A0A023IMI6_RAT Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB (P28064), UniProt , Accession A0A023IMI6, Species RAT (Rattus norvegicus, Rat), Gene Psmb8, 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	45.1	Very low	46.2	Very low	241 Å²	241	142.6 Å²	142.6	100%	1.187	82%	0.816	S	S	*	*				0	23.7	0	-72.6	-59.9	-148.1	0	0	113.4
2	A	51.2	Low	45.8	Very low	86 Å²	86	136.6 Å²	136.6	71%	0.711	81%	0.808	S	S	*	*			trans	-127.6	-1	-174.3	0	0	0	0	0	115.5
3	L	47	Very low	45.1	Very low	145 Å²	145	140.8 Å²	140.8	76%	0.759	82%	0.815	S	S	*	*	S	Bend	trans	-111.5	-20.2	-172.8	-135.5	136.6	0	0	0	113.8
4	L	47.9	Very low	44.5	Very low	164 Å²	164	148 Å²	148	86%	0.859	82%	0.822	S	S	*	*	S	Bend	trans	-78.7	-23.5	178.7	-101.1	111.6	0	0	0	114
5	D	48.7	Very low	44	Very low	151 Å²	151	145 Å²	145	81%	0.807	81%	0.811	S	S	*	*	S	Bend	trans	-80	-15.1	178.2	-84.2	-23.1	0	0	0	113.4
6	L	45.7	Very low	43.1	Very low	153 Å²	153	146.8 Å²	146.8	80%	0.801	81%	0.811	S	S	*	*	S	Bend	trans	-87.6	-16.9	-177.4	-122.2	127.6	0	0	0	113.6
7	C	53.2	Low	42.5	Very low	99 Å²	99	152.3 Å²	152.3	67%	0.669	82%	0.817	S	S	*	*	S	Bend	trans	-102.8	11.6	-172.1	-65	0	0	0	0	115.1	A9	C7-A9 PolarHBondContact O-N 2.81Å
8	G	40	Very low	42	Very low	71 Å²	71	149.6 Å²	149.6	73%	0.732	82%	0.82	S	S	*	*			trans	57.9	22.1	162.3	0	0	0	0	0	117.2
9	A	44.8	Very low	41.5	Very low	84 Å²	84	146.5 Å²	146.5	69%	0.694	82%	0.816	S	S	*	*			trans	-72.2	127.9	-179.7	0	0	0	0	0	110.8	C7 R11	C7-A9 PolarHBondContact O-N 2.81Å; A9-R11 PolarHBondContact O-N 2.89Å
10	P	48.3	Very low	41.1	Very low	125 Å²	125	145.7 Å²	145.7	81%	0.812	82%	0.815	S	S	*	*			trans	-69.3	130.5	-176.4	27.8	-33.4	0	0	0	110.9	G12	P10-G12 VanDerWaalsContact C-N 3.34Å; P10-G12 PolarHBondContact O-N 2.62Å
11	R	36.5	Very low	40.6	Very low	250 Å²	250	146.3 Å²	146.3	94%	0.943	82%	0.816	S	S	*	*			trans	-67.9	88.7	169.3	-77.9	-176.1	179	-178.1	1.6	109.6	A9	A9-R11 PolarHBondContact O-N 2.89Å
12	G	40.6	Very low	39.9	Very low	70 Å²	70	140 Å²	140	72%	0.722	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-89.8	138.6	172	0	0	0	0	0	112.3	P10	P10-G12 VanDerWaalsContact C-N 3.34Å; P10-G12 PolarHBondContact O-N 2.62Å
13	Q	37.4	Very low	39	Very low	191 Å²	191	139 Å²	139	89%	0.893	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.7	139.1	-170.8	-68.6	160.9	-16.4	0	0	114.5
14	R	36.3	Very low	38.1	Very low	242 Å²	242	138.3 Å²	138.3	91%	0.913	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-75.4	131.3	162.6	-84.2	-178.4	171.4	177.7	-3.4	109.6
15	P	37	Very low	37.3	Very low	103 Å²	103	133.6 Å²	133.6	67%	0.669	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.8	123.9	153.5	0.3	18.9	0	0	0	108.9	W17	P15-W17 PolarHBondContact O-N 3.03Å
