanDerWaalsContact O-N 3.17Å; C89-E91 PolarHBondContact SG-OE2 2.78Å; C89-V92 HydrophobicContact CB-CB 4.26Å; C89-V92 HydrophobicContact CB-CG2 3.75Å; C89-V92 PolarHBondContact O-N 2.83Å; C89-L153 HydrophobicContact CB-CD2 4.2Å; C89-L153 HydrophobicContact CB-CG 4.47Å
90	P	97.2	Very high	98.4	Very high	117 Å²	117	50.7 Å²	50.7	76%	0.76	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.6	-173.7	26	-33.5	0	0	0	114.1	K88 V92	K88-P90 WeakPolarHBondContact O-CD 3.4Å; P90-V92 VanDerWaalsContact C-N 3.34Å
91	E	97.9	Very high	98.4	Very high	129 Å²	129	51.7 Å²	51.7	60%	0.603	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.6	175.2	-57.5	82.6	178	0	0	113.4	C89 G93 P152	C89-E91 PolarHBondContact O-N 3.46Å; C89-E91 VanDerWaalsContact O-N 3.17Å; C89-E91 PolarHBondContact SG-OE2 2.78Å; E91-G93 PolarHBondContact O-N 3.27Å; E91-P152 HydrophobicContact CB-CB 3.74Å; E91-P152 HydrophobicContact CB-CG 3.49Å; E91-P152 VanDerWaalsContact CB-CG 3.49Å
92	V	98	Very high	98.4	Very high	18 Å²	18	49.1 Å²	49.1	11%	0.109	28%	0.284	C	S	.	.			trans	-92.7	95.6	178.6	-178	0	0	0	0	109.8	C89 P90 P95 W150 P152	C89-V92 HydrophobicContact CB-CB 4.26Å; C89-V92 HydrophobicContact CB-CG2 3.75Å; C89-V92 PolarHBondContact O-N 2.83Å; P90-V92 VanDerWaalsContact C-N 3.34Å; V92-P95 HydrophobicContact CB-CG 4.49Å; V92-P95 HydrophobicContact CG1-CB 4.03Å; V92-P95 HydrophobicContact CG1-CG 3.78Å; V92-W150 HydrophobicContact CG1-CG 4.39Å; V92-W150 HydrophobicContact CG2-CB 4.25Å; V92-P152 HydrophobicContact CG2-CB 4.37Å; V92-P152 HydrophobicContact CG2-CG 3.96Å
93	G	97.9	Very high	98.4	Very high	75 Å²	75	49.9 Å²	49.9	77%	0.773	29%	0.291	S	S	*	.	S	Bend	trans	-63.5	-46.6	-174.2	0	0	0	0	0	115.7	E91	E91-G93 PolarHBondContact O-N 3.27Å
94	E	98.1	Very high	98.4	Very high	117 Å²	117	49.4 Å²	49.4	55%	0.547	29%	0.292	S	S	.	.			trans	-129.5	87.2	175.4	-71.5	-170.1	112.4	0	0	109.9	N96 A97 L115	E94-N96 PolarHBondContact O-N 3.17Å; E94-N96 VanDerWaalsContact O-N 3.11Å; E94-A97 HydrophobicContact CB-CB 3.84Å; E94-A97 VanDerWaalsContact O-CB 3.28Å; E94-A97 WeakPolarHBondContact O-CB 3.36Å; E94-A97 PolarHBondContact O-N 3.21Å; E94-L115 HydrophobicContact CB-CD2 4.44Å; E94-L115 WeakPolarHBondContact OE1-CD2 3.2Å
95	P	98.3	Very high	98.3	Very high	18 Å²	18	54.1 Å²	54.1	12%	0.117	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.6	-178.2	-23.6	31.3	0	0	0	113.8	F83 A86 T87 V92 W150	F83-P95 HydrophobicContact CE2-CB 4.22Å; A86-P95 HydrophobicContact CB-CB 4.1Å; T87-P95 HydrophobicContact CG2-CB 3.88Å; T87-P95 HydrophobicContact CG2-CG 3.94Å; V92-P95 HydrophobicContact CB-CG 4.49Å; V92-P95 HydrophobicContact CG1-CB 4.03Å; V92-P95 HydrophobicContact CG1-CG 3.78Å; P95-W150 PolarHBondContact O-NE1 3.2Å
96	N	98.7	Very high	98.2	Very high	39 Å²	39	55.2 Å²	55.2	21%	0.209	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.7	177.1	68.2	-33	0	0	0	114.6	F83 E94 M98 L115 L116	F83-N96 HydrophobicContact CE2-CB 3.93Å; F83-N96 HydrophobicContact CZ-CB 4.02Å; E94-N96 PolarHBondContact O-N 3.17Å; E94-N96 VanDerWaalsContact O-N 3.11Å; N96-M98 PolarHBondContact O-N 3.4Å; N96-L115 CarbonylContact O-C 3.58Å; N96-L115 WeakPolarHBondContact O-CA 3.18Å; N96-L116 HydrophobicContact CB-CB 4.15Å; N96-L116 PolarHBondContact ND2-O 3.06Å; N96-L116 PolarHBondContact O-N 3.25Å
97	A	98.8	Very high	98.1	Very high	24 Å²	24	57.9 Å²	57.9	20%	0.198	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.7	168.6	0	0	0	0	0	110.2	E94 M113 L115	E94-A97 HydrophobicContact CB-CB 3.84Å; E94-A97 VanDerWaalsContact O-CB 3.28Å; E94-A97 WeakPolarHBondContact O-CB 3.36Å; E94-A97 PolarHBondContact O-N 3.21Å; A97-M113 HydrophobicContact CB-CE 4.15Å; A97-L115 HydrophobicContact CB-CD2 4.06Å
98	M	98.8	Very high	98.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.2	178.5	63.9	-175.6	-174.3	0	0	110.5	N96 M113 V114 L116 F126 L146 V147 F148	N96-M98 PolarHBondContact O-N 3.4Å; M98-M113 VanDerWaalsContact C-CE 3.49Å; M98-M113 CarbonylContact O-C 3.38Å; M98-M113 WeakPolarHBondContact O-CA 3.41Å; M98-V114 HydrophobicContact CE-CG2 3.54Å; M98-V114 HydrophobicContact CG-CG2 3.72Å; M98-V114 PolarHBondContact N-O 2.85Å; M98-V114 PolarHBondContact O-N 2.84Å; M98-V114 VanDerWaalsContact O-O 3.06Å; M98-V114 HydrophobicContact SD-CG2 4.48Å; M98-L116 HydrophobicContact CE-CB 4.3Å; M98-L116 HydrophobicContact CE-CD1 4.16Å; M98-L116 HydrophobicContact SD-CB 4.01Å; M98-L116 HydrophobicContact SD-CD1 4.14Å; M98-F126 HydrophobicContact CE-CB 3.71Å; M98-F126 HydrophobicContact CE-CD1 4.03Å; M98-F126 HydrophobicContact CE-CG 4.06Å; M98-L146 HydrophobicContact CE-CD1 4.21Å; M98-L146 HydrophobicContact CE-CD2 3.89Å; M98-L146 HydrophobicContact SD-CB 4.23Å; M98-L146 HydrophobicContact SD-CD1 3.85Å; M98-L146 HydrophobicContact SD-CD2 3.93Å; M98-L146 HydrophobicContact SD-CG 4.22Å; M98-V147 CarbonylContact C-O 3.57Å; M98-V147 WeakPolarHBondContact CA-O 3.46Å; M98-F148 HydrophobicContact CB-CD1 4Å; M98-F148 HydrophobicContact CB-CD2 4.21Å; M98-F148 HydrophobicContact CB-CE1 3.73Å; M98-F148 HydrophobicContact CB-CE2 3.93Å; M98-F148 HydrophobicContact CB-CG 4.24Å; M98-F148 HydrophobicContact CB-CZ 3.68Å; M98-F148 HydrophobicContact CG-CE1 4.42Å; M98-F148 HydrophobicContact CG-CZ 4.11Å; M98-F148 HydrophobicContact SD-CE1 4.26Å; M98-F148 HydrophobicContact SD-CE2 3.87Å; M98-F148 HydrophobicContact SD-CZ 3.46Å; M98-F148 WeakPolarHBondContact SD-CZ 3.36Å
99	C	98.9	Very high	98.1	Very high	36 Å²	36	60.4 Å²	60.4	24%	0.243	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.4	163.5	-170.1	0	0	0	0	108	R112 M113 L146 V147	C99-R112 WeakPolarHBondContact CA-O 3.42Å; C99-M113 HydrophobicContact CB-SD 3.81Å; C99-L146 CarbonylContact O-C 3.53Å; C99-L146 WeakPolarHBondContact O-CA 2.92Å; C99-V147 HydrophobicContact CB-CB 4.3Å; C99-V147 PolarHBondContact N-O 2.74Å; C99-V147 PolarHBondContact O-N 3.28Å
100	I	98.9	Very high	98.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.8	167.6	179.2	172.2	0	0	0	109.2	T102 A111 R112 V114 F126 A144 C145 L146	I100-T102 HydrophobicContact CD1-CG2 4.29Å; I100-T102 HydrophobicContact CG1-CG2 4.16Å; I100-A111 WeakPolarHBondContact O-CA 3.24Å; I100-R112 VanDerWaalsContact CG2-CD 3.43Å; I100-R112 HydrophobicContact CG2-CG 4.45Å; I100-R112 PolarHBondContact N-O 2.86Å; I100-R112 WeakPolarHBondContact O-CD 3.5Å; I100-R112 PolarHBondContact O-N 3.23Å; I100-R112 PolarHBondContact O-NH1 3.46Å; I100-V114 HydrophobicContact CB-CG2 4.07Å; I100-V114 HydrophobicContact CG2-CB 4.22Å; I100-V114 HydrophobicContact CG2-CG1 3.65Å; I100-V114 HydrophobicContact CG2-CG2 3.51Å; I100-F126 HydrophobicContact CD1-CD1 4.32Å; I100-F126 HydrophobicContact CD1-CE1 3.55Å; I100-F126 HydrophobicContact CD1-CE2 3.94Å; I100-F126 HydrophobicContact CD1-CZ 3.33Å; I100-A144 HydrophobicContact CD1-CB 4.08Å; I100-A144 HydrophobicContact CG1-CB 4.15Å; I100-C145 WeakPolarHBondContact CA-O 3.28Å; I100-L146 HydrophobicContact CB-CD2 3.77Å; I100-L146 HydrophobicContact CD1-CD2 3.85Å; I100-L146 HydrophobicContact CG1-CD2 3.69Å
101	A	98.9	Very high	98.2	Very high	32 Å²	32	57.7 Å²	57.7	26%	0.264	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.8	169.5	0	0	0	0	0	110.3	S110 A111 A144 C145	A101-S110 WeakPolarHBondContact CA-O 3.36Å; A101-A111 HydrophobicContact CB-CB 4.31Å; A101-A144 WeakPolarHBondContact O-CA 3.31Å; A101-C145 HydrophobicContact CB-CB 4.36Å; A101-C145 PolarHBondContact N-O 3.4Å; A101-C145 PolarHBondContact O-N 3.37Å
102	T	98.8	Very high	98.2	Very high	6 Å²	6	54 Å²	54	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	169.3	175.2	50.7	0	0	0	0	108.3	I100 P109 S110 R112 E137 L138 A144	I100-T102 HydrophobicContact CD1-CG2 4.29Å; I100-T102 HydrophobicContact CG1-CG2 4.16Å; T102-P109 CarbonylContact O-C 3.59Å; T102-P109 WeakPolarHBondContact O-CA 3.16Å; T102-S110 PolarHBondContact N-O 3.43Å; T102-S110 PolarHBondContact O-N 2.78Å; T102-R112 PolarHBondContact OG1-NH1 2.56Å; T102-R112 PolarHBondContact OG1-NH2 3.45Å; T102-E137 WeakPolarHBondContact CB-OE2 3.46Å; T102-E137 PolarHBondContact OG1-OE2 3.04Å; T102-L138 HydrophobicContact CG2-CD1 4.24Å; T102-L138 HydrophobicContact CG2-CD2 3.57Å; T102-L138 HydrophobicContact CG2-CG 3.75Å; T102-A144 HydrophobicContact CG2-CB 4.25Å
103	A	98.6	Very high	98.3	Very high	20 Å²	20	58.9 Å²	58.9	17%	0.165	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.7	175.3	0	0	0	0	0	111.3	R108 N141	A103-R108 VanDerWaalsContact CA-O 3.29Å; A103-R108 WeakPolarHBondContact CA-O 3.45Å; A103-N141 WeakPolarHBondContact O-CB 3.35Å; A103-N141 PolarHBondContact O-ND2 2.81Å
104	S	98.1	Very high	98.3	Very high	26 Å²	26	56.3 Å²	56.3	18%	0.182	32%	0.317	C	S	.	.			trans	-68	164.3	167.3	50.5	0	0	0	0	111.6	D106 G107 R108	S104-D106 VanDerWaalsContact CB-OD1 3.27Å; S104-D106 WeakPolarHBondContact CB-OD1 3.35Å; S104-D106 PolarHBondContact O-N 2.9Å; S104-D106 VanDerWaalsContact O-N 3.11Å; S104-D106 PolarHBondContact OG-OD1 2.99Å; S104-G107 PolarHBondContact O-N 2.96Å; S104-R108 PolarHBondContact N-O 3.23Å; S104-R108 WeakPolarHBondContact OG-CB 3.34Å; S104-R108 PolarHBondContact OG-N 2.7Å; S104-R108 PolarHBondContact OG-O 2.82Å
105	K	96.4	Very high	98.3	Very high	169 Å²	169	53.2 Å²	53.2	74%	0.735	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25	177.7	-75.1	-174.7	173.8	-177.6	0	114.9	G107 S140	K105-G107 VanDerWaalsContact C-N 3.28Å; K105-S140 WeakPolarHBondContact CE-O 3.39Å; K105-S140 WeakPolarHBondContact CG-O 3.48Å
106	D	96.9	Very high	98.4	Very high	100 Å²	100	52.6 Å²	52.6	54%	0.535	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	12.5	174.9	71.4	-35.9	0	0	0	113.5	S104 R108	S104-D106 VanDerWaalsContact CB-OD1 3.27Å; S104-D106 WeakPolarHBondContact CB-OD1 3.35Å; S104-D106 PolarHBondContact O-N 2.9Å; S104-D106 VanDerWaalsContact O-N 3.11Å; S104-D106 PolarHBondContact OG-OD1 2.99Å; D106-R108 WeakPolarHBondContact OD2-CD 3.45Å; D106-R108 IonicContact OD2-CZ 3.28Å; D106-R108 IonicContact OD2-NE 2.72Å; D106-R108 PolarHBondContact OD2-NE 3.37Å; D106-R108 IonicContact OD2-NH2 3.73Å
107	G	95.9	Very high	98.3	Very high	55 Å²	55	54.4 Å²	54.4	57%	0.567	31%	0.305	S	S	*	.			trans	79.3	17	172.1	0	0	0	0	0	115.2	S104 K105 P109	S104-G107 PolarHBondContact O-N 2.96Å; K105-G107 VanDerWaalsContact C-N 3.28Å; G107-P109 VanDerWaalsContact O-CD 3.28Å; G107-P109 WeakPolarHBondContact O-CD 3.29Å
108	R	98.2	Very high	98.3	Very high	163 Å²	163	54.2 Å²	54.2	62%	0.615	31%	0.306	S	S	*	.			trans	-84.6	112.4	176.6	-57.4	179.9	-174.1	-94.6	-7.3	110.3	A103 S104 D106	A103-R108 VanDerWaalsContact CA-O 3.29Å; A103-R108 WeakPolarHBondContact CA-O 3.45Å; S104-R108 PolarHBondContact N-O 3.23Å; S104-R108 WeakPolarHBondContact OG-CB 3.34Å; S104-R108 PolarHBondContact OG-N 2.7Å; S104-R108 PolarHBondContact OG-O 2.82Å; D106-R108 WeakPolarHBondContact OD2-CD 3.45Å; D106-R108 IonicContact OD2-CZ 3.28Å; D106-R108 IonicContact OD2-NE 2.72Å; D106-R108 PolarHBondContact OD2-NE 3.37Å; D106-R108 IonicContact OD2-NH2 3.73Å
109	P	98.3	Very high	98.3	Very high	105 Å²	105	58.2 Å²	58.2	68%	0.682	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	155.4	-177.1	31.6	-35.9	0	0	0	112.2	T102 G107	T102-P109 CarbonylContact O-C 3.59Å; T102-P109 WeakPolarHBondContact O-CA 3.16Å; G107-P109 VanDerWaalsContact O-CD 3.28Å; G107-P109 WeakPolarHBondContact O-CD 3.29Å
110	S	98.6	Very high	98.2	Very high	13 Å²	13	57.9 Å²	57.9	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.7	166.8	95	0	0	0	0	111.1	A101 T102 R112 R133 E137	A101-S110 WeakPolarHBondContact CA-O 3.36Å; T102-S110 PolarHBondContact N-O 3.43Å; T102-S110 PolarHBondContact O-N 2.78Å; S110-R112 PolarHBondContact O-NH2 2.75Å; S110-R112 PolarHBondContact OG-NH2 3.42Å; S110-R133 PolarHBondContact OG-NE 2.8Å; S110-E137 VanDerWaalsContact OG-CD 3.28Å; S110-E137 PolarHBondContact OG-OE1 3.29Å; S110-E137 VanDerWaalsContact OG-OE1 3.04Å; S110-E137 PolarHBondContact OG-OE2 2.91Å
111	A	98.8	Very high	98	Very high	66 Å²	66	65.3 Å²	65.3	55%	0.545	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.5	-172.3	0	0	0	0	0	111.2	I100 A101	I100-A111 WeakPolarHBondContact O-CA 3.24Å; A101-A111 HydrophobicContact CB-CB 4.31Å
112	R	98.8	Very high	97.8	Very high	51 Å²	51	68.4 Å²	68.4	19%	0.192	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	159.9	176.4	75.3	-55.3	-64.1	-172	-14.5	110.6	C99 I100 T102 S110 V114 K134 E137	C99-R112 WeakPolarHBondContact CA-O 3.42Å; I100-R112 VanDerWaalsContact CG2-CD 3.43Å; I100-R112 HydrophobicContact CG2-CG 4.45Å; I100-R112 PolarHBondContact N-O 2.86Å; I100-R112 WeakPolarHBondContact O-CD 3.5Å; I100-R112 PolarHBondContact O-N 3.23Å; I100-R112 PolarHBondContact O-NH1 3.46Å; T102-R112 PolarHBondContact OG1-NH1 2.56Å; T102-R112 PolarHBondContact OG1-NH2 3.45Å; S110-R112 PolarHBondContact O-NH2 2.75Å; S110-R112 PolarHBondContact OG-NH2 3.42Å; R112-V114 HydrophobicContact CG-CG1 4.34Å; R112-K134 VanDerWaalsContact NH2-CB 3.28Å; R112-E137 IonicContact NH2-OE2 3.76Å; R112-E137 PolarHBondContact NH2-OE2 2.82Å
113	M	98.9	Very high	97.7	Very high	122 Å²	122	68.1 Å²	68.1	60%	0.601	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.4	170.7	-57.8	-52	-68.1	0	0	111.4	A97 M98 C99	A97-M113 HydrophobicContact CB-CE 4.15Å; M98-M113 VanDerWaalsContact C-CE 3.49Å; M98-M113 CarbonylContact O-C 3.38Å; M98-M113 WeakPolarHBondContact O-CA 3.41Å; C99-M113 HydrophobicContact CB-SD 3.81Å
114	V	98.8	Very high	97.7	Very high	21 Å²	21	67.1 Å²	67.1	13%	0.127	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	169.7	166.8	-62.8	0	0	0	0	108.8	M98 I100 R112 F126 K134	M98-V114 HydrophobicContact CE-CG2 3.54Å; M98-V114 HydrophobicContact CG-CG2 3.72Å; M98-V114 PolarHBondContact N-O 2.85Å; M98-V114 PolarHBondContact O-N 2.84Å; M98-V114 VanDerWaalsContact O-O 3.06Å; M98-V114 HydrophobicContact SD-CG2 4.48Å; I100-V114 HydrophobicContact CB-CG2 4.07Å; I100-V114 HydrophobicContact CG2-CB 4.22Å; I100-V114 HydrophobicContact CG2-CG1 3.65Å; I100-V114 HydrophobicContact CG2-CG2 3.51Å; R112-V114 HydrophobicContact CG-CG1 4.34Å; V114-F126 HydrophobicContact CG2-CB 4.47Å; V114-K134 HydrophobicContact CG1-CD 4.48Å
115	L	98.7	Very high	97.8	Very high	51 Å²	51	69.1 Å²	69.1	27%	0.267	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.8	174.6	-64.8	171	0	0	0	109.8	E94 N96 A97 K117	E94-L115 HydrophobicContact CB-CD2 4.44Å; E94-L115 WeakPolarHBondContact OE1-CD2 3.2Å; N96-L115 CarbonylContact O-C 3.58Å; N96-L115 WeakPolarHBondContact O-CA 3.18Å; A97-L115 HydrophobicContact CB-CD2 4.06Å; L115-K117 HydrophobicContact CB-CD 4.33Å; L115-K117 VanDerWaalsContact CD1-NZ 3.29Å; L115-K117 PolarHBondContact O-N 3.44Å
116	L	98.8	Very high	97.9	Very high	6 Å²	6	61 Å²	61	3%	0.031	32%	0.321	C	S	.	.			trans	-62.9	130.8	165.1	-175.2	76	0	0	0	108.8	F79 N96 M98 G118 Y119 F124 R125 F148	F79-L116 HydrophobicContact CE1-CD2 4.09Å; F79-L116 HydrophobicContact CZ-CD2 3.81Å; N96-L116 HydrophobicContact CB-CB 4.15Å; N96-L116 PolarHBondContact ND2-O 3.06Å; N96-L116 PolarHBondContact O-N 3.25Å; M98-L116 HydrophobicContact CE-CB 4.3Å; M98-L116 HydrophobicContact CE-CD1 4.16Å; M98-L116 HydrophobicContact SD-CB 4.01Å; M98-L116 HydrophobicContact SD-CD1 4.14Å; L116-G118 WeakPolarHBondContact CD1-O 3.44Å; L116-Y119 HydrophobicContact CD2-CD1 3.9Å; L116-F124 HydrophobicContact CD1-CB 3.75Å; L116-F124 HydrophobicContact CD1-CD1 3.92Å; L116-F124 HydrophobicContact CD1-CG 4.35Å; L116-F124 HydrophobicContact CD2-CD1 4.25Å; L116-R125 WeakPolarHBondContact CD1-O 3.39Å; L116-F148 HydrophobicContact CB-CE1 4.25Å; L116-F148 HydrophobicContact CB-CZ 4.09Å; L116-F148 HydrophobicContact CD1-CZ 4.5Å; L116-F148 HydrophobicContact CD2-CE1 4.28Å; L116-F148 HydrophobicContact CD2-CZ 3.92Å; L116-F148 HydrophobicContact CG-CZ 4.39Å
117	K	98.3	Very high	98	Very high	77 Å²	77	57.8 Å²	57.8	34%	0.335	30%	0.302	S	S	.	.			trans	-116.4	9.3	-178	-61.4	-53.2	-175	-169.4	0	113.7	L115 R125 F127 Y174	L115-K117 HydrophobicContact CB-CD 4.33Å; L115-K117 VanDerWaalsContact CD1-NZ 3.29Å; L115-K117 PolarHBondContact O-N 3.44Å; K117-R125 PolarHBondContact N-O 3.4Å; K117-F127 HydrophobicContact CB-CD2 3.7Å; K117-F127 HydrophobicContact CB-CE2 3.75Å; K117-F127 HydrophobicContact CG-CD2 3.8Å; K117-F127 HydrophobicContact CG-CE2 4.35Å; K117-Y174 HydrophobicContact CB-CE2 4.38Å; K117-Y174 VanDerWaalsContact CD-OH 3.28Å; K117-Y174 WeakPolarHBondContact CD-OH 3.39Å; K117-Y174 VanDerWaalsContact CE-OH 3.24Å; K117-Y174 WeakPolarHBondContact CE-OH 3.39Å; K117-Y174 HydrophobicContact CG-CE1 4.31Å; K117-Y174 HydrophobicContact CG-CE2 4.45Å