16	E	29.9	Very low	36.5	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	81%	0.809	S	S	*	*			trans	-45.8	129.4	146.7	-87.1	171	127.7	0	0	107.8
17	W	32.6	Very low	36.1	Very low	241 Å²	241	139.4 Å²	139.4	91%	0.913	81%	0.812	S	S	*	*			trans	165.9	105.7	139	-49.3	-44.9	0	0	0	106.9	P15	P15-W17 PolarHBondContact O-N 3.03Å
18	A	33.8	Very low	35.6	Very low	104 Å²	104	140.3 Å²	140.3	86%	0.86	82%	0.82	S	S	*	*			trans	161.7	75.4	151	0	0	0	0	0	108.2
19	A	32.8	Very low	35.6	Very low	91 Å²	91	143.1 Å²	143.1	75%	0.752	82%	0.818	S	S	*	*			trans	-75.7	153.7	152.5	0	0	0	0	0	108.7
20	V	32.6	Very low	35.5	Very low	130 Å²	130	143 Å²	143	79%	0.788	81%	0.81	S	S	*	*			trans	84.7	97	164.8	-158.9	0	0	0	0	115.8
21	D	30.4	Very low	35.1	Very low	158 Å²	158	138 Å²	138	85%	0.845	78%	0.782	S	S	*	*				-157.4	119.4	111.2	-112.9	-18.2	0	0	0	111.8	G23	D21-G23 PolarHBondContact O-N 3.36Å
22	A	31.9	Very low	35.2	Very low	108 Å²	108	132.7 Å²	132.7	89%	0.893	77%	0.767	S	S	*	*			trans	-85	98.5	169.6	0	0	0	0	0	107.6
23	G	31.5	Very low	35.2	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	76%	0.763	S	S	*	*			trans	-140.3	115.9	-179.1	0	0	0	0	0	111.1	D21	D21-G23 PolarHBondContact O-N 3.36Å
24	S	29.3	Very low	34.9	Very low	130 Å²	130	130.6 Å²	130.6	91%	0.909	74%	0.738	S	S	*	*			trans	-44.1	128.9	178	52.2	0	0	0	0	115.3
25	G	31	Very low	35.2	Very low	64 Å²	64	129.9 Å²	129.9	66%	0.66	74%	0.742	S	S	*	*			trans	-175.8	102.7	161.7	0	0	0	0	0	109.7	R27	G25-R27 PolarHBondContact O-N 3.16Å
26	L	32	Very low	35.4	Very low	194 Å²	194	129.6 Å²	129.6	100%	1.016	74%	0.743	S	S	*	*			trans	-58.3	89.6	166.4	-86.1	114.4	0	0	0	108.6
27	R	37.3	Very low	36	Very low	232 Å²	232	124.9 Å²	124.9	88%	0.875	73%	0.726	S	S	*	*			trans	-109.2	114.2	160.6	-82	-174.4	168.6	-170.8	-2.7	106.2	G25 D29	G25-R27 PolarHBondContact O-N 3.16Å; R27-D29 PolarHBondContact O-N 2.89Å
28	S	41.9	Very low	36.9	Very low	119 Å²	119	123.2 Å²	123.2	83%	0.832	73%	0.728	S	S	*	*			trans	-53.3	104.3	169	46.3	0	0	0	0	108.9	P30	S28-P30 VanDerWaalsContact O-CD 3.31Å; S28-P30 WeakPolarHBondContact O-CD 2.94Å
29	D	40.4	Very low	37.9	Very low	130 Å²	130	120.5 Å²	120.5	70%	0.695	71%	0.706	S	S	*	*			trans	-77.2	114.1	171.8	-173.3	10.7	0	0	0	108.1	R27 G31	R27-D29 PolarHBondContact O-N 2.89Å; D29-G31 PolarHBondContact O-N 3.46Å
30	P	42.2	Very low	39.1	Very low	80 Å²	80	119.9 Å²	119.9	52%	0.519	69%	0.694	S	S	.	*			trans	-73.5	34.3	179.6	-12.2	29.7	0	0	0	113.2	S28	S28-P30 VanDerWaalsContact O-CD 3.31Å; S28-P30 WeakPolarHBondContact O-CD 2.94Å