118	G	97.8	Very high	98.1	Very high	20 Å²	20	55.5 Å²	55.5	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.6	157.5	172.1	0	0	0	0	0	110.7	L116 R125	L116-G118 WeakPolarHBondContact CD1-O 3.44Å; G118-R125 PolarHBondContact O-N 2.68Å
119	Y	98.3	Very high	98.1	Very high	84 Å²	84	47.9 Å²	47.9	33%	0.329	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.6	171.2	61.5	-81	0	0	0	109.3	I76 F79 G80 F83 L116 G123 F124	I76-Y119 HydrophobicContact CG2-CD2 4.1Å; F79-Y119 HydrophobicContact CD1-CD1 4.33Å; F79-Y119 AromaticContact CD1-CD2 3.96Å; F79-Y119 HydrophobicContact CD1-CD2 3.96Å; F79-Y119 HydrophobicContact CD1-CE1 4.21Å; F79-Y119 AromaticContact CD1-CE2 3.83Å; F79-Y119 HydrophobicContact CD1-CE2 3.83Å; F79-Y119 HydrophobicContact CD1-CG 4.22Å; F79-Y119 AromaticContact CD1-CZ 3.96Å; F79-Y119 AromaticContact CE1-CD1 3.74Å; F79-Y119 HydrophobicContact CE1-CD1 3.74Å; F79-Y119 HydrophobicContact CE1-CD2 4.21Å; F79-Y119 AromaticContact CE1-CE1 3.69Å; F79-Y119 HydrophobicContact CE1-CE1 3.69Å; F79-Y119 HydrophobicContact CE1-CE2 4.16Å; F79-Y119 HydrophobicContact CE1-CG 4.02Å; F79-Y119 AromaticContact CE1-CZ 3.91Å; G80-Y119 WeakPolarHBondContact CA-OH 3.42Å; F83-Y119 HydrophobicContact CD1-CE1 4.35Å; L116-Y119 HydrophobicContact CD2-CD1 3.9Å; Y119-G123 CarbonylContact C-O 3.51Å; Y119-G123 VanDerWaalsContact CA-O 3.22Å; Y119-G123 WeakPolarHBondContact CA-O 3.41Å; Y119-F124 HydrophobicContact CG-CD1 4.49Å; Y119-F124 HydrophobicContact CG-CE1 4.32Å
120	S	96.9	Very high	98.1	Very high	29 Å²	29	43.9 Å²	43.9	20%	0.203	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-179.3	176.2	65.1	0	0	0	0	108.6	E122 G123	S120-E122 PolarHBondContact O-N 2.79Å; S120-E122 WeakPolarHBondContact OG-CB 3.31Å; S120-E122 PolarHBondContact OG-N 2.9Å; S120-E122 PolarHBondContact OG-OE2 3.41Å; S120-G123 PolarHBondContact N-O 2.85Å; S120-G123 PolarHBondContact O-N 2.8Å
121	H	94.9	Very high	98.1	Very high	155 Å²	155	47 Å²	47	72%	0.718	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.5	170.3	68.3	-92.3	0	0	0	113.5
122	E	94.7	Very high	98.1	Very high	97 Å²	97	43.8 Å²	43.8	45%	0.453	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-28.6	176.4	-53.1	170.7	134.8	0	0	112.4	S120 M227 K229	S120-E122 PolarHBondContact O-N 2.79Å; S120-E122 WeakPolarHBondContact OG-CB 3.31Å; S120-E122 PolarHBondContact OG-N 2.9Å; S120-E122 PolarHBondContact OG-OE2 3.41Å; E122-M227 HydrophobicContact CB-CE 3.81Å; E122-M227 HydrophobicContact CB-SD 4.34Å; E122-M227 WeakPolarHBondContact OE2-CE 3.46Å; E122-K229 WeakPolarHBondContact O-CG 3.43Å
123	G	97.8	Very high	98	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-158.2	-177	0	0	0	0	0	115.2	Y119 S120 V228	Y119-G123 CarbonylContact C-O 3.51Å; Y119-G123 VanDerWaalsContact CA-O 3.22Å; Y119-G123 WeakPolarHBondContact CA-O 3.41Å; S120-G123 PolarHBondContact N-O 2.85Å; S120-G123 PolarHBondContact O-N 2.8Å; G123-V228 CarbonylContact C-O 3.59Å; G123-V228 WeakPolarHBondContact CA-O 3.48Å
124	F	98.8	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.3	-168.1	-65.1	-93.9	0	0	0	111.4	F79 L116 Y119 L146 I159 V228 P230 I233	F79-F124 HydrophobicContact CB-CZ 4.38Å; F79-F124 AromaticContact CD1-CE1 3.69Å; F79-F124 HydrophobicContact CD1-CE1 3.69Å; F79-F124 HydrophobicContact CD1-CZ 4.3Å; F79-F124 AromaticContact CD2-CE1 3.84Å; F79-F124 HydrophobicContact CD2-CE1 3.84Å; F79-F124 HydrophobicContact CD2-CZ 4.26Å; F79-F124 AromaticContact CE1-CE1 3.8Å; F79-F124 HydrophobicContact CE1-CE1 3.8Å; F79-F124 AromaticContact CE2-CE1 3.94Å; F79-F124 HydrophobicContact CE2-CE1 3.94Å; F79-F124 AromaticContact CG-CE1 3.74Å; F79-F124 HydrophobicContact CG-CE1 3.74Å; F79-F124 HydrophobicContact CG-CZ 4.04Å; F79-F124 HydrophobicContact CZ-CD1 4.47Å; F79-F124 AromaticContact CZ-CE1 3.93Å; F79-F124 HydrophobicContact CZ-CE1 3.93Å; L116-F124 HydrophobicContact CD1-CB 3.75Å; L116-F124 HydrophobicContact CD1-CD1 3.92Å; L116-F124 HydrophobicContact CD1-CG 4.35Å; L116-F124 HydrophobicContact CD2-CD1 4.25Å; Y119-F124 HydrophobicContact CG-CD1 4.49Å; Y119-F124 HydrophobicContact CG-CE1 4.32Å; F124-L146 HydrophobicContact CB-CD1 3.78Å; F124-L146 HydrophobicContact CG-CD1 4.25Å; F124-I159 HydrophobicContact CD1-CD1 3.85Å; F124-I159 HydrophobicContact CD2-CD1 4Å; F124-I159 HydrophobicContact CD2-CG2 4.01Å; F124-I159 HydrophobicContact CE1-CD1 3.58Å; F124-I159 HydrophobicContact CE2-CD1 3.74Å; F124-I159 HydrophobicContact CE2-CG1 4.33Å; F124-I159 HydrophobicContact CE2-CG2 4.02Å; F124-I159 HydrophobicContact CG-CD1 4.06Å; F124-I159 HydrophobicContact CZ-CD1 3.53Å; F124-I159 HydrophobicContact CZ-CG1 4.37Å; F124-V228 HydrophobicContact CB-CB 4.45Å; F124-V228 PolarHBondContact N-O 2.9Å; F124-V228 PolarHBondContact O-N 2.8Å; F124-P230 HydrophobicContact CD2-CG 4.46Å; F124-P230 HydrophobicContact CE2-CB 4.34Å; F124-P230 HydrophobicContact CE2-CG 4.1Å; F124-I233 HydrophobicContact CE2-CD1 4.09Å; F124-I233 HydrophobicContact CZ-CD1 4.29Å
125	R	98.6	Very high	98	Very high	67 Å²	67	41.5 Å²	41.5	25%	0.253	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.4	-174.6	-65.6	-168.8	-66.2	-93.9	1.5	113.6	L116 K117 G118 I166 Y226 M227	L116-R125 WeakPolarHBondContact CD1-O 3.39Å; K117-R125 PolarHBondContact N-O 3.4Å; G118-R125 PolarHBondContact O-N 2.68Å; R125-I166 HydrophobicContact CG-CG2 4.35Å; R125-Y226 WeakPolarHBondContact CA-O 3.44Å; R125-M227 HydrophobicContact CG-CB 4.48Å; R125-M227 HydrophobicContact CG-CE 3.84Å; R125-M227 HydrophobicContact CG-SD 3.38Å; R125-M227 WeakPolarHBondContact CG-SD 3.28Å
126	F	98.8	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.5	168.3	69.6	-82.7	0	0	0	110.4	M98 I100 V114 T128 K134 L138 G225 Y226 V228	M98-F126 HydrophobicContact CE-CB 3.71Å; M98-F126 HydrophobicContact CE-CD1 4.03Å; M98-F126 HydrophobicContact CE-CG 4.06Å; I100-F126 HydrophobicContact CD1-CD1 4.32Å; I100-F126 HydrophobicContact CD1-CE1 3.55Å; I100-F126 HydrophobicContact CD1-CE2 3.94Å; I100-F126 HydrophobicContact CD1-CZ 3.33Å; V114-F126 HydrophobicContact CG2-CB 4.47Å; F126-T128 HydrophobicContact CE2-CG2 4.31Å; F126-K134 HydrophobicContact CE2-CD 4.41Å; F126-L138 HydrophobicContact CZ-CD1 3.88Å; F126-G225 CarbonylContact O-C 3.5Å; F126-G225 WeakPolarHBondContact O-CA 3.39Å; F126-Y226 AromaticContact CE2-CD2 3.88Å; F126-Y226 HydrophobicContact CE2-CD2 3.88Å; F126-Y226 HydrophobicContact CE2-CG 4.49Å; F126-Y226 AromaticContact CZ-CD2 3.82Å; F126-Y226 HydrophobicContact CZ-CD2 3.82Å; F126-Y226 HydrophobicContact CZ-CG 4.04Å; F126-Y226 PolarHBondContact N-O 2.89Å; F126-Y226 VanDerWaalsContact N-O 3.09Å; F126-Y226 PolarHBondContact O-N 2.78Å; F126-V228 HydrophobicContact CD1-CG2 4.34Å; F126-V228 HydrophobicContact CE1-CG2 3.83Å
127	F	98.7	Very high	98	Very high	31 Å²	31	43.8 Å²	43.8	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143	-175.1	-67.6	-96.9	0	0	0	111.6	K117 I166 Y174 W223 G224	K117-F127 HydrophobicContact CB-CD2 3.7Å; K117-F127 HydrophobicContact CB-CE2 3.75Å; K117-F127 HydrophobicContact CG-CD2 3.8Å; K117-F127 HydrophobicContact CG-CE2 4.35Å; F127-I166 HydrophobicContact CE1-CD1 3.52Å; F127-I166 HydrophobicContact CZ-CD1 3.58Å; F127-Y174 HydrophobicContact CB-CD1 4.17Å; F127-Y174 HydrophobicContact CB-CE1 3.89Å; F127-Y174 AromaticContact CD1-CD1 3.34Å; F127-Y174 HydrophobicContact CD1-CD1 3.34Å; F127-Y174 AromaticContact CD1-CE1 3.96Å; F127-Y174 HydrophobicContact CD1-CE1 3.96Å; F127-Y174 HydrophobicContact CD1-CG 4.23Å; F127-Y174 AromaticContact CD2-CD1 3.32Å; F127-Y174 HydrophobicContact CD2-CD1 3.32Å; F127-Y174 AromaticContact CD2-CE1 3.3Å; F127-Y174 HydrophobicContact CD2-CE1 3.3Å; F127-Y174 HydrophobicContact CD2-CG 4.07Å; F127-Y174 AromaticContact CE1-CD1 3.36Å; F127-Y174 HydrophobicContact CE1-CD1 3.36Å; F127-Y174 HydrophobicContact CE1-CE1 4.31Å; F127-Y174 AromaticContact CE1-CG 3.78Å; F127-Y174 HydrophobicContact CE1-CG 3.78Å; F127-Y174 AromaticContact CE2-CD1 3.34Å; F127-Y174 HydrophobicContact CE2-CD1 3.34Å; F127-Y174 HydrophobicContact CE2-CD2 4.15Å; F127-Y174 AromaticContact CE2-CE1 3.72Å; F127-Y174 HydrophobicContact CE2-CE1 3.72Å; F127-Y174 HydrophobicContact CE2-CE2 4.48Å; F127-Y174 AromaticContact CE2-CG 3.59Å; F127-Y174 HydrophobicContact CE2-CG 3.59Å; F127-Y174 AromaticContact CG-CD1 3.31Å; F127-Y174 HydrophobicContact CG-CD1 3.31Å; F127-Y174 AromaticContact CG-CE1 3.43Å; F127-Y174 HydrophobicContact CG-CE1 3.43Å; F127-Y174 VanDerWaalsContact CG-CE1 3.43Å; F127-Y174 HydrophobicContact CG-CG 4.35Å; F127-Y174 AromaticContact CZ-CD1 3.36Å; F127-Y174 HydrophobicContact CZ-CD1 3.36Å; F127-Y174 HydrophobicContact CZ-CD2 4.31Å; F127-Y174 HydrophobicContact CZ-CE1 4.21Å; F127-Y174 AromaticContact CZ-CG 3.43Å; F127-Y174 HydrophobicContact CZ-CG 3.43Å; F127-Y174 VanDerWaalsContact CZ-CG 3.43Å; F127-W223 HydrophobicContact CB-CH2 4.01Å; F127-W223 HydrophobicContact CB-CZ2 3.9Å; F127-W223 AromaticContact CD1-CH2 3.76Å; F127-W223 HydrophobicContact CD1-CH2 3.76Å; F127-W223 HydrophobicContact CD1-CZ2 4.47Å; F127-W223 AromaticContact CD1-CZ3 3.88Å; F127-W223 HydrophobicContact CD1-CZ3 3.88Å; F127-W223 HydrophobicContact CG-CH2 4.14Å; F127-G224 WeakPolarHBondContact CA-O 3.22Å
128	T	98.5	Very high	98	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	177.8	-174.3	-147.2	0	0	0	0	112.7	F126 K134 Q191 G224 Y226	F126-T128 HydrophobicContact CE2-CG2 4.31Å; T128-K134 HydrophobicContact CG2-CD 4.23Å; T128-K134 HydrophobicContact CG2-CG 4.23Å; T128-K134 PolarHBondContact OG1-NZ 2.82Å; T128-Q191 PolarHBondContact OG1-OE1 3.31Å; T128-G224 PolarHBondContact N-O 3.19Å; T128-G224 PolarHBondContact O-N 2.84Å; T128-G224 VanDerWaalsContact O-O 3.13Å; T128-Y226 HydrophobicContact CG2-CD2 3.87Å; T128-Y226 HydrophobicContact CG2-CE2 3.65Å
129	N	98.4	Very high	98	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.3	168.8	176.3	-37.5	0	0	0	108.6	E131 S132 S189 Q191 Y222	N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 2.87Å; N129-E131 WeakPolarHBondContact OD1-CA 3.32Å; N129-E131 WeakPolarHBondContact OD1-CB 3.11Å; N129-E131 PolarHBondContact OD1-N 2.91Å; N129-S132 WeakPolarHBondContact O-CB 3.46Å; N129-S132 PolarHBondContact O-N 2.94Å; N129-S132 VanDerWaalsContact O-N 3.09Å; N129-S132 PolarHBondContact O-OG 3.07Å; N129-S132 PolarHBondContact OD1-N 3.26Å; N129-S189 PolarHBondContact ND2-O 2.86Å; N129-Q191 HydrophobicContact CB-CB 3.74Å; N129-Q191 PolarHBondContact ND2-N 2.99Å; N129-Y222 CarbonylContact C-O 3.6Å; N129-Y222 VanDerWaalsContact CA-O 3.24Å; N129-Y222 WeakPolarHBondContact CA-O 3.47Å; N129-Y222 WeakPolarHBondContact ND2-CD2 3.34Å; N129-Y222 PolarHBondContact OD1-O 3.28Å
130	Y	98.3	Very high	98	Very high	22 Å²	22	41.5 Å²	41.5	9%	0.086	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.9	-177.5	-60.5	-45.7	0	0	0	113.1	S132 G135 N136 R165 Y222 G224 G225 Y226	Y130-S132 VanDerWaalsContact C-N 3.28Å; Y130-S132 PolarHBondContact O-N 3.41Å; Y130-G135 CarbonylContact O-C 3.6Å; Y130-G135 VanDerWaalsContact O-CA 3.29Å; Y130-G135 WeakPolarHBondContact O-CA 3.38Å; Y130-N136 PolarHBondContact O-N 3.03Å; Y130-R165 HydrophobicContact CE1-CG 4.05Å; Y130-Y222 PolarHBondContact N-O 3.04Å; Y130-G224 VanDerWaalsContact OH-CA 3.3Å; Y130-G224 WeakPolarHBondContact OH-CA 3.39Å; Y130-G225 PolarHBondContact OH-N 3.1Å; Y130-G225 PolarHBondContact OH-O 3.39Å; Y130-Y226 HydrophobicContact CD1-CD2 4.48Å; Y130-Y226 HydrophobicContact CD1-CE1 4.4Å; Y130-Y226 AromaticContact CD1-CE2 3.6Å; Y130-Y226 HydrophobicContact CD1-CE2 3.6Å; Y130-Y226 AromaticContact CD1-CZ 3.54Å; Y130-Y226 WeakPolarHBondContact CD1-OH 3.19Å; Y130-Y226 HydrophobicContact CE1-CD2 4.24Å; Y130-Y226 HydrophobicContact CE1-CE1 4.24Å; Y130-Y226 AromaticContact CE1-CE2 3.76Å; Y130-Y226 HydrophobicContact CE1-CE2 3.76Å; Y130-Y226 AromaticContact CE1-CZ 3.76Å
131	E	98.1	Very high	98.1	Very high	77 Å²	77	42.1 Å²	42.1	36%	0.36	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.2	173.8	-62.3	177.6	165.4	0	0	113.1	N129 N136 R190	N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 2.87Å; N129-E131 WeakPolarHBondContact OD1-CA 3.32Å; N129-E131 WeakPolarHBondContact OD1-CB 3.11Å; N129-E131 PolarHBondContact OD1-N 2.91Å; E131-N136 PolarHBondContact O-ND2 3.28Å; E131-R190 IonicContact OE1-NH1 3.29Å; E131-R190 PolarHBondContact OE1-NH1 2.91Å; E131-R190 IonicContact OE2-CZ 3.99Å; E131-R190 IonicContact OE2-NH1 3.63Å; E131-R190 PolarHBondContact OE2-NH1 3.36Å
132	S	98.4	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-66.4	161.6	178	75.1	0	0	0	0	111.9	N129 Y130 K134 G135 N136 Q191	N129-S132 WeakPolarHBondContact O-CB 3.46Å; N129-S132 PolarHBondContact O-N 2.94Å; N129-S132 VanDerWaalsContact O-N 3.09Å; N129-S132 PolarHBondContact O-OG 3.07Å; N129-S132 PolarHBondContact OD1-N 3.26Å; Y130-S132 VanDerWaalsContact C-N 3.28Å; Y130-S132 PolarHBondContact O-N 3.41Å; S132-K134 PolarHBondContact O-N 3.05Å; S132-K134 VanDerWaalsContact O-N 3.08Å; S132-K134 PolarHBondContact OG-NZ 2.83Å; S132-G135 WeakPolarHBondContact O-CA 3.43Å; S132-G135 PolarHBondContact O-N 3.33Å; S132-G135 PolarHBondContact OG-N 2.59Å; S132-N136 PolarHBondContact O-N 2.88Å; S132-N136 PolarHBondContact O-ND2 3.32Å; S132-Q191 WeakPolarHBondContact CA-O 3.34Å
133	R	98.2	Very high	98.4	Very high	136 Å²	136	39 Å²	39	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-48.2	-43.6	177.3	179.6	177.7	176	176.9	4.4	112.7	S110 E137	S110-R133 PolarHBondContact OG-NE 2.8Å; R133-E137 WeakPolarHBondContact CG-OE1 3.3Å; R133-E137 IonicContact CZ-OE1 3.61Å; R133-E137 IonicContact NE-OE1 3.48Å; R133-E137 PolarHBondContact NE-OE1 3.38Å; R133-E137 IonicContact NH2-OE1 2.71Å; R133-E137 PolarHBondContact NH2-OE1 2.88Å; R133-E137 WeakPolarHBondContact O-CB 3.25Å; R133-E137 VanDerWaalsContact O-CG 3.29Å; R133-E137 WeakPolarHBondContact O-CG 3.35Å; R133-E137 PolarHBondContact O-N 3.08Å
134	K	98.6	Very high	98.5	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.043	19%	0.185	C	C	.	.	H	α-helix	trans	-70.6	-34.3	179.2	97.9	-165.4	69.4	56.7	0	112.8	R112 V114 F126 T128 S132 L138	R112-K134 VanDerWaalsContact NH2-CB 3.28Å; V114-K134 HydrophobicContact CG1-CD 4.48Å; F126-K134 HydrophobicContact CE2-CD 4.41Å; T128-K134 HydrophobicContact CG2-CD 4.23Å; T128-K134 HydrophobicContact CG2-CG 4.23Å; T128-K134 PolarHBondContact OG1-NZ 2.82Å; S132-K134 PolarHBondContact O-N 3.05Å; S132-K134 VanDerWaalsContact O-N 3.08Å; S132-K134 PolarHBondContact OG-NZ 2.83Å; K134-L138 HydrophobicContact CG-CD1 4.46Å; K134-L138 WeakPolarHBondContact O-CB 3.28Å; K134-L138 WeakPolarHBondContact O-CD1 3.31Å; K134-L138 WeakPolarHBondContact O-CG 3.39Å; K134-L138 PolarHBondContact O-N 2.87Å
135	G	98.4	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-54.5	176.9	0	0	0	0	0	109.7	Y130 S132 E137 L138 E139	Y130-G135 CarbonylContact O-C 3.6Å; Y130-G135 VanDerWaalsContact O-CA 3.29Å; Y130-G135 WeakPolarHBondContact O-CA 3.38Å; S132-G135 WeakPolarHBondContact O-CA 3.43Å; S132-G135 PolarHBondContact O-N 3.33Å; S132-G135 PolarHBondContact OG-N 2.59Å; G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 2.83Å; G135-L138 CarbonylContact O-C 3.53Å; G135-L138 WeakPolarHBondContact O-CA 3.47Å; G135-L138 PolarHBondContact O-N 2.86Å; G135-E139 WeakPolarHBondContact O-CG 3.44Å; G135-E139 PolarHBondContact O-N 3.49Å
136	N	98.3	Very high	98.5	Very high	93 Å²	93	37.5 Å²	37.5	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-55.1	-40.6	175.2	-61.5	-38.4	0	0	0	113	Y130 E131 S132 S140	Y130-N136 PolarHBondContact O-N 3.03Å; E131-N136 PolarHBondContact O-ND2 3.28Å; S132-N136 PolarHBondContact O-N 2.88Å; S132-N136 PolarHBondContact O-ND2 3.32Å; N136-S140 WeakPolarHBondContact O-CB 3.42Å; N136-S140 PolarHBondContact O-N 3.45Å; N136-S140 PolarHBondContact O-OG 3.31Å
137	E	98.7	Very high	98.5	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-51.5	172.7	-77.5	171.1	-168.4	0	0	110.9	T102 S110 R112 R133 G135 S140 N141	T102-E137 WeakPolarHBondContact CB-OE2 3.46Å; T102-E137 PolarHBondContact OG1-OE2 3.04Å; S110-E137 VanDerWaalsContact OG-CD 3.28Å; S110-E137 PolarHBondContact OG-OE1 3.29Å; S110-E137 VanDerWaalsContact OG-OE1 3.04Å; S110-E137 PolarHBondContact OG-OE2 2.91Å; R112-E137 IonicContact NH2-OE2 3.76Å; R112-E137 PolarHBondContact NH2-OE2 2.82Å; R133-E137 WeakPolarHBondContact CG-OE1 3.3Å; R133-E137 IonicContact CZ-OE1 3.61Å; R133-E137 IonicContact NE-OE1 3.48Å; R133-E137 PolarHBondContact NE-OE1 3.38Å; R133-E137 IonicContact NH2-OE1 2.71Å; R133-E137 PolarHBondContact NH2-OE1 2.88Å; R133-E137 WeakPolarHBondContact O-CB 3.25Å; R133-E137 VanDerWaalsContact O-CG 3.29Å; R133-E137 WeakPolarHBondContact O-CG 3.35Å; R133-E137 PolarHBondContact O-N 3.08Å; G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 2.83Å; E137-S140 CarbonylContact O-C 3.55Å; E137-S140 PolarHBondContact O-N 3.09Å; E137-S140 VanDerWaalsContact O-N 3.17Å; E137-S140 PolarHBondContact O-OG 2.8Å; E137-N141 PolarHBondContact O-N 3.21Å
138	L	98.6	Very high	98.5	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-39.5	-179.8	-72.2	169.4	0	0	0	114.6	T102 F126 K134 G135 S140 N141 P142 A144 V163 Y226	T102-L138 HydrophobicContact CG2-CD1 4.24Å; T102-L138 HydrophobicContact CG2-CD2 3.57Å; T102-L138 HydrophobicContact CG2-CG 3.75Å; F126-L138 HydrophobicContact CZ-CD1 3.88Å; K134-L138 HydrophobicContact CG-CD1 4.46Å; K134-L138 WeakPolarHBondContact O-CB 3.28Å; K134-L138 WeakPolarHBondContact O-CD1 3.31Å; K134-L138 WeakPolarHBondContact O-CG 3.39Å; K134-L138 PolarHBondContact O-N 2.87Å; G135-L138 CarbonylContact O-C 3.53Å; G135-L138 WeakPolarHBondContact O-CA 3.47Å; G135-L138 PolarHBondContact O-N 2.86Å; L138-S140 PolarHBondContact O-N 3.11Å; L138-N141 CarbonylContact O-C 3.54Å; L138-N141 PolarHBondContact O-N 2.77Å; L138-P142 VanDerWaalsContact O-CA 3.28Å; L138-P142 WeakPolarHBondContact O-CA 3.47Å; L138-A144 HydrophobicContact CD2-CB 4.27Å; L138-V163 HydrophobicContact CD1-CG1 4.3Å; L138-V163 HydrophobicContact CD2-CB 3.86Å; L138-V163 HydrophobicContact CD2-CG1 3.92Å; L138-V163 HydrophobicContact CD2-CG2 3.7Å; L138-Y226 HydrophobicContact CB-CE1 4.28Å; L138-Y226 HydrophobicContact CD1-CD1 4.5Å; L138-Y226 HydrophobicContact CD1-CD2 3.92Å; L138-Y226 HydrophobicContact CD1-CE1 4.45Å; L138-Y226 HydrophobicContact CD1-CE2 3.84Å; L138-Y226 HydrophobicContact CD1-CG 4.25Å
139	E	98	Very high	98.5	Very high	89 Å²	89	42.7 Å²	42.7	42%	0.416	21%	0.205	S	C	.	.	H	α-helix	trans	-64.7	-31.5	174.8	-63.1	-58.1	131	0	0	111.8	G135 R165 Y226	G135-E139 WeakPolarHBondContact O-CG 3.44Å; G135-E139 PolarHBondContact O-N 3.49Å; E139-R165 IonicContact OE1-CZ 3.15Å; E139-R165 IonicContact OE1-NE 3.88Å; E139-R165 PolarHBondContact OE1-NE 2.89Å; E139-R165 IonicContact OE1-NH2 2.68Å; E139-R165 PolarHBondContact OE1-NH2 2.98Å; E139-R165 IonicContact OE2-CZ 2.68Å; E139-R165 IonicContact OE2-NE 2.9Å; E139-R165 PolarHBondContact OE2-NE 3.22Å; E139-R165 IonicContact OE2-NH2 3.66Å; E139-R165 PolarHBondContact OE2-NH2 3.26Å; E139-Y226 VanDerWaalsContact OE1-CE1 3.31Å; E139-Y226 WeakPolarHBondContact OE1-CE1 3.38Å; E139-Y226 PolarHBondContact OE1-OH 2.75Å
140	S	97.9	Very high	98.5	Very high	41 Å²	41	42.8 Å²	42.8	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-86.1	-32.7	178.6	81	0	0	0	0	112.8	K105 N136 E137 L138	K105-S140 WeakPolarHBondContact CE-O 3.39Å; K105-S140 WeakPolarHBondContact CG-O 3.48Å; N136-S140 WeakPolarHBondContact O-CB 3.42Å; N136-S140 PolarHBondContact O-N 3.45Å; N136-S140 PolarHBondContact O-OG 3.31Å; E137-S140 CarbonylContact O-C 3.55Å; E137-S140 PolarHBondContact O-N 3.09Å; E137-S140 VanDerWaalsContact O-N 3.17Å; E137-S140 PolarHBondContact O-OG 2.8Å; L138-S140 PolarHBondContact O-N 3.11Å
141	N	98.5	Very high	98.4	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	22%	0.215	C	C	.	.	S	Bend	trans	-145.5	88.7	-170.9	-179.3	30.1	0	0	0	107.9	A103 E137 L138 Y143	A103-N141 WeakPolarHBondContact O-CB 3.35Å; A103-N141 PolarHBondContact O-ND2 2.81Å; E137-N141 PolarHBondContact O-N 3.21Å; L138-N141 CarbonylContact O-C 3.54Å; L138-N141 PolarHBondContact O-N 2.77Å; N141-Y143 PolarHBondContact O-N 3.43Å
142	P	98.4	Very high	98.3	Very high	57 Å²	57	43.1 Å²	43.1	37%	0.37	21%	0.211	S	C	.	.			trans	-80.1	56.1	-166.3	33.3	-37.6	0	0	0	112.4	L138 S162 V163	L138-P142 VanDerWaalsContact O-CA 3.28Å; L138-P142 WeakPolarHBondContact O-CA 3.47Å; P142-S162 CarbonylContact O-C 3.51Å; P142-S162 VanDerWaalsContact O-CA 3.25Å; P142-S162 WeakPolarHBondContact O-CA 3.49Å; P142-V163 WeakPolarHBondContact CB-O 3.45Å; P142-V163 PolarHBondContact O-N 2.72Å
143	Y	98.8	Very high	98.1	Very high	130 Å²	130	44.2 Å²	44.2	51%	0.51	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142	178.1	-65.4	-83.4	0	0	0	110.4	N141 G161	N141-Y143 PolarHBondContact O-N 3.43Å; Y143-G161 WeakPolarHBondContact CA-O 3.13Å
144	A	98.8	Very high	98	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.5	177.1	0	0	0	0	0	112.1	I100 A101 T102 L138 G161 V163 V228	I100-A144 HydrophobicContact CD1-CB 4.08Å; I100-A144 HydrophobicContact CG1-CB 4.15Å; A101-A144 WeakPolarHBondContact O-CA 3.31Å; T102-A144 HydrophobicContact CG2-CB 4.25Å; L138-A144 HydrophobicContact CD2-CB 4.27Å; A144-G161 PolarHBondContact N-O 2.68Å; A144-G161 PolarHBondContact O-N 2.97Å; A144-G161 VanDerWaalsContact O-N 3.15Å; A144-V163 HydrophobicContact CB-CG2 3.59Å; A144-V228 HydrophobicContact CB-CG2 4.41Å
145	C	98.8	Very high	98	Very high	27 Å²	27	39.6 Å²	39.6	18%	0.182	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129	163.6	-176.8	0	0	0	0	108.7	I100 A101 I159 E160	I100-C145 WeakPolarHBondContact CA-O 3.28Å; A101-C145 HydrophobicContact CB-CB 4.36Å; A101-C145 PolarHBondContact N-O 3.4Å; A101-C145 PolarHBondContact O-N 3.37Å; C145-I159 CarbonylContact C-O 3.37Å; C145-I159 VanDerWaalsContact CA-O 3.3Å; C145-I159 WeakPolarHBondContact CA-O 3.47Å; C145-E160 HydrophobicContact CB-CG 4.13Å
146	L	98.9	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.1	171.6	-49.1	176.7	0	0	0	109	M98 C99 I100 F124 F148 R158 I159 V228	M98-L146 HydrophobicContact CE-CD1 4.21Å; M98-L146 HydrophobicContact CE-CD2 3.89Å; M98-L146 HydrophobicContact SD-CB 4.23Å; M98-L146 HydrophobicContact SD-CD1 3.85Å; M98-L146 HydrophobicContact SD-CD2 3.93Å; M98-L146 HydrophobicContact SD-CG 4.22Å; C99-L146 CarbonylContact O-C 3.53Å; C99-L146 WeakPolarHBondContact O-CA 2.92Å; I100-L146 HydrophobicContact CB-CD2 3.77Å; I100-L146 HydrophobicContact CD1-CD2 3.85Å; I100-L146 HydrophobicContact CG1-CD2 3.69Å; F124-L146 HydrophobicContact CB-CD1 3.78Å; F124-L146 HydrophobicContact CG-CD1 4.25Å; L146-F148 HydrophobicContact CB-CE2 4.42Å; L146-R158 CarbonylContact O-C 3.6Å; L146-R158 WeakPolarHBondContact O-CA 3.42Å; L146-I159 HydrophobicContact CB-CB 4.17Å; L146-I159 HydrophobicContact CD1-CB 4.45Å; L146-I159 HydrophobicContact CD1-CD1 4.32Å; L146-I159 PolarHBondContact N-O 2.95Å; L146-I159 PolarHBondContact O-N 3.25Å; L146-V228 HydrophobicContact CD1-CB 4.12Å; L146-V228 HydrophobicContact CD1-CG1 4.41Å; L146-V228 HydrophobicContact CD1-CG2 3.99Å; L146-V228 HydrophobicContact CD2-CG2 4.13Å; L146-V228 HydrophobicContact CG-CG2 4.24Å
147	V	98.9	Very high	98	Very high	39 Å²	39	37.7 Å²	37.7	24%	0.236	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.5	174	-174.7	0	0	0	0	109.8	M98 C99 Q156 I157 R158	M98-V147 CarbonylContact C-O 3.57Å; M98-V147 WeakPolarHBondContact CA-O 3.46Å; C99-V147 HydrophobicContact CB-CB 4.3Å; C99-V147 PolarHBondContact N-O 2.74Å; C99-V147 PolarHBondContact O-N 3.28Å; V147-Q156 HydrophobicContact CG1-CG 4.07Å; V147-I157 WeakPolarHBondContact CA-O 3.36Å; V147-R158 HydrophobicContact CG2-CG 4.41Å
148	F	98.9	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.3	164.9	-63.6	-99.6	0	0	0	108.1	F79 M98 L116 L146 W150 Q156 I157 I159	F79-F148 HydrophobicContact CE2-CD1 4.43Å; F79-F148 AromaticContact CE2-CD2 3.92Å; F79-F148 HydrophobicContact CE2-CD2 3.92Å; F79-F148 HydrophobicContact CE2-CE1 4.24Å; F79-F148 AromaticContact CE2-CE2 3.73Å; F79-F148 HydrophobicContact CE2-CE2 3.73Å; F79-F148 HydrophobicContact CE2-CG 4.29Å; F79-F148 AromaticContact CE2-CZ 3.9Å; F79-F148 HydrophobicContact CE2-CZ 3.9Å; F79-F148 HydrophobicContact CZ-CE1 4.12Å; F79-F148 HydrophobicContact CZ-CE2 4.22Å; F79-F148 AromaticContact CZ-CZ 3.91Å; F79-F148 HydrophobicContact CZ-CZ 3.91Å; M98-F148 HydrophobicContact CB-CD1 4Å; M98-F148 HydrophobicContact CB-CD2 4.21Å; M98-F148 HydrophobicContact CB-CE1 3.73Å; M98-F148 HydrophobicContact CB-CE2 3.93Å; M98-F148 HydrophobicContact CB-CG 4.24Å; M98-F148 HydrophobicContact CB-CZ 3.68Å; M98-F148 HydrophobicContact CG-CE1 4.42Å; M98-F148 HydrophobicContact CG-CZ 4.11Å; M98-F148 HydrophobicContact SD-CE1 4.26Å; M98-F148 HydrophobicContact SD-CE2 3.87Å; M98-F148 HydrophobicContact SD-CZ 3.46Å; M98-F148 WeakPolarHBondContact SD-CZ 3.36Å; L116-F148 HydrophobicContact CB-CE1 4.25Å; L116-F148 HydrophobicContact CB-CZ 4.09Å; L116-F148 HydrophobicContact CD1-CZ 4.5Å; L116-F148 HydrophobicContact CD2-CE1 4.28Å; L116-F148 HydrophobicContact CD2-CZ 3.92Å; L116-F148 HydrophobicContact CG-CZ 4.39Å; L146-F148 HydrophobicContact CB-CE2 4.42Å; F148-W150 HydrophobicContact CB-CH2 4.35Å; F148-W150 HydrophobicContact CB-CZ2 3.98Å; F148-W150 AromaticContact CD1-CZ2 3.93Å; F148-W150 HydrophobicContact CD1-CZ2 3.93Å; F148-W150 HydrophobicContact CG-CZ2 4.2Å; F148-Q156 VanDerWaalsContact O-CA 3.26Å; F148-Q156 WeakPolarHBondContact O-CA 3.32Å; F148-I157 HydrophobicContact CB-CB 4.33Å; F148-I157 HydrophobicContact CD2-CB 4.49Å; F148-I157 PolarHBondContact N-O 2.81Å; F148-I157 PolarHBondContact O-N 3.49Å; F148-I159 HydrophobicContact CD2-CD1 4.36Å; F148-I159 HydrophobicContact CE2-CD1 3.88Å
149	Y	98.6	Very high	98	Very high	108 Å²	108	40.5 Å²	40.5	42%	0.424	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	110.2	174.2	178.3	-118.5	0	0	0	109.8	E151 R155 Q156	Y149-E151 HydrophobicContact CD1-CB 4.35Å; Y149-E151 HydrophobicContact CE1-CB 3.66Å; Y149-E151 HydrophobicContact CE1-CG 3.92Å; Y149-R155 WeakPolarHBondContact CD2-O 3.25Å; Y149-Q156 HydrophobicContact CD2-CB 4.25Å
150	W	98.3	Very high	98.1	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	88.2	178.4	-54.4	-55.5	0	0	0	108	W82 F83 A86 V92 P95 F148 P152 L153 H154 R155 I157	W82-W150 HydrophobicContact CB-CH2 4.4Å; W82-W150 HydrophobicContact CB-CZ3 3.94Å; W82-W150 HydrophobicContact CE3-CZ3 4.3Å; F83-W150 HydrophobicContact CB-CH2 4.47Å; F83-W150 HydrophobicContact CD2-CZ2 4.06Å; A86-W150 HydrophobicContact CB-CD2 3.58Å; A86-W150 HydrophobicContact CB-CE3 4.07Å; A86-W150 HydrophobicContact CB-CG 3.88Å; A86-W150 HydrophobicContact CB-CH2 4.38Å; A86-W150 HydrophobicContact CB-CZ2 3.96Å; A86-W150 HydrophobicContact CB-CZ3 4.44Å; V92-W150 HydrophobicContact CG1-CG 4.39Å; V92-W150 HydrophobicContact CG2-CB 4.25Å; P95-W150 PolarHBondContact O-NE1 3.2Å; F148-W150 HydrophobicContact CB-CH2 4.35Å; F148-W150 HydrophobicContact CB-CZ2 3.98Å; F148-W150 AromaticContact CD1-CZ2 3.93Å; F148-W150 HydrophobicContact CD1-CZ2 3.93Å; F148-W150 HydrophobicContact CG-CZ2 4.2Å; W150-P152 VanDerWaalsContact C-CD 3.44Å; W150-P152 VanDerWaalsContact C-N 3.34Å; W150-L153 HydrophobicContact CB-CB 4.29Å; W150-L153 HydrophobicContact CB-CD1 4.27Å; W150-L153 HydrophobicContact CB-CG 4.42Å; W150-L153 PolarHBondContact O-N 3.15Å; W150-H154 PolarHBondContact O-N 2.83Å; W150-H154 VanDerWaalsContact O-N 3.08Å; W150-R155 HydrophobicContact CE3-CB 4.06Å; W150-R155 PolarHBondContact N-O 3.17Å; W150-R155 PolarHBondContact O-N 3.06Å; W150-I157 HydrophobicContact CH2-CD1 3.56Å; W150-I157 HydrophobicContact CH2-CG1 4.25Å; W150-I157 HydrophobicContact CZ3-CD1 3.64Å; W150-I157 HydrophobicContact CZ3-CG1 3.99Å
151	E	96	Very high	98.1	Very high	64 Å²	64	37.3 Å²	37.3	30%	0.299	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-51.7	-42.7	-175.8	-166.7	-87.8	168.6	0	0	113.9	K56 Y149 L153 H154	K56-E151 VanDerWaalsContact CD-OE1 3.3Å; K56-E151 WeakPolarHBondContact CD-OE1 3.44Å; K56-E151 VanDerWaalsContact CE-OE1 3.28Å; K56-E151 WeakPolarHBondContact CE-OE1 3.39Å; K56-E151 IonicContact NZ-OE1 3.53Å; K56-E151 PolarHBondContact NZ-OE1 3.07Å; K56-E151 IonicContact NZ-OE2 2.82Å; K56-E151 PolarHBondContact NZ-OE2 2.67Å; Y149-E151 HydrophobicContact CD1-CB 4.35Å; Y149-E151 HydrophobicContact CE1-CB 3.66Å; Y149-E151 HydrophobicContact CE1-CG 3.92Å; E151-L153 VanDerWaalsContact C-N 3.31Å; E151-L153 PolarHBondContact O-N 2.9Å; E151-H154 PolarHBondContact O-CE1 3.04Å; E151-H154 PolarHBondContact O-N 3.09Å; E151-H154 VanDerWaalsContact O-N 3.13Å; E151-H154 PolarHBondContact O-ND1 2.95Å
152	P	95.3	Very high	98.1	Very high	43 Å²	43	37.7 Å²	37.7	28%	0.279	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-64.8	-29.3	178.2	-23.3	35.4	0	0	0	114.5	E91 V92 W150	E91-P152 HydrophobicContact CB-CB 3.74Å; E91-P152 HydrophobicContact CB-CG 3.49Å; E91-P152 VanDerWaalsContact CB-CG 3.49Å; V92-P152 HydrophobicContact CG2-CB 4.37Å; V92-P152 HydrophobicContact CG2-CG 3.96Å; W150-P152 VanDerWaalsContact C-CD 3.44Å; W150-P152 VanDerWaalsContact C-N 3.34Å
153	L	95.5	Very high	98.1	Very high	22 Å²	22	35.7 Å²	35.7	12%	0.115	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-89	-10	177.3	-60.3	-178.4	0	0	0	112.7	A86 C89 W150 E151 R155 Q237	A86-L153 HydrophobicContact CB-CD1 4.07Å; C89-L153 HydrophobicContact CB-CD2 4.2Å; C89-L153 HydrophobicContact CB-CG 4.47Å; W150-L153 HydrophobicContact CB-CB 4.29Å; W150-L153 HydrophobicContact CB-CD1 4.27Å; W150-L153 HydrophobicContact CB-CG 4.42Å; W150-L153 PolarHBondContact O-N 3.15Å; E151-L153 VanDerWaalsContact C-N 3.31Å; E151-L153 PolarHBondContact O-N 2.9Å; L153-R155 HydrophobicContact CB-CB 4.29Å; L153-R155 HydrophobicContact CB-CG 4.21Å; L153-R155 PolarHBondContact O-N 3.21Å; L153-Q237 PolarHBondContact O-NE2 2.86Å; L153-Q237 VanDerWaalsContact O-NE2 3.16Å
154	H	96.3	Very high	98.1	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.139	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.9	-168.9	-47.6	-38.6	0	0	0	112.2	Y58 W150 E151 W236 Q237 G238	Y58-H154 VanDerWaalsContact CA-CD2 3.46Å; Y58-H154 WeakPolarHBondContact CA-CD2 3.29Å; Y58-H154 HydrophobicContact CD1-CB 4.01Å; Y58-H154 AromaticContact CD1-CD2 3.59Å; Y58-H154 AromaticContact CD1-CE1 3.7Å; Y58-H154 AromaticContact CD1-CG 3.4Å; Y58-H154 AromaticContact CD1-ND1 3.48Å; Y58-H154 WeakPolarHBondContact CD1-ND1 3.46Å; Y58-H154 AromaticContact CD1-NE2 3.74Å; Y58-H154 HydrophobicContact CE1-CB 4.48Å; Y58-H154 AromaticContact CE1-ND1 3.78Å; Y58-H154 HydrophobicContact CG-CB 4.25Å; Y58-H154 AromaticContact CG-CG 3.98Å; W150-H154 PolarHBondContact O-N 2.83Å; W150-H154 VanDerWaalsContact O-N 3.08Å; E151-H154 PolarHBondContact O-CE1 3.04Å; E151-H154 PolarHBondContact O-N 3.09Å; E151-H154 VanDerWaalsContact O-N 3.13Å; E151-H154 PolarHBondContact O-ND1 2.95Å; H154-W236 VanDerWaalsContact O-CZ3 3.22Å; H154-W236 WeakPolarHBondContact O-CZ3 3.42Å; H154-Q237 PolarHBondContact O-NE2 2.88Å; H154-G238 PolarHBondContact O-N 3.26Å
155	R	97.6	Very high	98.1	Very high	20 Å²	20	38.6 Å²	38.6	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.5	-178.9	-75.7	177.2	-178.3	173.1	8.4	111.9	W82 E85 Y149 W150 L153 W236	W82-R155 HydrophobicContact CE3-CB 4.09Å; W82-R155 HydrophobicContact CE3-CG 4.09Å; W82-R155 HydrophobicContact CH2-CB 4.44Å; W82-R155 HydrophobicContact CH2-CG 3.9Å; W82-R155 HydrophobicContact CZ2-CG 4.31Å; W82-R155 HydrophobicContact CZ3-CB 3.85Å; W82-R155 HydrophobicContact CZ3-CG 3.78Å; E85-R155 IonicContact OE1-CZ 3.46Å; E85-R155 IonicContact OE1-NH1 2.67Å; E85-R155 PolarHBondContact OE1-NH1 2.96Å; E85-R155 IonicContact OE1-NH2 3.94Å; E85-R155 IonicContact OE2-CZ 3.6Å; E85-R155 VanDerWaalsContact OE2-CZ 3.29Å; E85-R155 IonicContact OE2-NH1 3.91Å; E85-R155 PolarHBondContact OE2-NH1 3.09Å; E85-R155 IonicContact OE2-NH2 3.58Å; E85-R155 PolarHBondContact OE2-NH2 3.26Å; Y149-R155 WeakPolarHBondContact CD2-O 3.25Å; W150-R155 HydrophobicContact CE3-CB 4.06Å; W150-R155 PolarHBondContact N-O 3.17Å; W150-R155 PolarHBondContact O-N 3.06Å; L153-R155 HydrophobicContact CB-CB 4.29Å; L153-R155 HydrophobicContact CB-CG 4.21Å; L153-R155 PolarHBondContact O-N 3.21Å; R155-W236 WeakPolarHBondContact CA-O 3.2Å
156	Q	98.8	Very high	98.1	Very high	52 Å²	52	37.8 Å²	37.8	24%	0.243	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.7	168.7	162.2	175.5	103.2	0	0	109.2	V147 F148 Y149 R158 W236	V147-Q156 HydrophobicContact CG1-CG 4.07Å; F148-Q156 VanDerWaalsContact O-CA 3.26Å; F148-Q156 WeakPolarHBondContact O-CA 3.32Å; Y149-Q156 HydrophobicContact CD2-CB 4.25Å; Q156-R158 HydrophobicContact CG-CG 4.25Å; Q156-W236 HydrophobicContact CB-CB 4Å; Q156-W236 HydrophobicContact CB-CD2 4.37Å; Q156-W236 HydrophobicContact CB-CE3 4.04Å; Q156-W236 HydrophobicContact CB-CG 4.38Å; Q156-W236 HydrophobicContact CG-CB 4.43Å; Q156-W236 PolarHBondContact N-O 2.88Å; Q156-W236 PolarHBondContact O-N 3.34Å