31	G	39.7	Very low	40.5	Very low	21 Å²	21	118 Å²	118	22%	0.216	68%	0.677	C	S	.	*			trans	-104.6	10.5	-157.5	0	0	0	0	0	117.4	D29 R46	D29-G31 PolarHBondContact O-N 3.46Å; G31-R46 PolarHBondContact O-NH2 3.21Å
32	H	38.8	Very low	42.3	Very low	139 Å²	139	113.2 Å²	113.2	64%	0.644	65%	0.651	S	S	*	*			trans	-134.2	105.6	-178.9	-89.1	-85.5	0	0	0	113.9	S34 R46	H32-S34 VanDerWaalsContact C-N 3.33Å; H32-S34 PolarHBondContact O-N 2.8Å; H32-R46 PolarHBondContact NE2-NH2 3.23Å
33	Y	40.1	Very low	44.1	Very low	163 Å²	163	110.4 Å²	110.4	64%	0.639	63%	0.628	S	S	*	*			trans	-70	94.7	152.6	-123.5	-114.6	0	0	0	107.4	E41 A43	Y33-E41 WeakPolarHBondContact CE2-O 3.43Å; Y33-A43 HydrophobicContact CD2-CB 3.11Å; Y33-A43 HydrophobicContact CE2-CB 3.53Å; Y33-A43 HydrophobicContact CG-CB 3.93Å
34	S	32.3	Very low	45.8	Very low	53 Å²	53	110 Å²	110	37%	0.371	61%	0.609	S	S	.	*			trans	-111.8	132.9	163.2	-178.4	0	0	0	0	108	H32 S36 V37	H32-S34 VanDerWaalsContact C-N 3.33Å; H32-S34 PolarHBondContact O-N 2.8Å; S34-S36 PolarHBondContact O-N 2.96Å; S34-S36 PolarHBondContact OG-N 3.23Å; S34-S36 PolarHBondContact OG-OG 2.95Å; S34-V37 WeakPolarHBondContact O-CG2 3.48Å; S34-V37 PolarHBondContact O-N 3.3Å; S34-V37 VanDerWaalsContact O-N 3.09Å
35	F	41.4	Very low	47.6	Very low	227 Å²	227	108.1 Å²	108.1	100%	0.996	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-5.7	170	-94.2	-87.4	0	0	0	113
36	S	42.2	Very low	49.2	Very low	98 Å²	98	114.3 Å²	114.3	69%	0.685	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	2.9	177.1	66.3	0	0	0	0	115.9	S34 Q38	S34-S36 PolarHBondContact O-N 2.96Å; S34-S36 PolarHBondContact OG-N 3.23Å; S34-S36 PolarHBondContact OG-OG 2.95Å; S36-Q38 PolarHBondContact O-N 3.06Å
37	V	42.8	Very low	50.9	Low	73 Å²	73	109.5 Å²	109.5	44%	0.442	60%	0.595	S	S	.	*			trans	-72	129.2	175.9	-168.1	0	0	0	0	109.5	S34 A39	S34-V37 WeakPolarHBondContact O-CG2 3.48Å; S34-V37 PolarHBondContact O-N 3.3Å; S34-V37 VanDerWaalsContact O-N 3.09Å; V37-A39 VanDerWaalsContact CG1-O 3.29Å; V37-A39 WeakPolarHBondContact CG1-O 3.42Å; V37-A39 PolarHBondContact O-N 3.35Å
38	Q	51.1	Low	52.4	Low	206 Å²	206	103.2 Å²	103.2	96%	0.963	58%	0.577	S	S	*	*	S	Bend	trans	-60.3	-15.3	178.3	-81	-178.4	-22.7	0	0	113.7	S36	S36-Q38 PolarHBondContact O-N 3.06Å
39	A	54.7	Low	53.8	Low	48 Å²	48	103 Å²	103	40%	0.397	56%	0.563	S	S	.	*	S	Bend	trans	-130.3	128.8	176.8	0	0	0	0	0	110.3	V37 E41	V37-A39 VanDerWaalsContact CG1-O 3.29Å; V37-A39 WeakPolarHBondContact CG1-O 3.42Å; V37-A39 PolarHBondContact O-N 3.35Å; A39-E41 PolarHBondContact O-N 2.81Å
40	P	56.8	Low	55.3	Low	77 Å²	77	98.4 Å²	98.4	50%	0.5	54%	0.54	S	S	.	.			trans	-73.9	108.7	172.8	30	-31.3	0	0	0	109.5