157	I	98.9	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.9	164.5	-54.3	179.4	0	0	0	108	F79 W82 V147 F148 W150 I159 I233 E234 F235	F79-I157 HydrophobicContact CD2-CD1 3.54Å; F79-I157 HydrophobicContact CD2-CG2 4.27Å; F79-I157 HydrophobicContact CE2-CD1 4.04Å; F79-I157 HydrophobicContact CG-CD1 4.41Å; W82-I157 HydrophobicContact CB-CD1 4.21Å; W82-I157 HydrophobicContact CE3-CD1 3.94Å; W82-I157 HydrophobicContact CE3-CG1 3.72Å; W82-I157 HydrophobicContact CZ3-CG1 4.17Å; V147-I157 WeakPolarHBondContact CA-O 3.36Å; F148-I157 HydrophobicContact CB-CB 4.33Å; F148-I157 HydrophobicContact CD2-CB 4.49Å; F148-I157 PolarHBondContact N-O 2.81Å; F148-I157 PolarHBondContact O-N 3.49Å; W150-I157 HydrophobicContact CH2-CD1 3.56Å; W150-I157 HydrophobicContact CH2-CG1 4.25Å; W150-I157 HydrophobicContact CZ3-CD1 3.64Å; W150-I157 HydrophobicContact CZ3-CG1 3.99Å; I157-I159 HydrophobicContact CG2-CD1 4.41Å; I157-I159 HydrophobicContact CG2-CG1 4.05Å; I157-I233 HydrophobicContact CG2-CG2 3.94Å; I157-E234 VanDerWaalsContact CA-O 3.28Å; I157-E234 WeakPolarHBondContact CA-O 3.44Å; I157-F235 HydrophobicContact CD1-CD1 4.05Å; I157-F235 HydrophobicContact CD1-CE1 3.79Å; I157-F235 HydrophobicContact CG1-CD1 4.01Å; I157-F235 HydrophobicContact CG1-CE1 4.19Å; I157-F235 HydrophobicContact CG2-CE1 4.34Å
158	R	98.9	Very high	97.9	Very high	75 Å²	75	46.3 Å²	46.3	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.5	167.2	-59.8	168.2	53.7	-160.6	0.6	109.1	L146 V147 Q156 E160 I233 E234	L146-R158 CarbonylContact O-C 3.6Å; L146-R158 WeakPolarHBondContact O-CA 3.42Å; V147-R158 HydrophobicContact CG2-CG 4.41Å; Q156-R158 HydrophobicContact CG-CG 4.25Å; R158-E160 IonicContact CZ-OE1 3.39Å; R158-E160 IonicContact NE-OE1 2.9Å; R158-E160 IonicContact NH2-OE1 2.78Å; R158-E160 PolarHBondContact NH2-OE1 2.88Å; R158-I233 CarbonylContact O-C 3.58Å; R158-I233 VanDerWaalsContact O-CA 3.3Å; R158-I233 WeakPolarHBondContact O-CA 3.33Å; R158-E234 HydrophobicContact CB-CB 4.13Å; R158-E234 IonicContact CZ-OE2 3.74Å; R158-E234 PolarHBondContact N-O 3.07Å; R158-E234 IonicContact NE-OE2 2.68Å; R158-E234 IonicContact NH1-OE2 2.74Å; R158-E234 PolarHBondContact NH1-OE2 3.39Å; R158-E234 PolarHBondContact O-N 3.44Å
159	I	98.9	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.2	174.5	-59.3	156.6	0	0	0	108	F79 F124 C145 L146 F148 I157 P230 A232 I233	F79-I159 HydrophobicContact CD2-CD1 4.27Å; F79-I159 HydrophobicContact CE2-CD1 4.35Å; F124-I159 HydrophobicContact CD1-CD1 3.85Å; F124-I159 HydrophobicContact CD2-CD1 4Å; F124-I159 HydrophobicContact CD2-CG2 4.01Å; F124-I159 HydrophobicContact CE1-CD1 3.58Å; F124-I159 HydrophobicContact CE2-CD1 3.74Å; F124-I159 HydrophobicContact CE2-CG1 4.33Å; F124-I159 HydrophobicContact CE2-CG2 4.02Å; F124-I159 HydrophobicContact CG-CD1 4.06Å; F124-I159 HydrophobicContact CZ-CD1 3.53Å; F124-I159 HydrophobicContact CZ-CG1 4.37Å; C145-I159 CarbonylContact C-O 3.37Å; C145-I159 VanDerWaalsContact CA-O 3.3Å; C145-I159 WeakPolarHBondContact CA-O 3.47Å; L146-I159 HydrophobicContact CB-CB 4.17Å; L146-I159 HydrophobicContact CD1-CB 4.45Å; L146-I159 HydrophobicContact CD1-CD1 4.32Å; L146-I159 PolarHBondContact N-O 2.95Å; L146-I159 PolarHBondContact O-N 3.25Å; F148-I159 HydrophobicContact CD2-CD1 4.36Å; F148-I159 HydrophobicContact CE2-CD1 3.88Å; I157-I159 HydrophobicContact CG2-CD1 4.41Å; I157-I159 HydrophobicContact CG2-CG1 4.05Å; I159-P230 HydrophobicContact CG2-CB 3.81Å; I159-A232 WeakPolarHBondContact CA-O 3.48Å; I159-I233 HydrophobicContact CG1-CD1 4.49Å; I159-I233 HydrophobicContact CG1-CG1 4.16Å; I159-I233 HydrophobicContact CG1-CG2 4.15Å; I159-I233 HydrophobicContact CG2-CG1 4.21Å
160	E	98.9	Very high	97.7	Very high	62 Å²	62	50.1 Å²	50.1	29%	0.29	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.9	177.4	-64.3	173.8	-169.8	0	0	109.2	C145 R158 P230 H231 A232	C145-E160 HydrophobicContact CB-CG 4.13Å; R158-E160 IonicContact CZ-OE1 3.39Å; R158-E160 IonicContact NE-OE1 2.9Å; R158-E160 IonicContact NH2-OE1 2.78Å; R158-E160 PolarHBondContact NH2-OE1 2.88Å; E160-P230 WeakPolarHBondContact O-CA 3.31Å; E160-H231 PolarHBondContact O-N 3.34Å; E160-A232 HydrophobicContact CB-CB 4.33Å; E160-A232 PolarHBondContact N-O 2.76Å; E160-A232 PolarHBondContact O-N 3.19Å; E160-A232 VanDerWaalsContact O-N 3.15Å
161	G	98.5	Very high	97.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	161.6	-170.1	0	0	0	0	0	114.5	Y143 A144 K229	Y143-G161 WeakPolarHBondContact CA-O 3.13Å; A144-G161 PolarHBondContact N-O 2.68Å; A144-G161 PolarHBondContact O-N 2.97Å; A144-G161 VanDerWaalsContact O-N 3.15Å; G161-K229 CarbonylContact C-O 3.53Å; G161-K229 WeakPolarHBondContact CA-O 3.23Å
162	S	98.6	Very high	97.8	Very high	49 Å²	49	47.6 Å²	47.6	34%	0.343	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	158.7	162.6	56.9	0	0	0	0	110.2	P142 V228 K229	P142-S162 CarbonylContact O-C 3.51Å; P142-S162 VanDerWaalsContact O-CA 3.25Å; P142-S162 WeakPolarHBondContact O-CA 3.49Å; S162-V228 CarbonylContact O-C 3.41Å; S162-V228 WeakPolarHBondContact O-CA 3.38Å; S162-K229 PolarHBondContact N-O 2.79Å; S162-K229 PolarHBondContact O-N 2.88Å
163	V	98.8	Very high	97.9	Very high	14 Å²	14	49.8 Å²	49.8	9%	0.085	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.3	-174.7	-170.8	0	0	0	0	110.9	L138 P142 A144 Y226 M227 V228	L138-V163 HydrophobicContact CD1-CG1 4.3Å; L138-V163 HydrophobicContact CD2-CB 3.86Å; L138-V163 HydrophobicContact CD2-CG1 3.92Å; L138-V163 HydrophobicContact CD2-CG2 3.7Å; P142-V163 WeakPolarHBondContact CB-O 3.45Å; P142-V163 PolarHBondContact O-N 2.72Å; A144-V163 HydrophobicContact CB-CG2 3.59Å; V163-Y226 HydrophobicContact CG1-CD1 3.75Å; V163-Y226 HydrophobicContact CG1-CG 4Å; V163-M227 WeakPolarHBondContact CA-O 3.3Å; V163-V228 HydrophobicContact CG2-CG1 4.43Å; V163-V228 HydrophobicContact CG2-CG2 4.09Å
164	E	98.3	Very high	98	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.383	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153	173.9	64.8	-174.8	-159.3	0	0	110.8	Y226 M227 K229	E164-Y226 CarbonylContact O-C 3.56Å; E164-Y226 VanDerWaalsContact O-CA 3.25Å; E164-Y226 WeakPolarHBondContact O-CA 3.45Å; E164-M227 HydrophobicContact CG-CB 4.04Å; E164-M227 PolarHBondContact N-O 3.26Å; E164-M227 PolarHBondContact O-N 2.95Å; E164-K229 WeakPolarHBondContact OE1-CE 3.49Å; E164-K229 IonicContact OE1-NZ 2.94Å; E164-K229 PolarHBondContact OE1-NZ 2.98Å; E164-K229 WeakPolarHBondContact OE2-CE 3.48Å; E164-K229 IonicContact OE2-NZ 2.8Å; E164-K229 PolarHBondContact OE2-NZ 2.89Å
165	R	98.4	Very high	98.1	Very high	117 Å²	117	49.8 Å²	49.8	44%	0.442	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	140.2	166.7	-65.2	-173.4	-171.5	-168.1	9.4	109	Y130 E139 G225 Y226	Y130-R165 HydrophobicContact CE1-CG 4.05Å; E139-R165 IonicContact OE1-CZ 3.15Å; E139-R165 IonicContact OE1-NE 3.88Å; E139-R165 PolarHBondContact OE1-NE 2.89Å; E139-R165 IonicContact OE1-NH2 2.68Å; E139-R165 PolarHBondContact OE1-NH2 2.98Å; E139-R165 IonicContact OE2-CZ 2.68Å; E139-R165 IonicContact OE2-NE 2.9Å; E139-R165 PolarHBondContact OE2-NE 3.22Å; E139-R165 IonicContact OE2-NH2 3.66Å; E139-R165 PolarHBondContact OE2-NH2 3.26Å; R165-G225 WeakPolarHBondContact CA-O 3.33Å; R165-Y226 HydrophobicContact CG-CD1 3.99Å; R165-Y226 HydrophobicContact CG-CE1 3.6Å
166	I	98	Very high	98.1	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.056	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-74.9	161.7	170.3	75	175.5	0	0	0	110	R125 F127 N170 S171 G225 M227	R125-I166 HydrophobicContact CG-CG2 4.35Å; F127-I166 HydrophobicContact CE1-CD1 3.52Å; F127-I166 HydrophobicContact CZ-CD1 3.58Å; I166-N170 HydrophobicContact CD1-CB 3.76Å; I166-N170 HydrophobicContact CG1-CB 4.2Å; I166-S171 WeakPolarHBondContact CG1-OG 3.37Å; I166-G225 PolarHBondContact N-O 2.77Å; I166-M227 HydrophobicContact CG2-CB 4.03Å
167	P	97.4	Very high	98.1	Very high	79 Å²	79	54.4 Å²	54.4	51%	0.513	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-51.8	142.3	174.4	-28.1	35.9	0	0	0	112.7	Q169 N170 S171	P167-Q169 VanDerWaalsContact C-N 3.28Å; P167-Q169 PolarHBondContact O-N 3.47Å; P167-N170 WeakPolarHBondContact O-CB 3.36Å; P167-N170 PolarHBondContact O-N 2.8Å; P167-N170 VanDerWaalsContact O-N 3.09Å; P167-S171 PolarHBondContact O-N 3.15Å
168	Y	96.6	Very high	98	Very high	139 Å²	139	56.5 Å²	56.5	55%	0.545	28%	0.277	S	S	.	.	H	α-helix	trans	-54.1	-43.9	-178	176.5	-99.5	0	0	0	112.2	N170 S171 C172 M219	Y168-N170 PolarHBondContact O-N 3.29Å; Y168-S171 CarbonylContact O-C 3.47Å; Y168-S171 WeakPolarHBondContact O-CA 3.33Å; Y168-S171 VanDerWaalsContact O-CB 3.29Å; Y168-S171 WeakPolarHBondContact O-CB 3.49Å; Y168-S171 PolarHBondContact O-N 3.01Å; Y168-C172 WeakPolarHBondContact CE1-SG 3.46Å; Y168-C172 PolarHBondContact O-N 2.91Å; Y168-C172 PolarHBondContact O-SG 2.83Å; Y168-M219 HydrophobicContact CD2-CE 3.75Å; Y168-M219 HydrophobicContact CE2-CE 3.25Å
169	Q	97.5	Very high	97.9	Very high	109 Å²	109	57.6 Å²	57.6	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-44.7	178.2	-168.2	60	46.3	0	0	112.3	P167 S171 C172 D173	P167-Q169 VanDerWaalsContact C-N 3.28Å; P167-Q169 PolarHBondContact O-N 3.47Å; Q169-S171 PolarHBondContact O-N 3.15Å; Q169-C172 WeakPolarHBondContact O-CA 3.43Å; Q169-C172 WeakPolarHBondContact O-CB 3.34Å; Q169-C172 PolarHBondContact O-N 2.85Å; Q169-D173 PolarHBondContact NE2-OD1 2.91Å; Q169-D173 PolarHBondContact O-N 3.5Å
170	N	97.3	Very high	97.7	Very high	79 Å²	79	61.5 Å²	61.5	42%	0.422	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-26.6	176.2	-57.6	20.2	0	0	0	112.1	I166 P167 Y168 Y174	I166-N170 HydrophobicContact CD1-CB 3.76Å; I166-N170 HydrophobicContact CG1-CB 4.2Å; P167-N170 WeakPolarHBondContact O-CB 3.36Å; P167-N170 PolarHBondContact O-N 2.8Å; P167-N170 VanDerWaalsContact O-N 3.09Å; Y168-N170 PolarHBondContact O-N 3.29Å; N170-Y174 WeakPolarHBondContact O-CB 3.42Å; N170-Y174 PolarHBondContact O-N 3.42Å
171	S	98.1	Very high	97.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-74.4	-43.7	171.2	-60.5	0	0	0	0	111.9	I166 P167 Y168 Q169 Y174 F175 G225	I166-S171 WeakPolarHBondContact CG1-OG 3.37Å; P167-S171 PolarHBondContact O-N 3.15Å; Y168-S171 CarbonylContact O-C 3.47Å; Y168-S171 WeakPolarHBondContact O-CA 3.33Å; Y168-S171 VanDerWaalsContact O-CB 3.29Å; Y168-S171 WeakPolarHBondContact O-CB 3.49Å; Y168-S171 PolarHBondContact O-N 3.01Å; Q169-S171 PolarHBondContact O-N 3.15Å; S171-Y174 PolarHBondContact O-N 3.43Å; S171-F175 WeakPolarHBondContact O-CB 3.24Å; S171-F175 PolarHBondContact O-N 3.05Å; S171-G225 PolarHBondContact OG-N 3.34Å
172	C	97.6	Very high	97.5	Very high	15 Å²	15	63.1 Å²	63.1	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-53	173.5	-64.4	0	0	0	0	111.7	Y168 Q169 Y174 F175 H176 M219	Y168-C172 WeakPolarHBondContact CE1-SG 3.46Å; Y168-C172 PolarHBondContact O-N 2.91Å; Y168-C172 PolarHBondContact O-SG 2.83Å; Q169-C172 WeakPolarHBondContact O-CA 3.43Å; Q169-C172 WeakPolarHBondContact O-CB 3.34Å; Q169-C172 PolarHBondContact O-N 2.85Å; C172-Y174 VanDerWaalsContact C-N 3.26Å; C172-Y174 PolarHBondContact O-N 3.49Å; C172-F175 WeakPolarHBondContact O-CA 3.36Å; C172-F175 WeakPolarHBondContact O-CB 3.28Å; C172-F175 PolarHBondContact O-N 3.19Å; C172-H176 PolarHBondContact O-CD2 2.94Å; C172-H176 VanDerWaalsContact O-CD2 3.26Å; C172-H176 PolarHBondContact O-N 3.45Å; C172-M219 VanDerWaalsContact SG-CE 3.51Å
173	D	97.6	Very high	97.5	Very high	89 Å²	89	61.5 Å²	61.5	48%	0.476	32%	0.322	S	S	.	.	H	α-helix	trans	-57.4	-43.3	-177.6	-57.7	-20.5	0	0	0	110.8	Q169 S177	Q169-D173 PolarHBondContact NE2-OD1 2.91Å; Q169-D173 PolarHBondContact O-N 3.5Å; D173-S177 WeakPolarHBondContact O-CB 3.46Å; D173-S177 PolarHBondContact O-N 2.67Å; D173-S177 VanDerWaalsContact O-N 3.08Å; D173-S177 PolarHBondContact O-OG 2.76Å
174	Y	98	Very high	97.4	Very high	53 Å²	53	61.1 Å²	61.1	21%	0.208	32%	0.32	C	S	.	.	H	α-helix	trans	-70.8	-35.6	174.7	-178	-104.8	0	0	0	113.1	K117 F127 N170 S171 C172 S177 R178 W223	K117-Y174 HydrophobicContact CB-CE2 4.38Å; K117-Y174 VanDerWaalsContact CD-OH 3.28Å; K117-Y174 WeakPolarHBondContact CD-OH 3.39Å; K117-Y174 VanDerWaalsContact CE-OH 3.24Å; K117-Y174 WeakPolarHBondContact CE-OH 3.39Å; K117-Y174 HydrophobicContact CG-CE1 4.31Å; K117-Y174 HydrophobicContact CG-CE2 4.45Å; F127-Y174 HydrophobicContact CB-CD1 4.17Å; F127-Y174 HydrophobicContact CB-CE1 3.89Å; F127-Y174 AromaticContact CD1-CD1 3.34Å; F127-Y174 HydrophobicContact CD1-CD1 3.34Å; F127-Y174 AromaticContact CD1-CE1 3.96Å; F127-Y174 HydrophobicContact CD1-CE1 3.96Å; F127-Y174 HydrophobicContact CD1-CG 4.23Å; F127-Y174 AromaticContact CD2-CD1 3.32Å; F127-Y174 HydrophobicContact CD2-CD1 3.32Å; F127-Y174 AromaticContact CD2-CE1 3.3Å; F127-Y174 HydrophobicContact CD2-CE1 3.3Å; F127-Y174 HydrophobicContact CD2-CG 4.07Å; F127-Y174 AromaticContact CE1-CD1 3.36Å; F127-Y174 HydrophobicContact CE1-CD1 3.36Å; F127-Y174 HydrophobicContact CE1-CE1 4.31Å; F127-Y174 AromaticContact CE1-CG 3.78Å; F127-Y174 HydrophobicContact CE1-CG 3.78Å; F127-Y174 AromaticContact CE2-CD1 3.34Å; F127-Y174 HydrophobicContact CE2-CD1 3.34Å; F127-Y174 HydrophobicContact CE2-CD2 4.15Å; F127-Y174 AromaticContact CE2-CE1 3.72Å; F127-Y174 HydrophobicContact CE2-CE1 3.72Å; F127-Y174 HydrophobicContact CE2-CE2 4.48Å; F127-Y174 AromaticContact CE2-CG 3.59Å; F127-Y174 HydrophobicContact CE2-CG 3.59Å; F127-Y174 AromaticContact CG-CD1 3.31Å; F127-Y174 HydrophobicContact CG-CD1 3.31Å; F127-Y174 AromaticContact CG-CE1 3.43Å; F127-Y174 HydrophobicContact CG-CE1 3.43Å; F127-Y174 VanDerWaalsContact CG-CE1 3.43Å; F127-Y174 HydrophobicContact CG-CG 4.35Å; F127-Y174 AromaticContact CZ-CD1 3.36Å; F127-Y174 HydrophobicContact CZ-CD1 3.36Å; F127-Y174 HydrophobicContact CZ-CD2 4.31Å; F127-Y174 HydrophobicContact CZ-CE1 4.21Å; F127-Y174 AromaticContact CZ-CG 3.43Å; F127-Y174 HydrophobicContact CZ-CG 3.43Å; F127-Y174 VanDerWaalsContact CZ-CG 3.43Å; N170-Y174 WeakPolarHBondContact O-CB 3.42Å; N170-Y174 PolarHBondContact O-N 3.42Å; S171-Y174 PolarHBondContact O-N 3.43Å; C172-Y174 VanDerWaalsContact C-N 3.26Å; C172-Y174 PolarHBondContact O-N 3.49Å; Y174-S177 PolarHBondContact O-OG 3.09Å; Y174-R178 HydrophobicContact CE1-CG 4.18Å; Y174-R178 HydrophobicContact CE2-CG 4.47Å; Y174-R178 WeakPolarHBondContact O-CG 3.11Å; Y174-W223 AromaticContact CD1-CH2 3.66Å; Y174-W223 HydrophobicContact CD1-CH2 3.66Å; Y174-W223 HydrophobicContact CD1-CZ3 4.42Å; Y174-W223 AromaticContact CE1-CH2 3.96Å; Y174-W223 HydrophobicContact CE1-CH2 3.96Å; Y174-W223 HydrophobicContact CE1-CZ2 4.46Å
175	F	98.2	Very high	97.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-51.7	175.4	-174.4	-92.8	0	0	0	111	S171 C172 S177 R178 Q183 A186 V187 V217 M219 W223	S171-F175 WeakPolarHBondContact O-CB 3.24Å; S171-F175 PolarHBondContact O-N 3.05Å; C172-F175 WeakPolarHBondContact O-CA 3.36Å; C172-F175 WeakPolarHBondContact O-CB 3.28Å; C172-F175 PolarHBondContact O-N 3.19Å; F175-S177 VanDerWaalsContact C-N 3.32Å; F175-S177 PolarHBondContact O-N 3.38Å; F175-R178 WeakPolarHBondContact O-CB 3.34Å; F175-R178 PolarHBondContact O-N 2.67Å; F175-R178 VanDerWaalsContact O-N 3.15Å; F175-Q183 HydrophobicContact CD1-CB 4.43Å; F175-Q183 HydrophobicContact CD1-CG 4.11Å; F175-Q183 HydrophobicContact CE1-CB 3.66Å; F175-Q183 HydrophobicContact CE1-CG 3.82Å; F175-Q183 HydrophobicContact CE2-CB 4.4Å; F175-Q183 HydrophobicContact CZ-CB 3.64Å; F175-Q183 HydrophobicContact CZ-CG 4.17Å; F175-Q183 WeakPolarHBondContact O-CG 3.46Å; F175-A186 HydrophobicContact CE2-CB 4.04Å; F175-V187 HydrophobicContact CZ-CG2 4.44Å; F175-V217 HydrophobicContact CE1-CB 4.23Å; F175-V217 HydrophobicContact CE1-CG1 4.12Å; F175-V217 WeakPolarHBondContact CE1-O 3.38Å; F175-V217 HydrophobicContact CZ-CG1 4.06Å; F175-M219 HydrophobicContact CB-CB 4.13Å; F175-M219 HydrophobicContact CB-CG 3.92Å; F175-M219 HydrophobicContact CB-SD 3.81Å; F175-M219 HydrophobicContact CD1-CB 3.78Å; F175-M219 HydrophobicContact CD1-CG 4.26Å; F175-M219 HydrophobicContact CD2-CB 4.13Å; F175-M219 HydrophobicContact CD2-CG 3.7Å; F175-M219 HydrophobicContact CD2-SD 4.5Å; F175-M219 HydrophobicContact CE1-CB 4.17Å; F175-M219 HydrophobicContact CE2-CB 4.47Å; F175-M219 HydrophobicContact CE2-CG 4.23Å; F175-M219 HydrophobicContact CG-CB 3.75Å; F175-M219 HydrophobicContact CG-CG 3.7Å; F175-M219 HydrophobicContact CG-SD 4.28Å; F175-M219 HydrophobicContact CZ-CB 4.5Å; F175-W223 HydrophobicContact CB-CE3 4.22Å; F175-W223 HydrophobicContact CB-CH2 4.08Å; F175-W223 HydrophobicContact CB-CZ3 3.62Å; F175-W223 AromaticContact CD2-CD2 3.86Å; F175-W223 HydrophobicContact CD2-CD2 3.86Å; F175-W223 AromaticContact CD2-CE3 3.62Å; F175-W223 HydrophobicContact CD2-CE3 3.62Å; F175-W223 AromaticContact CD2-CH2 3.91Å; F175-W223 HydrophobicContact CD2-CH2 3.91Å; F175-W223 HydrophobicContact CD2-CZ2 4.17Å; F175-W223 AromaticContact CD2-CZ3 3.67Å; F175-W223 HydrophobicContact CD2-CZ3 3.67Å; F175-W223 HydrophobicContact CE2-CD2 4.36Å; F175-W223 HydrophobicContact CE2-CE3 4.5Å; F175-W223 HydrophobicContact CG-CE3 4.37Å; F175-W223 HydrophobicContact CG-CH2 4.49Å; F175-W223 HydrophobicContact CG-CZ3 4.14Å