41	E	63.2	Low	56.8	Low	90 Å²	90	96.2 Å²	96.2	42%	0.421	53%	0.525	S	S	.	.			trans	-99.3	150.6	170.4	-67.9	179.5	-178.1	0	0	110.1	Y33 A39 A43	Y33-E41 WeakPolarHBondContact CE2-O 3.43Å; A39-E41 PolarHBondContact O-N 2.81Å; E41-A43 PolarHBondContact O-N 2.91Å
42	L	68.6	Low	58.5	Low	58 Å²	58	100.6 Å²	100.6	30%	0.304	54%	0.54	S	S	.	.			trans	-70.7	113.8	170.9	-177.3	72	0	0	0	108.2	L44 Y162	L42-L44 HydrophobicContact CD2-CD2 4.24Å; L42-L44 HydrophobicContact CG-CD2 4.49Å; L42-L44 PolarHBondContact O-N 3.16Å; L42-Y162 HydrophobicContact CB-CE1 3.72Å; L42-Y162 WeakPolarHBondContact CB-OH 3.34Å; L42-Y162 HydrophobicContact CD2-CD1 4.43Å; L42-Y162 HydrophobicContact CD2-CE1 4.04Å; L42-Y162 HydrophobicContact CG-CE1 4.47Å; L42-Y162 PolarHBondContact N-OH 3.45Å
43	A	69.4	Low	60.2	Low	49 Å²	49	98.1 Å²	98.1	41%	0.405	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.5	120.3	174.3	0	0	0	0	0	109.9	Y33 E41	Y33-A43 HydrophobicContact CD2-CB 3.11Å; Y33-A43 HydrophobicContact CE2-CB 3.53Å; Y33-A43 HydrophobicContact CG-CB 3.93Å; E41-A43 PolarHBondContact O-N 2.91Å
44	L	67.5	Low	61.7	Low	58 Å²	58	92.8 Å²	92.8	30%	0.304	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-86.8	140.6	168	-58.5	-179.2	0	0	0	109.8	L42 R46 P50 M165	L42-L44 HydrophobicContact CD2-CD2 4.24Å; L42-L44 HydrophobicContact CG-CD2 4.49Å; L42-L44 PolarHBondContact O-N 3.16Å; L44-R46 PolarHBondContact O-N 3.4Å; L44-P50 HydrophobicContact CD1-CG 3.83Å; L44-P50 HydrophobicContact CD2-CG 3.61Å; L44-P50 HydrophobicContact CG-CG 4.18Å; L44-M165 HydrophobicContact CD1-SD 4.12Å
45	P	65.7	Low	63.5	Low	92 Å²	92	97.8 Å²	97.8	60%	0.597	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-56.4	135.5	174	-22	31.7	0	0	0	111.6	G47	P45-G47 PolarHBondContact O-N 2.99Å
46	R	65.5	Low	64.8	Low	193 Å²	193	88.4 Å²	88.4	73%	0.728	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	131.9	174.7	-69.2	-172.3	178.2	-171.3	-2.7	110.2	G31 H32 L44	G31-R46 PolarHBondContact O-NH2 3.21Å; H32-R46 PolarHBondContact NE2-NH2 3.23Å; L44-R46 PolarHBondContact O-N 3.4Å
47	G	68	Low	66	Low	94 Å²	94	86.3 Å²	86.3	97%	0.969	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	2.1	172.8	0	0	0	0	0	116.1	P45	P45-G47 PolarHBondContact O-N 2.99Å
48	M	67.9	Low	66.8	Low	100 Å²	100	84.6 Å²	84.6	49%	0.493	46%	0.459	S	S	.	.			trans	-131.4	109.1	174.2	-174.1	179.2	-72.8	0	0	108.9	P50 F53	M48-P50 WeakPolarHBondContact O-CD 3.34Å; M48-F53 HydrophobicContact CE-CD2 3.97Å; M48-F53 HydrophobicContact CE-CE2 4.32Å; M48-F53 HydrophobicContact CG-CB 3.86Å; M48-F53 HydrophobicContact CG-CD2 4.24Å; M48-F53 HydrophobicContact CG-CG 4.32Å; M48-F53 HydrophobicContact SD-CB 3.99Å; M48-F53 HydrophobicContact SD-CD2 3.35Å; M48-F53 WeakPolarHBondContact SD-CD2 3.43Å; M48-F53 HydrophobicContact SD-CE2 3.94Å; M48-F53 HydrophobicContact SD-CG 3.77Å