176	H	97.9	Very high	97	Very high	83 Å²	83	53.7 Å²	53.7	38%	0.384	30%	0.3	S	S	.	.	H	α-helix	trans	-71.1	-23.8	-176.8	-73.6	-96.1	0	0	0	112.9	C172 R178 Q183 V217	C172-H176 PolarHBondContact O-CD2 2.94Å; C172-H176 VanDerWaalsContact O-CD2 3.26Å; C172-H176 PolarHBondContact O-N 3.45Å; H176-R178 VanDerWaalsContact C-N 3.29Å; H176-R178 PolarHBondContact O-N 3.45Å; H176-Q183 PolarHBondContact O-NE2 2.94Å; H176-Q183 VanDerWaalsContact O-NE2 3.15Å; H176-V217 PolarHBondContact CE1-O 2.83Å; H176-V217 VanDerWaalsContact CE1-O 3.29Å
177	S	97.1	Very high	96.8	Very high	85 Å²	85	54.5 Å²	54.5	59%	0.594	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.9	171.1	73.4	0	0	0	0	114.9	D173 Y174 F175	D173-S177 WeakPolarHBondContact O-CB 3.46Å; D173-S177 PolarHBondContact O-N 2.67Å; D173-S177 VanDerWaalsContact O-N 3.08Å; D173-S177 PolarHBondContact O-OG 2.76Å; Y174-S177 PolarHBondContact O-OG 3.09Å; F175-S177 VanDerWaalsContact C-N 3.32Å; F175-S177 PolarHBondContact O-N 3.38Å
178	R	96.8	Very high	96.5	Very high	44 Å²	44	52 Å²	52	17%	0.166	29%	0.289	C	S	.	.	S	Bend	trans	-78.7	152.3	177.4	-66.9	161.8	72	-133.1	-8.2	111	Y174 F175 H176 S182 Q183 W223	Y174-R178 HydrophobicContact CE1-CG 4.18Å; Y174-R178 HydrophobicContact CE2-CG 4.47Å; Y174-R178 WeakPolarHBondContact O-CG 3.11Å; F175-R178 WeakPolarHBondContact O-CB 3.34Å; F175-R178 PolarHBondContact O-N 2.67Å; F175-R178 VanDerWaalsContact O-N 3.15Å; H176-R178 VanDerWaalsContact C-N 3.29Å; H176-R178 PolarHBondContact O-N 3.45Å; R178-S182 VanDerWaalsContact CZ-O 3.28Å; R178-S182 PolarHBondContact NH1-O 3.15Å; R178-S182 PolarHBondContact NH2-O 2.92Å; R178-S182 PolarHBondContact NH2-OG 2.84Å; R178-Q183 HydrophobicContact CB-CG 4.32Å; R178-Q183 PolarHBondContact O-NE2 2.91Å; R178-W223 VanDerWaalsContact NH1-CZ2 3.32Å
179	P	97	Very high	96.1	Very high	99 Å²	99	47.5 Å²	47.5	64%	0.643	28%	0.278	S	S	*	.			trans	-53.3	143.6	171.7	-25.7	34.3	0	0	0	112.2	G181 S182 Q183	P179-G181 VanDerWaalsContact C-N 3.33Å; P179-G181 PolarHBondContact O-N 3.01Å; P179-S182 VanDerWaalsContact O-CA 3.31Å; P179-S182 WeakPolarHBondContact O-CA 3.43Å; P179-S182 WeakPolarHBondContact O-CB 3.26Å; P179-S182 PolarHBondContact O-N 2.77Å; P179-Q183 PolarHBondContact O-N 2.97Å; P179-Q183 VanDerWaalsContact O-N 3.11Å
180	K	96.3	Very high	95.8	Very high	81 Å²	81	48.4 Å²	48.4	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-54.9	-41.9	-172.6	-161	166.8	-169.7	170.3	0	113.8	S182 Q183 I184 Y212 K213 T215 V217	K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 2.72Å; K180-Q183 WeakPolarHBondContact O-CB 3.28Å; K180-Q183 PolarHBondContact O-N 2.85Å; K180-Q183 VanDerWaalsContact O-N 3.09Å; K180-I184 HydrophobicContact CG-CD1 4.24Å; K180-I184 WeakPolarHBondContact O-CG1 3.3Å; K180-I184 PolarHBondContact O-N 2.82Å; K180-Y212 WeakPolarHBondContact CE-O 3.3Å; K180-Y212 PolarHBondContact NZ-O 3.25Å; K180-K213 PolarHBondContact NZ-O 2.92Å; K180-T215 VanDerWaalsContact CE-O 3.28Å; K180-T215 WeakPolarHBondContact CE-O 3.43Å; K180-T215 PolarHBondContact NZ-O 2.98Å; K180-V217 HydrophobicContact CG-CG2 4.22Å
181	G	96.3	Very high	95.6	Very high	43 Å²	43	48.1 Å²	48.1	44%	0.443	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-29	173.4	0	0	0	0	0	114.2	P179 G185	P179-G181 VanDerWaalsContact C-N 3.33Å; P179-G181 PolarHBondContact O-N 3.01Å; G181-G185 PolarHBondContact O-N 3.34Å
182	S	96.1	Very high	95.4	Very high	54 Å²	54	52.2 Å²	52.2	38%	0.378	30%	0.301	S	S	.	.	H	α-helix	trans	-72.7	-34.9	172.2	-110.3	0	0	0	0	112.5	R178 P179 K180 A186	R178-S182 VanDerWaalsContact CZ-O 3.28Å; R178-S182 PolarHBondContact NH1-O 3.15Å; R178-S182 PolarHBondContact NH2-O 2.92Å; R178-S182 PolarHBondContact NH2-OG 2.84Å; P179-S182 VanDerWaalsContact O-CA 3.31Å; P179-S182 WeakPolarHBondContact O-CA 3.43Å; P179-S182 WeakPolarHBondContact O-CB 3.26Å; P179-S182 PolarHBondContact O-N 2.77Å; K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 2.72Å; S182-A186 PolarHBondContact O-N 3.01Å
183	Q	97.8	Very high	95.2	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-53.2	171.4	-60.3	175.6	17.3	0	0	109.6	F175 H176 R178 P179 K180 G185 A186 V187 V217	F175-Q183 HydrophobicContact CD1-CB 4.43Å; F175-Q183 HydrophobicContact CD1-CG 4.11Å; F175-Q183 HydrophobicContact CE1-CB 3.66Å; F175-Q183 HydrophobicContact CE1-CG 3.82Å; F175-Q183 HydrophobicContact CE2-CB 4.4Å; F175-Q183 HydrophobicContact CZ-CB 3.64Å; F175-Q183 HydrophobicContact CZ-CG 4.17Å; F175-Q183 WeakPolarHBondContact O-CG 3.46Å; H176-Q183 PolarHBondContact O-NE2 2.94Å; H176-Q183 VanDerWaalsContact O-NE2 3.15Å; R178-Q183 HydrophobicContact CB-CG 4.32Å; R178-Q183 PolarHBondContact O-NE2 2.91Å; P179-Q183 PolarHBondContact O-N 2.97Å; P179-Q183 VanDerWaalsContact O-N 3.11Å; K180-Q183 WeakPolarHBondContact O-CB 3.28Å; K180-Q183 PolarHBondContact O-N 2.85Å; K180-Q183 VanDerWaalsContact O-N 3.09Å; Q183-G185 PolarHBondContact O-N 2.84Å; Q183-A186 WeakPolarHBondContact O-CB 3.28Å; Q183-A186 PolarHBondContact O-N 2.9Å; Q183-V187 PolarHBondContact O-N 2.94Å; Q183-V217 HydrophobicContact CB-CB 3.96Å; Q183-V217 HydrophobicContact CB-CG1 4.09Å; Q183-V217 HydrophobicContact CB-CG2 4.08Å
184	I	96.6	Very high	95.2	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-55.9	-48.9	178.2	-66.2	164	0	0	0	111.3	K180 A186 V187 V188 L208 E209 V217	K180-I184 HydrophobicContact CG-CD1 4.24Å; K180-I184 WeakPolarHBondContact O-CG1 3.3Å; K180-I184 PolarHBondContact O-N 2.82Å; I184-A186 PolarHBondContact O-N 3.05Å; I184-A186 VanDerWaalsContact O-N 3.1Å; I184-V187 WeakPolarHBondContact O-CA 3.41Å; I184-V187 WeakPolarHBondContact O-CB 3.4Å; I184-V187 PolarHBondContact O-N 3.41Å; I184-V188 HydrophobicContact CG2-CG2 3.94Å; I184-V188 WeakPolarHBondContact O-CG2 3.36Å; I184-V188 PolarHBondContact O-N 3.08Å; I184-L208 HydrophobicContact CG2-CB 3.77Å; I184-E209 HydrophobicContact CD1-CB 4.46Å; I184-E209 HydrophobicContact CD1-CG 3.77Å; I184-E209 HydrophobicContact CG2-CG 4.32Å; I184-V217 HydrophobicContact CG1-CG2 3.77Å
185	G	95.2	Very high	95.1	Very high	30 Å²	30	57.1 Å²	57.1	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-25.6	178.5	0	0	0	0	0	114.5	G181 Q183 S189	G181-G185 PolarHBondContact O-N 3.34Å; Q183-G185 PolarHBondContact O-N 2.84Å; G185-S189 WeakPolarHBondContact O-CB 2.99Å; G185-S189 PolarHBondContact O-N 2.9Å
186	A	94.1	Very high	95	Very high	12 Å²	12	61.9 Å²	61.9	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-78.5	-25.5	172.8	0	0	0	0	0	113.3	F175 S182 Q183 I184	F175-A186 HydrophobicContact CE2-CB 4.04Å; S182-A186 PolarHBondContact O-N 3.01Å; Q183-A186 WeakPolarHBondContact O-CB 3.28Å; Q183-A186 PolarHBondContact O-N 2.9Å; I184-A186 PolarHBondContact O-N 3.05Å; I184-A186 VanDerWaalsContact O-N 3.1Å
187	V	93.5	Very high	94.9	Very high	29 Å²	29	62 Å²	62	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-79.9	-39.4	171.7	-171.3	0	0	0	0	111.4	F175 Q183 I184 S189 L208 V217 P220 Y222	F175-V187 HydrophobicContact CZ-CG2 4.44Å; Q183-V187 PolarHBondContact O-N 2.94Å; I184-V187 WeakPolarHBondContact O-CA 3.41Å; I184-V187 WeakPolarHBondContact O-CB 3.4Å; I184-V187 PolarHBondContact O-N 3.41Å; V187-S189 VanDerWaalsContact C-N 3.28Å; V187-S189 PolarHBondContact O-N 3.45Å; V187-L208 HydrophobicContact CB-CD1 3.97Å; V187-L208 HydrophobicContact CG1-CD1 3.69Å; V187-V217 HydrophobicContact CG2-CG1 3.51Å; V187-P220 HydrophobicContact CB-CG 4.43Å; V187-P220 HydrophobicContact CG2-CG 3.88Å; V187-Y222 PolarHBondContact O-OH 3.26Å
188	V	91.1	Very high	94.9	Very high	27 Å²	27	66.4 Å²	66.4	16%	0.164	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-38.2	177.8	174	0	0	0	0	111.7	I184 L201 K204 N205 L208	I184-V188 HydrophobicContact CG2-CG2 3.94Å; I184-V188 WeakPolarHBondContact O-CG2 3.36Å; I184-V188 PolarHBondContact O-N 3.08Å; V188-L201 HydrophobicContact CG1-CD2 4.15Å; V188-K204 HydrophobicContact CG1-CB 4.03Å; V188-N205 HydrophobicContact CG2-CB 4Å; V188-L208 HydrophobicContact CG2-CD1 3.84Å
189	S	87.2	Confident	94.9	Very high	44 Å²	44	68.5 Å²	68.5	31%	0.308	40%	0.395	S	S	.	.			trans	-108.1	102.2	-168.5	-166.9	0	0	0	0	112.7	N129 G185 V187 Q191	N129-S189 PolarHBondContact ND2-O 2.86Å; G185-S189 WeakPolarHBondContact O-CB 2.99Å; G185-S189 PolarHBondContact O-N 2.9Å; V187-S189 VanDerWaalsContact C-N 3.28Å; V187-S189 PolarHBondContact O-N 3.45Å; S189-Q191 VanDerWaalsContact C-N 3.27Å; S189-Q191 PolarHBondContact O-N 3.22Å
190	R	91.3	Very high	94.9	Very high	128 Å²	128	68.4 Å²	68.4	48%	0.483	38%	0.382	S	S	.	.			trans	-64.9	94.6	152.1	-74.6	-168.1	-179.2	-108.2	6.2	107.7	E131 S192 T193	E131-R190 IonicContact OE1-NH1 3.29Å; E131-R190 PolarHBondContact OE1-NH1 2.91Å; E131-R190 IonicContact OE2-CZ 3.99Å; E131-R190 IonicContact OE2-NH1 3.63Å; E131-R190 PolarHBondContact OE2-NH1 3.36Å; R190-S192 PolarHBondContact O-N 3.33Å; R190-T193 HydrophobicContact CB-CG2 3.89Å; R190-T193 PolarHBondContact O-N 3.41Å; R190-T193 PolarHBondContact O-OG1 3.21Å
191	Q	94	Very high	94.9	Very high	72 Å²	72	67.3 Å²	67.3	34%	0.336	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	133.5	-164.8	-176	175.5	96.2	0	0	110.6	T128 N129 S132 S189 T193	T128-Q191 PolarHBondContact OG1-OE1 3.31Å; N129-Q191 HydrophobicContact CB-CB 3.74Å; N129-Q191 PolarHBondContact ND2-N 2.99Å; S132-Q191 WeakPolarHBondContact CA-O 3.34Å; S189-Q191 VanDerWaalsContact C-N 3.27Å; S189-Q191 PolarHBondContact O-N 3.22Å; Q191-T193 VanDerWaalsContact C-N 3.32Å; Q191-T193 PolarHBondContact O-N 3.19Å
192	S	93.3	Very high	95	Very high	86 Å²	86	72.1 Å²	72.1	60%	0.601	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	5.2	-176.8	-49.5	0	0	0	0	116.5	R190	R190-S192 PolarHBondContact O-N 3.33Å
193	T	94.7	Very high	95	Very high	67 Å²	67	75.1 Å²	75.1	41%	0.411	39%	0.393	S	S	.	.	S	Bend	trans	-82.7	146.3	167.2	65.3	0	0	0	0	111.5	R190 Q191	R190-T193 HydrophobicContact CB-CG2 3.89Å; R190-T193 PolarHBondContact O-N 3.41Å; R190-T193 PolarHBondContact O-OG1 3.21Å; Q191-T193 VanDerWaalsContact C-N 3.32Å; Q191-T193 PolarHBondContact O-N 3.19Å
194	P	96	Very high	94.9	Very high	130 Å²	130	77.5 Å²	77.5	84%	0.844	40%	0.403	S	S	*	.			trans	-58.2	143.4	172.5	-23.9	34.5	0	0	0	112.9
195	V	96.4	Very high	94.9	Very high	64 Å²	64	79.2 Å²	79.2	39%	0.388	41%	0.412	S	S	.	.			trans	-134.4	151.2	172.1	-64.9	0	0	0	0	108.9	N197 Y200 L201	V195-N197 PolarHBondContact O-N 3.47Å; V195-Y200 HydrophobicContact CB-CD1 4.02Å; V195-Y200 HydrophobicContact CB-CE1 4.42Å; V195-Y200 HydrophobicContact CG1-CD1 4.04Å; V195-Y200 HydrophobicContact CG1-CE1 4.01Å; V195-L201 HydrophobicContact CG1-CD2 4.24Å; V195-L201 HydrophobicContact CG2-CD1 4.25Å; V195-L201 HydrophobicContact CG2-CG 4.33Å
196	P	96.1	Very high	95	Very high	100 Å²	100	80.3 Å²	80.3	65%	0.649	42%	0.418	S	S	*	.	S	Bend	trans	-67.6	-35.5	-171.9	25.2	-34.6	0	0	0	113.5	Y200	P196-Y200 HydrophobicContact CG-CD2 4.02Å; P196-Y200 HydrophobicContact CG-CG 3.9Å
197	N	97.1	Very high	95.2	Very high	84 Å²	84	83.4 Å²	83.4	45%	0.449	43%	0.431	S	S	.	.			trans	-167.6	-178.9	178.9	55.1	50.9	0	0	0	111.1	V195 D199 Y200	V195-N197 PolarHBondContact O-N 3.47Å; N197-D199 PolarHBondContact OD1-N 2.79Å; N197-Y200 PolarHBondContact OD1-N 3Å
198	R	96.2	Very high	95.3	Very high	178 Å²	178	83.5 Å²	83.5	67%	0.672	43%	0.43	S	S	*	.	H	α-helix	trans	-69.3	-29.8	176.1	172.9	174.6	-91.3	-95.8	5.8	113.3	L201 R202	R198-L201 PolarHBondContact O-N 3.38Å; R198-R202 PolarHBondContact O-N 2.95Å; R198-R202 VanDerWaalsContact O-N 3.13Å
199	D	97.7	Very high	95.6	Very high	89 Å²	89	86.5 Å²	86.5	48%	0.476	44%	0.442	S	S	.	.	H	α-helix	trans	-73.7	-31.3	-175.9	-62.1	-43.3	0	0	0	112.3	N197 L201 R202 Q203	N197-D199 PolarHBondContact OD1-N 2.79Å; D199-L201 VanDerWaalsContact C-N 3.3Å; D199-L201 PolarHBondContact O-N 3.33Å; D199-R202 PolarHBondContact O-N 3.2Å; D199-R202 VanDerWaalsContact OD1-CD 3.27Å; D199-R202 WeakPolarHBondContact OD1-CD 3.48Å; D199-R202 IonicContact OD1-CZ 3.66Å; D199-R202 IonicContact OD1-NE 3Å; D199-R202 IonicContact OD1-NH1 2.6Å; D199-R202 PolarHBondContact OD1-NH1 3.11Å; D199-Q203 WeakPolarHBondContact O-CB 3.47Å; D199-Q203 PolarHBondContact O-N 2.89Å
200	Y	96.3	Very high	96.1	Very high	97 Å²	97	90.2 Å²	90.2	38%	0.38	46%	0.455	S	S	.	.	H	α-helix	trans	-53.2	-45.4	166.4	175.7	-93.1	0	0	0	112.3	V195 P196 N197 K204	V195-Y200 HydrophobicContact CB-CD1 4.02Å; V195-Y200 HydrophobicContact CB-CE1 4.42Å; V195-Y200 HydrophobicContact CG1-CD1 4.04Å; V195-Y200 HydrophobicContact CG1-CE1 4.01Å; P196-Y200 HydrophobicContact CG-CD2 4.02Å; P196-Y200 HydrophobicContact CG-CG 3.9Å; N197-Y200 PolarHBondContact OD1-N 3Å; Y200-K204 HydrophobicContact CE1-CG 4.21Å; Y200-K204 HydrophobicContact CE2-CG 4.34Å; Y200-K204 WeakPolarHBondContact O-CB 3.23Å; Y200-K204 VanDerWaalsContact O-CG 3.29Å; Y200-K204 WeakPolarHBondContact O-CG 3.45Å; Y200-K204 PolarHBondContact O-N 3.16Å
201	L	96.6	Very high	96.4	Very high	58 Å²	58	90.2 Å²	90.2	30%	0.304	46%	0.458	S	S	.	.	H	α-helix	trans	-68.2	-39.9	177.4	-66.4	173.9	0	0	0	112	V188 V195 R198 D199 N205	V188-L201 HydrophobicContact CG1-CD2 4.15Å; V195-L201 HydrophobicContact CG1-CD2 4.24Å; V195-L201 HydrophobicContact CG2-CD1 4.25Å; V195-L201 HydrophobicContact CG2-CG 4.33Å; R198-L201 PolarHBondContact O-N 3.38Å; D199-L201 VanDerWaalsContact C-N 3.3Å; D199-L201 PolarHBondContact O-N 3.33Å; L201-N205 VanDerWaalsContact O-CB 3.3Å; L201-N205 WeakPolarHBondContact O-CB 3.01Å; L201-N205 PolarHBondContact O-N 3.36Å
202	R	96.9	Very high	96.6	Very high	144 Å²	144	87.9 Å²	87.9	54%	0.543	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-46.9	175.8	-73	166.2	161.7	159	-8	111.5	R198 D199 N205 A206	R198-R202 PolarHBondContact O-N 2.95Å; R198-R202 VanDerWaalsContact O-N 3.13Å; D199-R202 PolarHBondContact O-N 3.2Å; D199-R202 VanDerWaalsContact OD1-CD 3.27Å; D199-R202 WeakPolarHBondContact OD1-CD 3.48Å; D199-R202 IonicContact OD1-CZ 3.66Å; D199-R202 IonicContact OD1-NE 3Å; D199-R202 IonicContact OD1-NH1 2.6Å; D199-R202 PolarHBondContact OD1-NH1 3.11Å; R202-N205 PolarHBondContact O-N 3.07Å; R202-A206 PolarHBondContact O-N 2.92Å
203	Q	97.1	Very high	96.7	Very high	117 Å²	117	88.8 Å²	88.8	55%	0.547	44%	0.44	S	S	.	.	H	α-helix	trans	-61.7	-49.6	178.1	-174.9	-174.3	-17.2	0	0	110.9	D199 N205 A206 E207	D199-Q203 WeakPolarHBondContact O-CB 3.47Å; D199-Q203 PolarHBondContact O-N 2.89Å; Q203-N205 VanDerWaalsContact C-N 3.26Å; Q203-N205 PolarHBondContact O-N 3.48Å; Q203-A206 PolarHBondContact O-N 2.76Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.38Å; Q203-E207 PolarHBondContact NE2-OE1 3.08Å; Q203-E207 WeakPolarHBondContact O-CG 3.21Å; Q203-E207 PolarHBondContact O-N 3.13Å
204	K	96.1	Very high	96.7	Very high	65 Å²	65	92.6 Å²	92.6	28%	0.283	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-32.3	178.2	-69.5	-71.3	157.9	-137.6	0	112.8	V188 Y200 E207 L208	V188-K204 HydrophobicContact CG1-CB 4.03Å; Y200-K204 HydrophobicContact CE1-CG 4.21Å; Y200-K204 HydrophobicContact CE2-CG 4.34Å; Y200-K204 WeakPolarHBondContact O-CB 3.23Å; Y200-K204 VanDerWaalsContact O-CG 3.29Å; Y200-K204 WeakPolarHBondContact O-CG 3.45Å; Y200-K204 PolarHBondContact O-N 3.16Å; K204-E207 WeakPolarHBondContact CD-OE2 3.37Å; K204-E207 IonicContact NZ-OE1 3.77Å; K204-E207 PolarHBondContact NZ-OE1 3.17Å; K204-E207 IonicContact NZ-OE2 2.72Å; K204-E207 PolarHBondContact NZ-OE2 2.95Å; K204-L208 WeakPolarHBondContact O-CG 3.47Å; K204-L208 PolarHBondContact O-N 3.19Å
205	N	97	Very high	96.7	Very high	42 Å²	42	90 Å²	90	23%	0.225	44%	0.439	C	S	.	.	H	α-helix	trans	-65.9	-50.3	172.7	-168.4	89.5	0	0	0	111.7	V188 L201 R202 Q203 E207 L208 E209	V188-N205 HydrophobicContact CG2-CB 4Å; L201-N205 VanDerWaalsContact O-CB 3.3Å; L201-N205 WeakPolarHBondContact O-CB 3.01Å; L201-N205 PolarHBondContact O-N 3.36Å; R202-N205 PolarHBondContact O-N 3.07Å; Q203-N205 VanDerWaalsContact C-N 3.26Å; Q203-N205 PolarHBondContact O-N 3.48Å; N205-E207 PolarHBondContact O-N 3.04Å; N205-L208 PolarHBondContact O-N 3.31Å; N205-L208 VanDerWaalsContact O-N 3.13Å; N205-E209 PolarHBondContact ND2-OE1 2.88Å; N205-E209 PolarHBondContact ND2-OE2 2.97Å; N205-E209 WeakPolarHBondContact O-CG 3.42Å; N205-E209 PolarHBondContact O-N 3.38Å
206	A	97.3	Very high	96.7	Very high	53 Å²	53	93 Å²	93	44%	0.438	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-40.2	178.5	0	0	0	0	0	112.9	R202 Q203 L208 E209 E210	R202-A206 PolarHBondContact O-N 2.92Å; Q203-A206 PolarHBondContact O-N 2.76Å; A206-L208 VanDerWaalsContact C-N 3.29Å; A206-L208 PolarHBondContact O-N 2.93Å; A206-E209 PolarHBondContact O-N 2.84Å; A206-E210 PolarHBondContact O-N 3.17Å; A206-E210 VanDerWaalsContact O-N 3.11Å
207	E	97.3	Very high	96.8	Very high	78 Å²	78	88.3 Å²	88.3	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-58	-40.2	173.4	-74.1	172.8	-160.5	0	0	112.1	Q203 K204 N205 K211	Q203-E207 WeakPolarHBondContact CG-OE1 3.38Å; Q203-E207 PolarHBondContact NE2-OE1 3.08Å; Q203-E207 WeakPolarHBondContact O-CG 3.21Å; Q203-E207 PolarHBondContact O-N 3.13Å; K204-E207 WeakPolarHBondContact CD-OE2 3.37Å; K204-E207 IonicContact NZ-OE1 3.77Å; K204-E207 PolarHBondContact NZ-OE1 3.17Å; K204-E207 IonicContact NZ-OE2 2.72Å; K204-E207 PolarHBondContact NZ-OE2 2.95Å; N205-E207 PolarHBondContact O-N 3.04Å; E207-K211 VanDerWaalsContact O-CB 3.29Å; E207-K211 WeakPolarHBondContact O-CB 3.28Å; E207-K211 PolarHBondContact O-N 3.23Å; E207-K211 VanDerWaalsContact O-N 3.13Å
208	L	96.8	Very high	96.7	Very high	31 Å²	31	87.7 Å²	87.7	16%	0.162	42%	0.423	C	S	.	.	H	α-helix	trans	-83	-27.4	179.5	-66.9	-173.5	0	0	0	113.5	I184 V187 V188 K204 N205 A206 K211 Y212	I184-L208 HydrophobicContact CG2-CB 3.77Å; V187-L208 HydrophobicContact CB-CD1 3.97Å; V187-L208 HydrophobicContact CG1-CD1 3.69Å; V188-L208 HydrophobicContact CG2-CD1 3.84Å; K204-L208 WeakPolarHBondContact O-CG 3.47Å; K204-L208 PolarHBondContact O-N 3.19Å; N205-L208 PolarHBondContact O-N 3.31Å; N205-L208 VanDerWaalsContact O-N 3.13Å; A206-L208 VanDerWaalsContact C-N 3.29Å; A206-L208 PolarHBondContact O-N 2.93Å; L208-K211 HydrophobicContact CD2-CD 3.9Å; L208-Y212 HydrophobicContact CB-CD2 4.22Å; L208-Y212 HydrophobicContact CB-CE2 4.42Å; L208-Y212 HydrophobicContact CD2-CD2 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 3.94Å; L208-Y212 WeakPolarHBondContact O-CB 3.38Å; L208-Y212 VanDerWaalsContact O-CD2 3.31Å; L208-Y212 WeakPolarHBondContact O-CD2 3.5Å; L208-Y212 PolarHBondContact O-N 2.99Å
209	E	97.4	Very high	96.8	Very high	90 Å²	90	79.8 Å²	79.8	42%	0.421	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-45.1	170.7	-79.3	170.8	159.8	0	0	111.7	I184 N205 A206 K213	I184-E209 HydrophobicContact CD1-CB 4.46Å; I184-E209 HydrophobicContact CD1-CG 3.77Å; I184-E209 HydrophobicContact CG2-CG 4.32Å; N205-E209 PolarHBondContact ND2-OE1 2.88Å; N205-E209 PolarHBondContact ND2-OE2 2.97Å; N205-E209 WeakPolarHBondContact O-CG 3.42Å; N205-E209 PolarHBondContact O-N 3.38Å; A206-E209 PolarHBondContact O-N 2.84Å; E209-K213 WeakPolarHBondContact O-CA 3.49Å; E209-K213 PolarHBondContact O-N 3.03Å
210	E	97.6	Very high	96.7	Very high	122 Å²	122	76.3 Å²	76.3	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-71.7	-42.5	175.1	-170.2	62.2	-162.1	0	0	111.2	A206 Y212 K213	A206-E210 PolarHBondContact O-N 3.17Å; A206-E210 VanDerWaalsContact O-N 3.11Å; E210-Y212 VanDerWaalsContact C-N 3.32Å; E210-Y212 PolarHBondContact O-N 3.06Å; E210-K213 VanDerWaalsContact CD-NZ 3.33Å; E210-K213 VanDerWaalsContact O-CB 3.32Å; E210-K213 WeakPolarHBondContact O-CB 3.4Å; E210-K213 PolarHBondContact O-N 2.86Å; E210-K213 IonicContact OE1-NZ 2.8Å; E210-K213 PolarHBondContact OE1-NZ 2.79Å; E210-K213 IonicContact OE2-NZ 3.82Å; E210-K213 PolarHBondContact OE2-NZ 3.01Å
211	K	97.1	Very high	96.6	Very high	128 Å²	128	78.2 Å²	78.2	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-56.3	-44.1	177.3	-175.3	-168.2	177.3	-164.8	0	112.7	E207 L208 T215	E207-K211 VanDerWaalsContact O-CB 3.29Å; E207-K211 WeakPolarHBondContact O-CB 3.28Å; E207-K211 PolarHBondContact O-N 3.23Å; E207-K211 VanDerWaalsContact O-N 3.13Å; L208-K211 HydrophobicContact CD2-CD 3.9Å; K211-T215 PolarHBondContact O-OG1 2.71Å
212	Y	97.3	Very high	96.6	Very high	22 Å²	22	77.5 Å²	77.5	9%	0.086	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13.7	-177.1	-62.6	-59.5	0	0	0	113.5	K180 L208 E210 D214 T215 V217 P218	K180-Y212 WeakPolarHBondContact CE-O 3.3Å; K180-Y212 PolarHBondContact NZ-O 3.25Å; L208-Y212 HydrophobicContact CB-CD2 4.22Å; L208-Y212 HydrophobicContact CB-CE2 4.42Å; L208-Y212 HydrophobicContact CD2-CD2 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 3.94Å; L208-Y212 WeakPolarHBondContact O-CB 3.38Å; L208-Y212 VanDerWaalsContact O-CD2 3.31Å; L208-Y212 WeakPolarHBondContact O-CD2 3.5Å; L208-Y212 PolarHBondContact O-N 2.99Å; E210-Y212 VanDerWaalsContact C-N 3.32Å; E210-Y212 PolarHBondContact O-N 3.06Å; Y212-D214 PolarHBondContact O-N 2.85Å; Y212-T215 WeakPolarHBondContact CA-OG1 3.28Å; Y212-T215 PolarHBondContact O-N 2.95Å; Y212-V217 HydrophobicContact CD2-CG1 4.22Å; Y212-V217 HydrophobicContact CD2-CG2 4.17Å; Y212-V217 HydrophobicContact CE2-CG1 4.26Å; Y212-V217 HydrophobicContact CG-CG2 4Å; Y212-P218 HydrophobicContact CE1-CG 4.42Å
213	K	95.1	Very high	96.7	Very high	106 Å²	106	71.4 Å²	71.4	46%	0.461	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-57.4	-176.9	-174	-173.5	-159.3	150.1	0	112.8	K180 E209 E210	K180-K213 PolarHBondContact NZ-O 2.92Å; E209-K213 WeakPolarHBondContact O-CA 3.49Å; E209-K213 PolarHBondContact O-N 3.03Å; E210-K213 VanDerWaalsContact CD-NZ 3.33Å; E210-K213 VanDerWaalsContact O-CB 3.32Å; E210-K213 WeakPolarHBondContact O-CB 3.4Å; E210-K213 PolarHBondContact O-N 2.86Å; E210-K213 IonicContact OE1-NZ 2.8Å; E210-K213 PolarHBondContact OE1-NZ 2.79Å; E210-K213 IonicContact OE2-NZ 3.82Å; E210-K213 PolarHBondContact OE2-NZ 3.01Å
214	D	96.1	Very high	96.7	Very high	146 Å²	146	65.9 Å²	65.9	78%	0.781	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	12.1	-175.8	-53.3	-56.1	0	0	0	113.3	Y212	Y212-D214 PolarHBondContact O-N 2.85Å
215	T	96.5	Very high	96.8	Very high	76 Å²	76	62.8 Å²	62.8	47%	0.466	32%	0.324	S	S	.	.	S	Bend	trans	-127.5	164.1	178.2	55.4	0	0	0	0	111.8	K180 K211 Y212	K180-T215 VanDerWaalsContact CE-O 3.28Å; K180-T215 WeakPolarHBondContact CE-O 3.43Å; K180-T215 PolarHBondContact NZ-O 2.98Å; K211-T215 PolarHBondContact O-OG1 2.71Å; Y212-T215 WeakPolarHBondContact CA-OG1 3.28Å; Y212-T215 PolarHBondContact O-N 2.95Å
216	D	95.4	Very high	96.9	Very high	128 Å²	128	61 Å²	61	68%	0.684	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-74.7	144.7	174	-71.9	-39.5	0	0	0	111.6	P218	D216-P218 WeakPolarHBondContact O-CD 3.43Å
217	V	97.4	Very high	97	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-82.6	119.9	172.5	-172.1	0	0	0	0	107.3	F175 H176 K180 Q183 I184 V187 Y212	F175-V217 HydrophobicContact CE1-CB 4.23Å; F175-V217 HydrophobicContact CE1-CG1 4.12Å; F175-V217 WeakPolarHBondContact CE1-O 3.38Å; F175-V217 HydrophobicContact CZ-CG1 4.06Å; H176-V217 PolarHBondContact CE1-O 2.83Å; H176-V217 VanDerWaalsContact CE1-O 3.29Å; K180-V217 HydrophobicContact CG-CG2 4.22Å; Q183-V217 HydrophobicContact CB-CB 3.96Å; Q183-V217 HydrophobicContact CB-CG1 4.09Å; Q183-V217 HydrophobicContact CB-CG2 4.08Å; I184-V217 HydrophobicContact CG1-CG2 3.77Å; V187-V217 HydrophobicContact CG2-CG1 3.51Å; Y212-V217 HydrophobicContact CD2-CG1 4.22Å; Y212-V217 HydrophobicContact CD2-CG2 4.17Å; Y212-V217 HydrophobicContact CE2-CG1 4.26Å; Y212-V217 HydrophobicContact CG-CG2 4Å
218	P	96.3	Very high	97.1	Very high	71 Å²	71	55.1 Å²	55.1	46%	0.461	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-69.5	137.7	173.5	28.7	-33.4	0	0	0	109.9	Y212 D216 P220	Y212-P218 HydrophobicContact CE1-CG 4.42Å; D216-P218 WeakPolarHBondContact O-CD 3.43Å; P218-P220 WeakPolarHBondContact O-CD 3.38Å
219	M	97.3	Very high	97.2	Very high	13 Å²	13	57.3 Å²	57.3	6%	0.064	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.5	126.4	168.8	-173.1	179.8	79.9	0	0	109.5	Y168 C172 F175 W223	Y168-M219 HydrophobicContact CD2-CE 3.75Å; Y168-M219 HydrophobicContact CE2-CE 3.25Å; C172-M219 VanDerWaalsContact SG-CE 3.51Å; F175-M219 HydrophobicContact CB-CB 4.13Å; F175-M219 HydrophobicContact CB-CG 3.92Å; F175-M219 HydrophobicContact CB-SD 3.81Å; F175-M219 HydrophobicContact CD1-CB 3.78Å; F175-M219 HydrophobicContact CD1-CG 4.26Å; F175-M219 HydrophobicContact CD2-CB 4.13Å; F175-M219 HydrophobicContact CD2-CG 3.7Å; F175-M219 HydrophobicContact CD2-SD 4.5Å; F175-M219 HydrophobicContact CE1-CB 4.17Å; F175-M219 HydrophobicContact CE2-CB 4.47Å; F175-M219 HydrophobicContact CE2-CG 4.23Å; F175-M219 HydrophobicContact CG-CB 3.75Å; F175-M219 HydrophobicContact CG-CG 3.7Å; F175-M219 HydrophobicContact CG-SD 4.28Å; F175-M219 HydrophobicContact CZ-CB 4.5Å; M219-W223 HydrophobicContact CG-CE3 3.85Å; M219-W223 HydrophobicContact SD-CE3 3.61Å; M219-W223 HydrophobicContact SD-CZ3 3.95Å
220	P	95.8	Very high	97.2	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.104	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-70.6	143.1	175.1	-19.1	32.4	0	0	0	112.4	V187 P218 Y222 W223	V187-P220 HydrophobicContact CB-CG 4.43Å; V187-P220 HydrophobicContact CG2-CG 3.88Å; P218-P220 WeakPolarHBondContact O-CD 3.38Å; P220-Y222 HydrophobicContact CB-CD1 3.98Å; P220-Y222 HydrophobicContact CB-CD2 3.78Å; P220-Y222 HydrophobicContact CB-CE1 3.65Å; P220-Y222 HydrophobicContact CB-CE2 3.45Å; P220-Y222 VanDerWaalsContact CB-CE2 3.45Å; P220-Y222 HydrophobicContact CB-CG 4.05Å; P220-Y222 HydrophobicContact CG-CE2 3.86Å; P220-Y222 PolarHBondContact O-N 3.48Å; P220-W223 HydrophobicContact CB-CB 4.49Å; P220-W223 WeakPolarHBondContact O-CB 3.45Å; P220-W223 PolarHBondContact O-N 3.46Å
221	D	95.3	Very high	97.2	Very high	136 Å²	136	51.8 Å²	51.8	73%	0.727	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.3	177.7	-54	-30.8	0	0	0	113.7	W223	D221-W223 VanDerWaalsContact C-N 3.26Å; D221-W223 PolarHBondContact O-N 3.4Å
222	Y	95.4	Very high	97.3	Very high	43 Å²	43	46.3 Å²	46.3	17%	0.169	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	9.3	175.3	55.7	-108.2	0	0	0	113.8	N129 Y130 V187 P220	N129-Y222 CarbonylContact C-O 3.6Å; N129-Y222 VanDerWaalsContact CA-O 3.24Å; N129-Y222 WeakPolarHBondContact CA-O 3.47Å; N129-Y222 WeakPolarHBondContact ND2-CD2 3.34Å; N129-Y222 PolarHBondContact OD1-O 3.28Å; Y130-Y222 PolarHBondContact N-O 3.04Å; V187-Y222 PolarHBondContact O-OH 3.26Å; P220-Y222 HydrophobicContact CB-CD1 3.98Å; P220-Y222 HydrophobicContact CB-CD2 3.78Å; P220-Y222 HydrophobicContact CB-CE1 3.65Å; P220-Y222 HydrophobicContact CB-CE2 3.45Å; P220-Y222 VanDerWaalsContact CB-CE2 3.45Å; P220-Y222 HydrophobicContact CB-CG 4.05Å; P220-Y222 HydrophobicContact CG-CE2 3.86Å; P220-Y222 PolarHBondContact O-N 3.48Å
223	W	98.3	Very high	97.3	Very high	17 Å²	17	45.3 Å²	45.3	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141	-179.5	-167.5	97.5	0	0	0	111.7	F127 Y174 F175 R178 M219 P220 D221	F127-W223 HydrophobicContact CB-CH2 4.01Å; F127-W223 HydrophobicContact CB-CZ2 3.9Å; F127-W223 AromaticContact CD1-CH2 3.76Å; F127-W223 HydrophobicContact CD1-CH2 3.76Å; F127-W223 HydrophobicContact CD1-CZ2 4.47Å; F127-W223 AromaticContact CD1-CZ3 3.88Å; F127-W223 HydrophobicContact CD1-CZ3 3.88Å; F127-W223 HydrophobicContact CG-CH2 4.14Å; Y174-W223 AromaticContact CD1-CH2 3.66Å; Y174-W223 HydrophobicContact CD1-CH2 3.66Å; Y174-W223 HydrophobicContact CD1-CZ3 4.42Å; Y174-W223 AromaticContact CE1-CH2 3.96Å; Y174-W223 HydrophobicContact CE1-CH2 3.96Å; Y174-W223 HydrophobicContact CE1-CZ2 4.46Å; F175-W223 HydrophobicContact CB-CE3 4.22Å; F175-W223 HydrophobicContact CB-CH2 4.08Å; F175-W223 HydrophobicContact CB-CZ3 3.62Å; F175-W223 AromaticContact CD2-CD2 3.86Å; F175-W223 HydrophobicContact CD2-CD2 3.86Å; F175-W223 AromaticContact CD2-CE3 3.62Å; F175-W223 HydrophobicContact CD2-CE3 3.62Å; F175-W223 AromaticContact CD2-CH2 3.91Å; F175-W223 HydrophobicContact CD2-CH2 3.91Å; F175-W223 HydrophobicContact CD2-CZ2 4.17Å; F175-W223 AromaticContact CD2-CZ3 3.67Å; F175-W223 HydrophobicContact CD2-CZ3 3.67Å; F175-W223 HydrophobicContact CE2-CD2 4.36Å; F175-W223 HydrophobicContact CE2-CE3 4.5Å; F175-W223 HydrophobicContact CG-CE3 4.37Å; F175-W223 HydrophobicContact CG-CH2 4.49Å; F175-W223 HydrophobicContact CG-CZ3 4.14Å; R178-W223 VanDerWaalsContact NH1-CZ2 3.32Å; M219-W223 HydrophobicContact CG-CE3 3.85Å; M219-W223 HydrophobicContact SD-CE3 3.61Å; M219-W223 HydrophobicContact SD-CZ3 3.95Å; P220-W223 HydrophobicContact CB-CB 4.49Å; P220-W223 WeakPolarHBondContact O-CB 3.45Å; P220-W223 PolarHBondContact O-N 3.46Å; D221-W223 VanDerWaalsContact C-N 3.26Å; D221-W223 PolarHBondContact O-N 3.4Å
224	G	98.4	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-165.3	171.9	0	0	0	0	0	113.9	F127 T128 Y130	F127-G224 WeakPolarHBondContact CA-O 3.22Å; T128-G224 PolarHBondContact N-O 3.19Å; T128-G224 PolarHBondContact O-N 2.84Å; T128-G224 VanDerWaalsContact O-O 3.13Å; Y130-G224 VanDerWaalsContact OH-CA 3.3Å; Y130-G224 WeakPolarHBondContact OH-CA 3.39Å
225	G	98.4	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	150.9	-175.2	0	0	0	0	0	114.6	F126 Y130 R165 I166 S171	F126-G225 CarbonylContact O-C 3.5Å; F126-G225 WeakPolarHBondContact O-CA 3.39Å; Y130-G225 PolarHBondContact OH-N 3.1Å; Y130-G225 PolarHBondContact OH-O 3.39Å; R165-G225 WeakPolarHBondContact CA-O 3.33Å; I166-G225 PolarHBondContact N-O 2.77Å; S171-G225 PolarHBondContact OG-N 3.34Å
226	Y	98.9	Very high	97.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.7	163.7	-71	-76	0	0	0	110.2	R125 F126 T128 Y130 L138 E139 V163 E164 R165	R125-Y226 WeakPolarHBondContact CA-O 3.44Å; F126-Y226 AromaticContact CE2-CD2 3.88Å; F126-Y226 HydrophobicContact CE2-CD2 3.88Å; F126-Y226 HydrophobicContact CE2-CG 4.49Å; F126-Y226 AromaticContact CZ-CD2 3.82Å; F126-Y226 HydrophobicContact CZ-CD2 3.82Å; F126-Y226 HydrophobicContact CZ-CG 4.04Å; F126-Y226 PolarHBondContact N-O 2.89Å; F126-Y226 VanDerWaalsContact N-O 3.09Å; F126-Y226 PolarHBondContact O-N 2.78Å; T128-Y226 HydrophobicContact CG2-CD2 3.87Å; T128-Y226 HydrophobicContact CG2-CE2 3.65Å; Y130-Y226 HydrophobicContact CD1-CD2 4.48Å; Y130-Y226 HydrophobicContact CD1-CE1 4.4Å; Y130-Y226 AromaticContact CD1-CE2 3.6Å; Y130-Y226 HydrophobicContact CD1-CE2 3.6Å; Y130-Y226 AromaticContact CD1-CZ 3.54Å; Y130-Y226 WeakPolarHBondContact CD1-OH 3.19Å; Y130-Y226 HydrophobicContact CE1-CD2 4.24Å; Y130-Y226 HydrophobicContact CE1-CE1 4.24Å; Y130-Y226 AromaticContact CE1-CE2 3.76Å; Y130-Y226 HydrophobicContact CE1-CE2 3.76Å; Y130-Y226 AromaticContact CE1-CZ 3.76Å; L138-Y226 HydrophobicContact CB-CE1 4.28Å; L138-Y226 HydrophobicContact CD1-CD1 4.5Å; L138-Y226 HydrophobicContact CD1-CD2 3.92Å; L138-Y226 HydrophobicContact CD1-CE1 4.45Å; L138-Y226 HydrophobicContact CD1-CE2 3.84Å; L138-Y226 HydrophobicContact CD1-CG 4.25Å; E139-Y226 VanDerWaalsContact OE1-CE1 3.31Å; E139-Y226 WeakPolarHBondContact OE1-CE1 3.38Å; E139-Y226 PolarHBondContact OE1-OH 2.75Å; V163-Y226 HydrophobicContact CG1-CD1 3.75Å; V163-Y226 HydrophobicContact CG1-CG 4Å; E164-Y226 CarbonylContact O-C 3.56Å; E164-Y226 VanDerWaalsContact O-CA 3.25Å; E164-Y226 WeakPolarHBondContact O-CA 3.45Å; R165-Y226 HydrophobicContact CG-CD1 3.99Å; R165-Y226 HydrophobicContact CG-CE1 3.6Å
227	M	98.8	Very high	97.8	Very high	9 Å²	9	26 Å²	26	4%	0.044	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.4	168.8	-176.8	88.6	78.8	0	0	108.7	E122 R125 V163 E164 I166 K229	E122-M227 HydrophobicContact CB-CE 3.81Å; E122-M227 HydrophobicContact CB-SD 4.34Å; E122-M227 WeakPolarHBondContact OE2-CE 3.46Å; R125-M227 HydrophobicContact CG-CB 4.48Å; R125-M227 HydrophobicContact CG-CE 3.84Å; R125-M227 HydrophobicContact CG-SD 3.38Å; R125-M227 WeakPolarHBondContact CG-SD 3.28Å; V163-M227 WeakPolarHBondContact CA-O 3.3Å; E164-M227 HydrophobicContact CG-CB 4.04Å; E164-M227 PolarHBondContact N-O 3.26Å; E164-M227 PolarHBondContact O-N 2.95Å; I166-M227 HydrophobicContact CG2-CB 4.03Å; M227-K229 HydrophobicContact CG-CG 4.29Å
228	V	98.8	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.7	166.9	-173.3	0	0	0	0	108.7	G123 F124 F126 A144 L146 S162 V163 P230	G123-V228 CarbonylContact C-O 3.59Å; G123-V228 WeakPolarHBondContact CA-O 3.48Å; F124-V228 HydrophobicContact CB-CB 4.45Å; F124-V228 PolarHBondContact N-O 2.9Å; F124-V228 PolarHBondContact O-N 2.8Å; F126-V228 HydrophobicContact CD1-CG2 4.34Å; F126-V228 HydrophobicContact CE1-CG2 3.83Å; A144-V228 HydrophobicContact CB-CG2 4.41Å; L146-V228 HydrophobicContact CD1-CB 4.12Å; L146-V228 HydrophobicContact CD1-CG1 4.41Å; L146-V228 HydrophobicContact CD1-CG2 3.99Å; L146-V228 HydrophobicContact CD2-CG2 4.13Å; L146-V228 HydrophobicContact CG-CG2 4.24Å; S162-V228 CarbonylContact O-C 3.41Å; S162-V228 WeakPolarHBondContact O-CA 3.38Å; V163-V228 HydrophobicContact CG2-CG1 4.43Å; V163-V228 HydrophobicContact CG2-CG2 4.09Å; V228-P230 WeakPolarHBondContact O-CD 3.48Å
229	K	98.6	Very high	97.4	Very high	77 Å²	77	22.8 Å²	22.8	34%	0.335	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	107.4	177.6	-68.2	-169	157.5	161.7	0	109.4	E122 G161 S162 E164 M227	E122-K229 WeakPolarHBondContact O-CG 3.43Å; G161-K229 CarbonylContact C-O 3.53Å; G161-K229 WeakPolarHBondContact CA-O 3.23Å; S162-K229 PolarHBondContact N-O 2.79Å; S162-K229 PolarHBondContact O-N 2.88Å; E164-K229 WeakPolarHBondContact OE1-CE 3.49Å; E164-K229 IonicContact OE1-NZ 2.94Å; E164-K229 PolarHBondContact OE1-NZ 2.98Å; E164-K229 WeakPolarHBondContact OE2-CE 3.48Å; E164-K229 IonicContact OE2-NZ 2.8Å; E164-K229 PolarHBondContact OE2-NZ 2.89Å; M227-K229 HydrophobicContact CG-CG 4.29Å
230	P	98.3	Very high	96.9	Very high	14 Å²	14	25 Å²	25	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.7	-169.4	30.8	-37.5	0	0	0	112.1	I76 F124 I159 E160 V228 I233 W269	I76-P230 HydrophobicContact CD1-CG 4.22Å; F124-P230 HydrophobicContact CD2-CG 4.46Å; F124-P230 HydrophobicContact CE2-CB 4.34Å; F124-P230 HydrophobicContact CE2-CG 4.1Å; I159-P230 HydrophobicContact CG2-CB 3.81Å; E160-P230 WeakPolarHBondContact O-CA 3.31Å; V228-P230 WeakPolarHBondContact O-CD 3.48Å; P230-I233 HydrophobicContact CB-CD1 3.87Å; P230-I233 HydrophobicContact CB-CG1 3.95Å; P230-I233 HydrophobicContact CG-CD1 4.22Å; P230-W269 HydrophobicContact CB-CH2 4.01Å; P230-W269 HydrophobicContact CB-CZ2 4.31Å; P230-W269 HydrophobicContact CG-CH2 4.33Å; P230-W269 HydrophobicContact CG-CZ2 4.11Å; P230-W269 WeakPolarHBondContact O-CH2 3.21Å
231	H	97.6	Very high	96.4	Very high	82 Å²	82	27.5 Å²	27.5	38%	0.38	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-17.1	164.3	64.7	65.8	0	0	0	112.6	E160 T250 K251 W269	E160-H231 PolarHBondContact O-N 3.34Å; H231-T250 WeakPolarHBondContact O-CA 3.16Å; H231-K251 PolarHBondContact O-N 2.89Å; H231-W269 WeakPolarHBondContact O-CZ3 3.25Å
232	A	98.6	Very high	96	Very high	13 Å²	13	28.5 Å²	28.5	11%	0.107	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.5	169.6	0	0	0	0	0	111.3	I159 E160 F249 T250	I159-A232 WeakPolarHBondContact CA-O 3.48Å; E160-A232 HydrophobicContact CB-CB 4.33Å; E160-A232 PolarHBondContact N-O 2.76Å; E160-A232 PolarHBondContact O-N 3.19Å; E160-A232 VanDerWaalsContact O-N 3.15Å; A232-F249 CarbonylContact C-O 3.42Å; A232-F249 VanDerWaalsContact CA-O 3.23Å; A232-F249 WeakPolarHBondContact CA-O 3.4Å; A232-T250 HydrophobicContact CB-CG2 4.08Å
233	I	98.9	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.9	173.5	-57.1	-175.6	0	0	0	108.4	P75 I76 F124 I157 R158 I159 P230 F235 F249 W269	P75-I233 HydrophobicContact CB-CB 4.19Å; P75-I233 HydrophobicContact CB-CD1 4Å; P75-I233 HydrophobicContact CB-CG2 4.5Å; P75-I233 HydrophobicContact CG-CD1 4.31Å; I76-I233 HydrophobicContact CG1-CD1 4.3Å; F124-I233 HydrophobicContact CE2-CD1 4.09Å; F124-I233 HydrophobicContact CZ-CD1 4.29Å; I157-I233 HydrophobicContact CG2-CG2 3.94Å; R158-I233 CarbonylContact O-C 3.58Å; R158-I233 VanDerWaalsContact O-CA 3.3Å; R158-I233 WeakPolarHBondContact O-CA 3.33Å; I159-I233 HydrophobicContact CG1-CD1 4.49Å; I159-I233 HydrophobicContact CG1-CG1 4.16Å; I159-I233 HydrophobicContact CG1-CG2 4.15Å; I159-I233 HydrophobicContact CG2-CG1 4.21Å; P230-I233 HydrophobicContact CB-CD1 3.87Å; P230-I233 HydrophobicContact CB-CG1 3.95Å; P230-I233 HydrophobicContact CG-CD1 4.22Å; I233-F235 HydrophobicContact CB-CE2 4.45Å; I233-F235 HydrophobicContact CG2-CD2 4.34Å; I233-F235 HydrophobicContact CG2-CE1 4.44Å; I233-F235 HydrophobicContact CG2-CE2 3.6Å; I233-F235 HydrophobicContact CG2-CZ 3.65Å; I233-F249 PolarHBondContact N-O 3.38Å; I233-F249 PolarHBondContact O-N 3.23Å; I233-W269 HydrophobicContact CG1-CH2 4.3Å
234	E	98.9	Very high	95.7	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.5	176.5	-171	-173	142	0	0	110.5	I157 R158 R246 V248	I157-E234 VanDerWaalsContact CA-O 3.28Å; I157-E234 WeakPolarHBondContact CA-O 3.44Å; R158-E234 HydrophobicContact CB-CB 4.13Å; R158-E234 IonicContact CZ-OE2 3.74Å; R158-E234 PolarHBondContact N-O 3.07Å; R158-E234 IonicContact NE-OE2 2.68Å; R158-E234 IonicContact NH1-OE2 2.74Å; R158-E234 PolarHBondContact NH1-OE2 3.39Å; R158-E234 PolarHBondContact O-N 3.44Å; E234-R246 VanDerWaalsContact CD-NH2 3.25Å; E234-R246 IonicContact OE1-CZ 3.28Å; E234-R246 VanDerWaalsContact OE1-CZ 3.28Å; E234-R246 IonicContact OE1-NE 3.23Å; E234-R246 PolarHBondContact OE1-NE 3.19Å; E234-R246 IonicContact OE1-NH2 3.31Å; E234-R246 PolarHBondContact OE1-NH2 3.09Å; E234-R246 IonicContact OE2-CZ 2.74Å; E234-R246 IonicContact OE2-NH2 3.45Å; E234-R246 PolarHBondContact OE2-NH2 2.9Å; E234-V248 HydrophobicContact CB-CB 4.39Å; E234-V248 HydrophobicContact CB-CG2 4.14Å; E234-V248 HydrophobicContact CG-CB 4.29Å
235	F	98.8	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.1	170.9	-63	-84.6	0	0	0	109.3	F65 P75 Q78 F79 W82 I157 I233 R246 I247 F249	F65-F235 HydrophobicContact CE1-CB 3.95Å; P75-F235 HydrophobicContact CB-CE2 4.15Å; P75-F235 WeakPolarHBondContact O-CZ 3.46Å; Q78-F235 HydrophobicContact CB-CE1 4.24Å; Q78-F235 HydrophobicContact CB-CE2 4.18Å; Q78-F235 HydrophobicContact CB-CZ 3.75Å; Q78-F235 HydrophobicContact CG-CD1 4.12Å; Q78-F235 HydrophobicContact CG-CD2 4.27Å; Q78-F235 HydrophobicContact CG-CE1 3.7Å; Q78-F235 HydrophobicContact CG-CE2 3.86Å; Q78-F235 HydrophobicContact CG-CG 4.39Å; Q78-F235 HydrophobicContact CG-CZ 3.57Å; F79-F235 HydrophobicContact CB-CE1 4.47Å; F79-F235 HydrophobicContact CB-CZ 4.43Å; W82-F235 HydrophobicContact CD2-CD1 4.01Å; W82-F235 AromaticContact CE3-CD1 3.74Å; W82-F235 HydrophobicContact CE3-CD1 3.74Å; W82-F235 HydrophobicContact CH2-CB 3.88Å; W82-F235 HydrophobicContact CH2-CD1 4.44Å; W82-F235 HydrophobicContact CZ2-CB 4.39Å; W82-F235 HydrophobicContact CZ3-CB 3.98Å; W82-F235 AromaticContact CZ3-CD1 3.97Å; W82-F235 HydrophobicContact CZ3-CD1 3.97Å; I157-F235 HydrophobicContact CD1-CD1 4.05Å; I157-F235 HydrophobicContact CD1-CE1 3.79Å; I157-F235 HydrophobicContact CG1-CD1 4.01Å; I157-F235 HydrophobicContact CG1-CE1 4.19Å; I157-F235 HydrophobicContact CG2-CE1 4.34Å; I233-F235 HydrophobicContact CB-CE2 4.45Å; I233-F235 HydrophobicContact CG2-CD2 4.34Å; I233-F235 HydrophobicContact CG2-CE1 4.44Å; I233-F235 HydrophobicContact CG2-CE2 3.6Å; I233-F235 HydrophobicContact CG2-CZ 3.65Å; F235-R246 WeakPolarHBondContact O-CA 3.18Å; F235-I247 PolarHBondContact N-O 2.95Å; F235-I247 PolarHBondContact O-N 2.83Å; F235-F249 AromaticContact CD2-CD2 3.82Å; F235-F249 HydrophobicContact CD2-CD2 3.82Å; F235-F249 AromaticContact CD2-CE2 3.76Å; F235-F249 HydrophobicContact CD2-CE2 3.76Å; F235-F249 AromaticContact CE2-CD2 3.69Å; F235-F249 HydrophobicContact CE2-CD2 3.69Å; F235-F249 AromaticContact CE2-CE2 3.72Å; F235-F249 HydrophobicContact CE2-CE2 3.72Å
236	W	98.5	Very high	95.6	Very high	37 Å²	37	34.2 Å²	34.2	14%	0.14	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	-179	-179.5	105.4	0	0	0	110.6	Y58 W82 H154 R155 Q156 G238 H244 D245	Y58-W236 HydrophobicContact CE2-CH2 4.22Å; W82-W236 WeakPolarHBondContact CH2-O 3.22Å; W82-W236 WeakPolarHBondContact CZ3-O 3.43Å; H154-W236 VanDerWaalsContact O-CZ3 3.22Å; H154-W236 WeakPolarHBondContact O-CZ3 3.42Å; R155-W236 WeakPolarHBondContact CA-O 3.2Å; Q156-W236 HydrophobicContact CB-CB 4Å; Q156-W236 HydrophobicContact CB-CD2 4.37Å; Q156-W236 HydrophobicContact CB-CE3 4.04Å; Q156-W236 HydrophobicContact CB-CG 4.38Å; Q156-W236 HydrophobicContact CG-CB 4.43Å; Q156-W236 PolarHBondContact N-O 2.88Å; Q156-W236 PolarHBondContact O-N 3.34Å; W236-G238 VanDerWaalsContact CH2-CA 3.43Å; W236-G238 VanDerWaalsContact CZ3-CA 3.47Å; W236-H244 AromaticContact CE2-CG 3.85Å; W236-H244 AromaticContact CE2-ND1 3.73Å; W236-H244 AromaticContact CH2-CE1 3.86Å; W236-H244 AromaticContact CH2-ND1 3.7Å; W236-H244 HydrophobicContact CZ2-CB 4.15Å; W236-H244 AromaticContact CZ2-CE1 3.46Å; W236-H244 VanDerWaalsContact CZ2-CE1 3.46Å; W236-H244 WeakPolarHBondContact CZ2-CE1 3.44Å; W236-H244 AromaticContact CZ2-CG 3.55Å; W236-H244 AromaticContact CZ2-ND1 3.11Å; W236-H244 WeakPolarHBondContact CZ2-ND1 3.37Å; W236-H244 AromaticContact NE1-CG 3.85Å; W236-D245 VanDerWaalsContact CA-O 3.28Å; W236-D245 WeakPolarHBondContact CA-O 3.4Å
237	Q	97	Very high	95.6	Very high	4 Å²	4	34 Å²	34	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.2	172.8	177	65.7	70	0	0	110.7	F65 W82 L153 H154 Q239 D245	F65-Q237 HydrophobicContact CB-CB 3.76Å; F65-Q237 HydrophobicContact CB-CG 3.99Å; F65-Q237 HydrophobicContact CD1-CB 4.41Å; F65-Q237 HydrophobicContact CG-CB 4.34Å; W82-Q237 HydrophobicContact CH2-CB 4.33Å; L153-Q237 PolarHBondContact O-NE2 2.86Å; L153-Q237 VanDerWaalsContact O-NE2 3.16Å; H154-Q237 PolarHBondContact O-NE2 2.88Å; Q237-Q239 PolarHBondContact O-N 2.82Å; Q237-D245 HydrophobicContact CB-CB 4.16Å; Q237-D245 PolarHBondContact N-O 2.86Å; Q237-D245 PolarHBondContact O-N 3.02Å
238	G	94	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.			trans	-75.4	119.9	-178.5	0	0	0	0	0	112.6	Y58 R59 H154 W236	Y58-G238 VanDerWaalsContact CB-O 3.28Å; Y58-G238 WeakPolarHBondContact CB-O 3.49Å; R59-G238 PolarHBondContact N-O 3.15Å; H154-G238 PolarHBondContact O-N 3.26Å; W236-G238 VanDerWaalsContact CH2-CA 3.43Å; W236-G238 VanDerWaalsContact CZ3-CA 3.47Å
239	Q	91.3	Very high	95.6	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.014	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-111.9	145.4	174.3	-61.4	-58.6	-8.3	0	0	112.9	R55 R59 G60 E63 Q237 N241 R242 L243 H244 D245	R55-Q239 PolarHBondContact NH2-O 3.18Å; R55-Q239 VanDerWaalsContact NH2-O 3.09Å; R59-Q239 PolarHBondContact O-OE1 3.48Å; G60-Q239 PolarHBondContact O-OE1 3.19Å; G60-Q239 VanDerWaalsContact O-OE1 3.07Å; E63-Q239 PolarHBondContact O-NE2 2.68Å; Q237-Q239 PolarHBondContact O-N 2.82Å; Q239-N241 WeakPolarHBondContact CB-OD1 3.4Å; Q239-R242 PolarHBondContact O-N 3.36Å; Q239-L243 WeakPolarHBondContact CB-O 3.39Å; Q239-L243 WeakPolarHBondContact CG-O 3.39Å; Q239-H244 PolarHBondContact N-ND1 3.26Å; Q239-H244 PolarHBondContact O-CE1 2.72Å; Q239-D245 WeakPolarHBondContact CG-OD2 3.26Å; Q239-D245 PolarHBondContact NE2-OD2 2.91Å
240	T	86	Confident	95.6	Very high	59 Å²	59	32.5 Å²	32.5	36%	0.362	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.1	-177.2	-69.9	0	0	0	0	112.6	Y58 R59 R242	Y58-T240 PolarHBondContact N-OG1 3.47Å; Y58-T240 PolarHBondContact O-OG1 3.14Å; R59-T240 WeakPolarHBondContact O-CB 3.42Å; R59-T240 PolarHBondContact O-N 3.13Å; R59-T240 PolarHBondContact O-OG1 3.46Å; T240-R242 PolarHBondContact O-N 3.18Å
241	N	85.9	Confident	95.4	Very high	69 Å²	69	35.9 Å²	35.9	37%	0.369	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.2	177.7	63.9	4.7	0	0	0	113.9	D61 Q239 L243	D61-N241 PolarHBondContact OD1-ND2 3.49Å; Q239-N241 WeakPolarHBondContact CB-OD1 3.4Å; N241-L243 PolarHBondContact O-N 3.13Å; N241-L243 WeakPolarHBondContact OD1-CB 3.48Å; N241-L243 PolarHBondContact OD1-N 3.26Å
242	R	86.3	Confident	94.9	Very high	158 Å²	158	34.4 Å²	34.4	60%	0.596	17%	0.168	S	C	*	.	S	Bend	trans	73.1	2.3	-174.8	-46.6	170.4	-178.5	-94.6	-1	115.2	Q239 T240 H244	Q239-R242 PolarHBondContact O-N 3.36Å; T240-R242 PolarHBondContact O-N 3.18Å; R242-H244 PolarHBondContact O-CD2 2.97Å; R242-H244 PolarHBondContact O-N 2.78Å
243	L	92.4	Very high	94.2	Very high	112 Å²	112	41 Å²	41	59%	0.586	19%	0.194	S	C	*	.			trans	-80.9	71.8	168.8	-57.2	-178.5	0	0	0	108.5	Q239 N241	Q239-L243 WeakPolarHBondContact CB-O 3.39Å; Q239-L243 WeakPolarHBondContact CG-O 3.39Å; N241-L243 PolarHBondContact O-N 3.13Å; N241-L243 WeakPolarHBondContact OD1-CB 3.48Å; N241-L243 PolarHBondContact OD1-N 3.26Å
244	H	95.5	Very high	93.2	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.088	24%	0.238	C	C	.	.			trans	-65.1	131.8	-177.5	-65.5	-71.3	0	0	0	111.6	R55 Y58 W236 Q239 R242 P276	R55-H244 PolarHBondContact NH1-NE2 2.83Å; R55-H244 PolarHBondContact NH2-CE1 3.25Å; R55-H244 PolarHBondContact NH2-NE2 2.93Å; Y58-H244 AromaticContact CD2-CE1 3.86Å; Y58-H244 AromaticContact CE2-CE1 3.79Å; W236-H244 AromaticContact CE2-CG 3.85Å; W236-H244 AromaticContact CE2-ND1 3.73Å; W236-H244 AromaticContact CH2-CE1 3.86Å; W236-H244 AromaticContact CH2-ND1 3.7Å; W236-H244 HydrophobicContact CZ2-CB 4.15Å; W236-H244 AromaticContact CZ2-CE1 3.46Å; W236-H244 VanDerWaalsContact CZ2-CE1 3.46Å; W236-H244 WeakPolarHBondContact CZ2-CE1 3.44Å; W236-H244 AromaticContact CZ2-CG 3.55Å; W236-H244 AromaticContact CZ2-ND1 3.11Å; W236-H244 WeakPolarHBondContact CZ2-ND1 3.37Å; W236-H244 AromaticContact NE1-CG 3.85Å; Q239-H244 PolarHBondContact N-ND1 3.26Å; Q239-H244 PolarHBondContact O-CE1 2.72Å; R242-H244 PolarHBondContact O-CD2 2.97Å; R242-H244 PolarHBondContact O-N 2.78Å; H244-P276 HydrophobicContact CB-CB 3.82Å
245	D	97.2	Very high	92.1	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.3	175.3	-60.7	-63	0	0	0	110	C64 F65 W236 Q237 Q239 R273	C64-D245 PolarHBondContact SG-OD1 3.15Å; F65-D245 HydrophobicContact CB-CB 3.86Å; F65-D245 HydrophobicContact CD1-CB 4.35Å; F65-D245 VanDerWaalsContact N-CG 3.35Å; F65-D245 PolarHBondContact N-OD2 2.78Å; W236-D245 VanDerWaalsContact CA-O 3.28Å; W236-D245 WeakPolarHBondContact CA-O 3.4Å; Q237-D245 HydrophobicContact CB-CB 4.16Å; Q237-D245 PolarHBondContact N-O 2.86Å; Q237-D245 PolarHBondContact O-N 3.02Å; Q239-D245 WeakPolarHBondContact CG-OD2 3.26Å; Q239-D245 PolarHBondContact NE2-OD2 2.91Å; D245-R273 IonicContact OD1-CZ 3.37Å; D245-R273 IonicContact OD1-NH1 2.88Å; D245-R273 PolarHBondContact OD1-NH1 3.35Å; D245-R273 IonicContact OD1-NH2 2.63Å
246	R	98.4	Very high	91.4	Very high	41 Å²	41	58 Å²	58	16%	0.155	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	98.5	-177.3	-62.6	-176.6	66.1	-151.7	-3.2	109.3	E234 F235 R273 L274 S275	E234-R246 VanDerWaalsContact CD-NH2 3.25Å; E234-R246 IonicContact OE1-CZ 3.28Å; E234-R246 VanDerWaalsContact OE1-CZ 3.28Å; E234-R246 IonicContact OE1-NE 3.23Å; E234-R246 PolarHBondContact OE1-NE 3.19Å; E234-R246 IonicContact OE1-NH2 3.31Å; E234-R246 PolarHBondContact OE1-NH2 3.09Å; E234-R246 IonicContact OE2-CZ 2.74Å; E234-R246 IonicContact OE2-NH2 3.45Å; E234-R246 PolarHBondContact OE2-NH2 2.9Å; F235-R246 WeakPolarHBondContact O-CA 3.18Å; R246-R273 CarbonylContact O-C 3.53Å; R246-R273 WeakPolarHBondContact O-CA 3.45Å; R246-L274 HydrophobicContact CB-CB 3.96Å; R246-L274 PolarHBondContact O-N 3.28Å; R246-S275 WeakPolarHBondContact CD-O 3.46Å; R246-S275 PolarHBondContact NH1-O 3.11Å
247	I	98.7	Very high	90.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.1	173.3	-61.5	174.7	0	0	0	107.5	F65 E67 L70 F235 F249 Y271	F65-I247 HydrophobicContact CD1-CD1 4.17Å; F65-I247 HydrophobicContact CE1-CD1 3.9Å; F65-I247 HydrophobicContact CE1-CG1 4.47Å; F65-I247 HydrophobicContact CZ-CD1 4.46Å; E67-I247 HydrophobicContact CG-CD1 4.12Å; L70-I247 HydrophobicContact CD1-CD1 4.38Å; L70-I247 HydrophobicContact CD1-CG2 4.32Å; L70-I247 HydrophobicContact CD2-CD1 4.26Å; L70-I247 HydrophobicContact CD2-CG2 4.36Å; L70-I247 HydrophobicContact CG-CD1 4.23Å; F235-I247 PolarHBondContact N-O 2.95Å; F235-I247 PolarHBondContact O-N 2.83Å; I247-F249 HydrophobicContact CG2-CD2 4.31Å; I247-F249 HydrophobicContact CG2-CE2 3.85Å; I247-Y271 HydrophobicContact CG2-CD2 3.99Å
248	V	98.6	Very high	90.1	Very high	17 Å²	17	71.7 Å²	71.7	10%	0.103	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.7	177.9	69.8	0	0	0	0	110.4	E234 T250 Y271 Q272 L274	E234-V248 HydrophobicContact CB-CB 4.39Å; E234-V248 HydrophobicContact CB-CG2 4.14Å; E234-V248 HydrophobicContact CG-CB 4.29Å; V248-T250 HydrophobicContact CG2-CG2 4.26Å; V248-Y271 CarbonylContact O-C 3.56Å; V248-Y271 WeakPolarHBondContact O-CA 3.44Å; V248-Y271 WeakPolarHBondContact O-CB 3.38Å; V248-Q272 HydrophobicContact CG1-CG 3.6Å; V248-Q272 PolarHBondContact N-O 3Å; V248-Q272 PolarHBondContact O-N 3.12Å; V248-L274 HydrophobicContact CB-CD1 4.09Å; V248-L274 HydrophobicContact CB-CG 4.35Å; V248-L274 HydrophobicContact CG1-CD1 3.8Å; V248-L274 HydrophobicContact CG1-CD2 3.98Å; V248-L274 HydrophobicContact CG1-CG 3.72Å
249	F	98.6	Very high	89.9	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.5	169	-68.8	-107.1	0	0	0	109.2	L70 P75 A232 I233 F235 I247 A265 W269 V270 Y271	L70-F249 HydrophobicContact CD1-CZ 4Å; L70-F249 HydrophobicContact CD2-CE2 3.96Å; L70-F249 HydrophobicContact CD2-CZ 3.94Å; P75-F249 HydrophobicContact CB-CB 3.79Å; P75-F249 HydrophobicContact CB-CD1 3.76Å; P75-F249 HydrophobicContact CB-CD2 3.93Å; P75-F249 HydrophobicContact CB-CE1 4.27Å; P75-F249 HydrophobicContact CB-CE2 4.43Å; P75-F249 HydrophobicContact CB-CG 3.57Å; P75-F249 HydrophobicContact CG-CB 3.94Å; P75-F249 HydrophobicContact CG-CD1 3.88Å; P75-F249 HydrophobicContact CG-CG 4.01Å; A232-F249 CarbonylContact C-O 3.42Å; A232-F249 VanDerWaalsContact CA-O 3.23Å; A232-F249 WeakPolarHBondContact CA-O 3.4Å; I233-F249 PolarHBondContact N-O 3.38Å; I233-F249 PolarHBondContact O-N 3.23Å; F235-F249 AromaticContact CD2-CD2 3.82Å; F235-F249 HydrophobicContact CD2-CD2 3.82Å; F235-F249 AromaticContact CD2-CE2 3.76Å; F235-F249 HydrophobicContact CD2-CE2 3.76Å; F235-F249 AromaticContact CE2-CD2 3.69Å; F235-F249 HydrophobicContact CE2-CD2 3.69Å; F235-F249 AromaticContact CE2-CE2 3.72Å; F235-F249 HydrophobicContact CE2-CE2 3.72Å; I247-F249 HydrophobicContact CG2-CD2 4.31Å; I247-F249 HydrophobicContact CG2-CE2 3.85Å; F249-A265 HydrophobicContact CD1-CB 4Å; F249-A265 HydrophobicContact CE1-CB 3.92Å; F249-W269 HydrophobicContact CB-CE3 3.87Å; F249-W269 HydrophobicContact CB-CZ3 4.27Å; F249-V270 CarbonylContact C-O 3.57Å; F249-V270 VanDerWaalsContact CA-O 3.25Å; F249-V270 WeakPolarHBondContact CA-O 3.42Å; F249-Y271 HydrophobicContact CE1-CD1 4.19Å; F249-Y271 HydrophobicContact CE1-CG 4.21Å; F249-Y271 HydrophobicContact CZ-CG 4.37Å
250	T	97.8	Very high	89.9	Confident	38 Å²	38	81.6 Å²	81.6	23%	0.233	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.7	175.2	56.6	0	0	0	0	111.5	H231 A232 V248 W269 V270	H231-T250 WeakPolarHBondContact O-CA 3.16Å; A232-T250 HydrophobicContact CB-CG2 4.08Å; V248-T250 HydrophobicContact CG2-CG2 4.26Å; T250-W269 WeakPolarHBondContact O-CA 3.4Å; T250-V270 PolarHBondContact N-O 2.62Å; T250-V270 PolarHBondContact O-N 3.15Å; T250-V270 WeakPolarHBondContact OG1-CG2 3.36Å
251	K	94	Very high	90.4	Very high	85 Å²	85	85.4 Å²	85.4	37%	0.37	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.7	169.2	-77.7	-61.1	-162.3	-169.4	0	109.6	H231 G267 W269	H231-K251 PolarHBondContact O-N 2.89Å; K251-G267 PolarHBondContact NZ-O 3.19Å; K251-W269 HydrophobicContact CD-CD2 3.75Å; K251-W269 HydrophobicContact CD-CE3 4.17Å; K251-W269 HydrophobicContact CD-CG 4.14Å; K251-W269 HydrophobicContact CD-CH2 4.42Å; K251-W269 HydrophobicContact CD-CZ2 4.05Å; K251-W269 HydrophobicContact CD-CZ3 4.49Å; K251-W269 VanDerWaalsContact CE-CE2 3.4Å; K251-W269 HydrophobicContact CG-CD2 4.16Å; K251-W269 HydrophobicContact CG-CE3 4.11Å; K251-W269 HydrophobicContact CG-CH2 3.91Å; K251-W269 HydrophobicContact CG-CZ2 3.99Å; K251-W269 HydrophobicContact CG-CZ3 4Å; K251-W269 VanDerWaalsContact NZ-CD1 3.35Å
252	V	87.8	Confident	90.9	Very high	50 Å²	50	84.3 Å²	84.3	30%	0.303	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-75.8	138.2	171.1	-173	0	0	0	0	108.8	E256 V270	V252-E256 HydrophobicContact CG1-CB 4.05Å; V252-V270 HydrophobicContact CG2-CB 4.05Å; V252-V270 HydrophobicContact CG2-CG1 3.43Å; V252-V270 VanDerWaalsContact CG2-CG1 3.43Å; V252-V270 HydrophobicContact CG2-CG2 3.54Å
253	K	83.4	Confident	91.3	Very high	151 Å²	151	81.3 Å²	81.3	66%	0.657	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-83.6	149.7	171.3	-64.2	170.1	-175.9	163.3	0	110.7	G255 E256	K253-G255 PolarHBondContact O-N 3.45Å; K253-E256 HydrophobicContact CB-CB 4.23Å; K253-E256 WeakPolarHBondContact CB-OE2 3.16Å; K253-E256 PolarHBondContact N-OE2 3.41Å; K253-E256 VanDerWaalsContact O-CB 3.23Å; K253-E256 WeakPolarHBondContact O-CB 3.47Å; K253-E256 PolarHBondContact O-N 3.25Å
254	D	78.3	Confident	91.5	Very high	173 Å²	173	82.2 Å²	82.2	93%	0.925	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	124.5	177	-67.2	-35.7	0	0	0	111.4	E256	D254-E256 VanDerWaalsContact C-N 3.34Å
255	G	76.1	Confident	91.5	Very high	87 Å²	87	81.9 Å²	81.9	90%	0.897	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-3.6	-177.7	0	0	0	0	0	115.9	K253	K253-G255 PolarHBondContact O-N 3.45Å
256	E	83.6	Confident	91.5	Very high	108 Å²	108	85.2 Å²	85.2	51%	0.505	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-75.7	131.1	175.5	-167.9	162.5	-147.9	0	0	110.9	V252 K253 D254	V252-E256 HydrophobicContact CG1-CB 4.05Å; K253-E256 HydrophobicContact CB-CB 4.23Å; K253-E256 WeakPolarHBondContact CB-OE2 3.16Å; K253-E256 PolarHBondContact N-OE2 3.41Å; K253-E256 VanDerWaalsContact O-CB 3.23Å; K253-E256 WeakPolarHBondContact O-CB 3.47Å; K253-E256 PolarHBondContact O-N 3.25Å; D254-E256 VanDerWaalsContact C-N 3.34Å
257	K	82.3	Confident	91.1	Very high	196 Å²	196	86.5 Å²	86.5	85%	0.852	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-80.5	135.6	176.2	-70.6	-175.8	179.2	-179.5	0	109.7
258	R	86.4	Confident	90.9	Very high	133 Å²	133	89 Å²	89	50%	0.502	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-56.6	138.9	171.4	-65.2	-169.1	-70.4	-150.1	-0.2	111.1	Q262 E264 V270	R258-Q262 HydrophobicContact CB-CB 4.32Å; R258-E264 IonicContact CZ-OE2 2.67Å; R258-E264 IonicContact NH1-OE2 3.89Å; R258-E264 PolarHBondContact NH1-OE2 2.94Å; R258-E264 IonicContact NH2-OE2 2.76Å; R258-V270 HydrophobicContact CG-CG1 4.18Å
259	G	88.6	Confident	90.8	Very high	37 Å²	37	88.6 Å²	88.6	38%	0.381	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-69.4	164.1	170.9	0	0	0	0	0	112.7	F261 Q262	G259-F261 VanDerWaalsContact C-N 3.29Å; G259-F261 PolarHBondContact O-N 2.99Å; G259-Q262 PolarHBondContact O-N 2.88Å; G259-Q262 VanDerWaalsContact O-N 3.13Å
260	E	93.1	Very high	90.7	Very high	174 Å²	174	88.9 Å²	88.9	81%	0.813	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.3	-176.8	-175.1	177.3	-177.8	0	0	113.5
261	F	95.4	Very high	90.7	Very high	138 Å²	138	88.4 Å²	88.4	61%	0.605	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	19.1	-178.3	-48.3	-62.8	0	0	0	113.3	G259 Q272	G259-F261 VanDerWaalsContact C-N 3.29Å; G259-F261 PolarHBondContact O-N 2.99Å; F261-Q272 WeakPolarHBondContact O-CB 3.37Å
262	Q	95.9	Very high	90.9	Very high	47 Å²	47	86.7 Å²	86.7	22%	0.22	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-96.4	123.4	179.2	-74.8	-174.9	-20.1	0	0	112.1	R258 G259 V270 Q272	R258-Q262 HydrophobicContact CB-CB 4.32Å; G259-Q262 PolarHBondContact O-N 2.88Å; G259-Q262 VanDerWaalsContact O-N 3.13Å; Q262-V270 HydrophobicContact CB-CB 4.39Å; Q262-V270 HydrophobicContact CG-CG2 4.4Å; Q262-Q272 HydrophobicContact CG-CB 4.34Å; Q262-Q272 VanDerWaalsContact CG-OE1 3.24Å
263	H	96.3	Very high	91.4	Very high	95 Å²	95	88.5 Å²	88.5	44%	0.44	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	150.3	177	-57	-82.9	0	0	0	110.6	V270 Y271	H263-V270 CarbonylContact O-C 3.51Å; H263-V270 WeakPolarHBondContact O-CA 3.49Å; H263-V270 VanDerWaalsContact O-CB 3.26Å; H263-V270 WeakPolarHBondContact O-CB 3.45Å; H263-Y271 HydrophobicContact CB-CD1 3.9Å; H263-Y271 HydrophobicContact CB-CD2 4.26Å; H263-Y271 HydrophobicContact CB-CE1 3.45Å; H263-Y271 VanDerWaalsContact CB-CE1 3.45Å; H263-Y271 HydrophobicContact CB-CE2 3.83Å; H263-Y271 HydrophobicContact CB-CG 4.3Å; H263-Y271 VanDerWaalsContact CB-CZ 3.41Å; H263-Y271 PolarHBondContact N-O 3.46Å; H263-Y271 PolarHBondContact O-N 3.37Å
264	E	95.8	Very high	92.1	Very high	131 Å²	131	83.8 Å²	83.8	61%	0.612	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	139	178.8	-160	167.4	148.4	0	0	111.4	R258 Y271	R258-E264 IonicContact CZ-OE2 2.67Å; R258-E264 IonicContact NH1-OE2 3.89Å; R258-E264 PolarHBondContact NH1-OE2 2.94Å; R258-E264 IonicContact NH2-OE2 2.76Å; E264-Y271 WeakPolarHBondContact O-CE1 3.48Å
265	A	96.3	Very high	93	Very high	11 Å²	11	80 Å²	80	9%	0.091	44%	0.437	C	S	.	.			trans	-128.7	169.2	176.5	0	0	0	0	0	111.1	L73 F249 W269 Y271	L73-A265 HydrophobicContact CB-CB 4.31Å; L73-A265 WeakPolarHBondContact O-CB 3.22Å; F249-A265 HydrophobicContact CD1-CB 4Å; F249-A265 HydrophobicContact CE1-CB 3.92Å; A265-W269 CarbonylContact C-O 3.6Å; A265-W269 WeakPolarHBondContact CA-O 3.38Å; A265-W269 HydrophobicContact CB-CB 3.76Å; A265-W269 WeakPolarHBondContact CB-O 3.5Å; A265-W269 PolarHBondContact N-O 2.66Å; A265-Y271 HydrophobicContact CB-CD1 3.89Å
266	E	95.8	Very high	93.8	Very high	78 Å²	78	80.6 Å²	80.6	36%	0.364	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-62.8	151.6	-177.8	-69.4	174.4	-126.1	0	0	111.4	S72 L73 D74 K77 G268 W269	S72-E266 PolarHBondContact OG-OE1 2.98Å; S72-E266 VanDerWaalsContact OG-OE1 3.12Å; L73-E266 HydrophobicContact CB-CG 4.11Å; L73-E266 PolarHBondContact N-OE1 2.82Å; L73-E266 PolarHBondContact O-N 2.8Å; D74-E266 HydrophobicContact CB-CB 3.98Å; D74-E266 PolarHBondContact N-OE1 3.12Å; K77-E266 IonicContact NZ-OE2 2.62Å; K77-E266 PolarHBondContact NZ-OE2 3.18Å; E266-G268 PolarHBondContact O-N 2.63Å; E266-W269 WeakPolarHBondContact O-CB 3.42Å; E266-W269 PolarHBondContact O-N 2.91Å
267	G	91.4	Very high	94.3	Very high	67 Å²	67	79.3 Å²	79.3	69%	0.691	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	63	31.1	167.1	0	0	0	0	0	116.3	K251 W269	K251-G267 PolarHBondContact NZ-O 3.19Å; G267-W269 VanDerWaalsContact C-N 3.34Å
268	G	92.8	Very high	94.9	Very high	52 Å²	52	73.1 Å²	73.1	54%	0.536	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	75.7	21.6	178.9	0	0	0	0	0	114.1	E266	E266-G268 PolarHBondContact O-N 2.63Å
269	W	96.4	Very high	95.4	Very high	10 Å²	10	69.8 Å²	69.8	4%	0.038	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	154.6	167.2	-69.7	99.1	0	0	0	110.4	P75 P230 H231 I233 F249 T250 K251 A265 E266 G267	P75-W269 HydrophobicContact CG-CD2 3.57Å; P75-W269 HydrophobicContact CG-CE3 3.99Å; P75-W269 HydrophobicContact CG-CG 3.85Å; P75-W269 HydrophobicContact CG-CH2 4.44Å; P75-W269 HydrophobicContact CG-CZ2 4.03Å; P75-W269 HydrophobicContact CG-CZ3 4.4Å; P230-W269 HydrophobicContact CB-CH2 4.01Å; P230-W269 HydrophobicContact CB-CZ2 4.31Å; P230-W269 HydrophobicContact CG-CH2 4.33Å; P230-W269 HydrophobicContact CG-CZ2 4.11Å; P230-W269 WeakPolarHBondContact O-CH2 3.21Å; H231-W269 WeakPolarHBondContact O-CZ3 3.25Å; I233-W269 HydrophobicContact CG1-CH2 4.3Å; F249-W269 HydrophobicContact CB-CE3 3.87Å; F249-W269 HydrophobicContact CB-CZ3 4.27Å; T250-W269 WeakPolarHBondContact O-CA 3.4Å; K251-W269 HydrophobicContact CD-CD2 3.75Å; K251-W269 HydrophobicContact CD-CE3 4.17Å; K251-W269 HydrophobicContact CD-CG 4.14Å; K251-W269 HydrophobicContact CD-CH2 4.42Å; K251-W269 HydrophobicContact CD-CZ2 4.05Å; K251-W269 HydrophobicContact CD-CZ3 4.49Å; K251-W269 VanDerWaalsContact CE-CE2 3.4Å; K251-W269 HydrophobicContact CG-CD2 4.16Å; K251-W269 HydrophobicContact CG-CE3 4.11Å; K251-W269 HydrophobicContact CG-CH2 3.91Å; K251-W269 HydrophobicContact CG-CZ2 3.99Å; K251-W269 HydrophobicContact CG-CZ3 4Å; K251-W269 VanDerWaalsContact NZ-CD1 3.35Å; A265-W269 CarbonylContact C-O 3.6Å; A265-W269 WeakPolarHBondContact CA-O 3.38Å; A265-W269 HydrophobicContact CB-CB 3.76Å; A265-W269 WeakPolarHBondContact CB-O 3.5Å; A265-W269 PolarHBondContact N-O 2.66Å; E266-W269 WeakPolarHBondContact O-CB 3.42Å; E266-W269 PolarHBondContact O-N 2.91Å; G267-W269 VanDerWaalsContact C-N 3.34Å
270	V	97.4	Very high	95.8	Very high	5 Å²	5	71.7 Å²	71.7	3%	0.03	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156	159.4	-69.9	0	0	0	0	109.1	F249 T250 V252 R258 Q262 H263	F249-V270 CarbonylContact C-O 3.57Å; F249-V270 VanDerWaalsContact CA-O 3.25Å; F249-V270 WeakPolarHBondContact CA-O 3.42Å; T250-V270 PolarHBondContact N-O 2.62Å; T250-V270 PolarHBondContact O-N 3.15Å; T250-V270 WeakPolarHBondContact OG1-CG2 3.36Å; V252-V270 HydrophobicContact CG2-CB 4.05Å; V252-V270 HydrophobicContact CG2-CG1 3.43Å; V252-V270 VanDerWaalsContact CG2-CG1 3.43Å; V252-V270 HydrophobicContact CG2-CG2 3.54Å; R258-V270 HydrophobicContact CG-CG1 4.18Å; Q262-V270 HydrophobicContact CB-CB 4.39Å; Q262-V270 HydrophobicContact CG-CG2 4.4Å; H263-V270 CarbonylContact O-C 3.51Å; H263-V270 WeakPolarHBondContact O-CA 3.49Å; H263-V270 VanDerWaalsContact O-CB 3.26Å; H263-V270 WeakPolarHBondContact O-CB 3.45Å
271	Y	98.2	Very high	95.9	Very high	29 Å²	29	65.3 Å²	65.3	11%	0.114	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.7	173.6	73.2	-84.3	0	0	0	112.8	E67 L70 L73 I247 V248 F249 H263 E264 A265	E67-Y271 HydrophobicContact CB-CE2 4.18Å; E67-Y271 HydrophobicContact CG-CD2 4.43Å; E67-Y271 HydrophobicContact CG-CE2 3.73Å; L70-Y271 HydrophobicContact CD1-CD2 4.29Å; L70-Y271 HydrophobicContact CD1-CE2 4.11Å; L73-Y271 HydrophobicContact CD2-CD1 4.34Å; L73-Y271 HydrophobicContact CD2-CE1 3.7Å; I247-Y271 HydrophobicContact CG2-CD2 3.99Å; V248-Y271 CarbonylContact O-C 3.56Å; V248-Y271 WeakPolarHBondContact O-CA 3.44Å; V248-Y271 WeakPolarHBondContact O-CB 3.38Å; F249-Y271 HydrophobicContact CE1-CD1 4.19Å; F249-Y271 HydrophobicContact CE1-CG 4.21Å; F249-Y271 HydrophobicContact CZ-CG 4.37Å; H263-Y271 HydrophobicContact CB-CD1 3.9Å; H263-Y271 HydrophobicContact CB-CD2 4.26Å; H263-Y271 HydrophobicContact CB-CE1 3.45Å; H263-Y271 VanDerWaalsContact CB-CE1 3.45Å; H263-Y271 HydrophobicContact CB-CE2 3.83Å; H263-Y271 HydrophobicContact CB-CG 4.3Å; H263-Y271 VanDerWaalsContact CB-CZ 3.41Å; H263-Y271 PolarHBondContact N-O 3.46Å; H263-Y271 PolarHBondContact O-N 3.37Å; E264-Y271 WeakPolarHBondContact O-CE1 3.48Å; A265-Y271 HydrophobicContact CB-CD1 3.89Å
272	Q	98	Very high	96	Very high	48 Å²	48	60.5 Å²	60.5	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.3	176.7	59.4	-178.1	92.6	0	0	110.6	V248 F261 Q262 L274	V248-Q272 HydrophobicContact CG1-CG 3.6Å; V248-Q272 PolarHBondContact N-O 3Å; V248-Q272 PolarHBondContact O-N 3.12Å; F261-Q272 WeakPolarHBondContact O-CB 3.37Å; Q262-Q272 HydrophobicContact CG-CB 4.34Å; Q262-Q272 VanDerWaalsContact CG-OE1 3.24Å; Q272-L274 HydrophobicContact CG-CD2 4.43Å
273	R	98.2	Very high	96	Very high	88 Å²	88	61.4 Å²	61.4	33%	0.332	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.2	167	-170.8	161.2	-73.3	-99.7	-3.6	110.8	F65 E67 D245 R246	F65-R273 PolarHBondContact O-NH2 3.35Å; E67-R273 VanDerWaalsContact CD-NH2 3.32Å; E67-R273 WeakPolarHBondContact OE1-CB 3.06Å; E67-R273 IonicContact OE1-CZ 3.87Å; E67-R273 IonicContact OE1-NE 2.66Å; E67-R273 PolarHBondContact OE1-NE 3.01Å; E67-R273 IonicContact OE1-NH2 3.71Å; E67-R273 PolarHBondContact OE1-NH2 3.35Å; E67-R273 VanDerWaalsContact OE1-NH2 3.15Å; E67-R273 IonicContact OE2-CZ 3.45Å; E67-R273 IonicContact OE2-NE 2.83Å; E67-R273 PolarHBondContact OE2-NE 3.11Å; E67-R273 IonicContact OE2-NH2 2.68Å; E67-R273 PolarHBondContact OE2-NH2 3.21Å; D245-R273 IonicContact OD1-CZ 3.37Å; D245-R273 IonicContact OD1-NH1 2.88Å; D245-R273 PolarHBondContact OD1-NH1 3.35Å; D245-R273 IonicContact OD1-NH2 2.63Å; R246-R273 CarbonylContact O-C 3.53Å; R246-R273 WeakPolarHBondContact O-CA 3.45Å
274	L	98	Very high	96	Very high	53 Å²	53	58.8 Å²	58.8	28%	0.277	36%	0.355	S	S	.	.			trans	-112.8	152.9	167.1	-59	-177.5	0	0	0	110.3	R246 V248 Q272	R246-L274 HydrophobicContact CB-CB 3.96Å; R246-L274 PolarHBondContact O-N 3.28Å; V248-L274 HydrophobicContact CB-CD1 4.09Å; V248-L274 HydrophobicContact CB-CG 4.35Å; V248-L274 HydrophobicContact CG1-CD1 3.8Å; V248-L274 HydrophobicContact CG1-CD2 3.98Å; V248-L274 HydrophobicContact CG1-CG 3.72Å; Q272-L274 HydrophobicContact CG-CD2 4.43Å
275	S	96.8	Very high	96	Very high	92 Å²	92	52.8 Å²	52.8	64%	0.643	33%	0.333	S	S	*	.			trans	-65.6	147.9	167.1	60.3	0	0	0	0	110.8	R246	R246-S275 WeakPolarHBondContact CD-O 3.46Å; R246-S275 PolarHBondContact NH1-O 3.11Å
276	P	92.4	Very high	95.9	Very high	101 Å²	101	56.6 Å²	56.6	66%	0.656	36%	0.355	S	S	*	.			trans	-60	0	174	30.1	-39.7	0	0	0	113.6	H244	H244-P276 HydrophobicContact CB-CB 3.82Å

Retrieved 276 of 276 residues in 439.7 ms (Link to these results)

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