49	Q	71.7	Confident	67.2	Low	114 Å²	114	81 Å²	81	53%	0.533	45%	0.446	S	S	.	.			trans	-73.3	122.8	170.8	-67.8	-172	9.3	0	0	108.4	T51 E52 F53	Q49-T51 PolarHBondContact O-N 2.93Å; Q49-E52 HydrophobicContact CB-CB 4.07Å; Q49-E52 HydrophobicContact CB-CG 3.86Å; Q49-E52 PolarHBondContact O-N 3.48Å; Q49-E52 PolarHBondContact OE1-OE1 3.06Å; Q49-F53 PolarHBondContact O-N 3.13Å
50	P	71.5	Confident	67	Low	34 Å²	34	82.6 Å²	82.6	22%	0.221	45%	0.449	C	S	.	.	H	α-helix	trans	-54.6	-38.5	-179.2	-26.2	33.5	0	0	0	112.6	L44 M48 F53 L54	L44-P50 HydrophobicContact CD1-CG 3.83Å; L44-P50 HydrophobicContact CD2-CG 3.61Å; L44-P50 HydrophobicContact CG-CG 4.18Å; M48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-F53 PolarHBondContact O-N 3.49Å; P50-L54 WeakPolarHBondContact O-CB 3.41Å; P50-L54 VanDerWaalsContact O-CG 3.29Å; P50-L54 WeakPolarHBondContact O-CG 3.49Å; P50-L54 PolarHBondContact O-N 2.98Å
51	T	73.5	Confident	66.9	Low	33 Å²	33	87.7 Å²	87.7	20%	0.202	47%	0.466	C	S	.	.	H	α-helix	trans	-62.7	-44.1	177.2	-45.3	0	0	0	0	112	Q49 R55 G164 M165	Q49-T51 PolarHBondContact O-N 2.93Å; T51-R55 VanDerWaalsContact O-CB 3.31Å; T51-R55 WeakPolarHBondContact O-CB 3.25Å; T51-R55 WeakPolarHBondContact O-CG 3.35Å; T51-R55 PolarHBondContact O-N 3.14Å; T51-G164 VanDerWaalsContact CG2-O 3.32Å; T51-G164 WeakPolarHBondContact CG2-O 3.46Å; T51-G164 PolarHBondContact OG1-O 3.37Å; T51-M165 WeakPolarHBondContact OG1-CA 3.3Å
52	E	75	Confident	66.5	Low	114 Å²	114	92.7 Å²	92.7	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-41.2	177.7	-65.8	179.3	159	0	0	111.2	Q49 R55 S56	Q49-E52 HydrophobicContact CB-CB 4.07Å; Q49-E52 HydrophobicContact CB-CG 3.86Å; Q49-E52 PolarHBondContact O-N 3.48Å; Q49-E52 PolarHBondContact OE1-OE1 3.06Å; E52-R55 PolarHBondContact O-N 3.43Å; E52-S56 PolarHBondContact O-N 3.43Å
53	F	74.7	Confident	65.9	Low	86 Å²	86	96.2 Å²	96.2	38%	0.377	50%	0.498	S	S	.	.	H	α-helix	trans	-58.8	-51.5	174.8	176.2	-98.2	0	0	0	110.9	M48 Q49 P50 S56 F57	M48-F53 HydrophobicContact CE-CD2 3.97Å; M48-F53 HydrophobicContact CE-CE2 4.32Å; M48-F53 HydrophobicContact CG-CB 3.86Å; M48-F53 HydrophobicContact CG-CD2 4.24Å; M48-F53 HydrophobicContact CG-CG 4.32Å; M48-F53 HydrophobicContact SD-CB 3.99Å; M48-F53 HydrophobicContact SD-CD2 3.35Å; M48-F53 WeakPolarHBondContact SD-CD2 3.43Å; M48-F53 HydrophobicContact SD-CE2 3.94Å; M48-F53 HydrophobicContact SD-CG 3.77Å; Q49-F53 PolarHBondContact O-N 3.13Å; P50-F53 PolarHBondContact O-N 3.49Å; F53-S56 WeakPolarHBondContact O-CB 3.46Å; F53-S56 PolarHBondContact O-N 2.86Å; F53-S56 PolarHBondContact O-OG 3.09Å; F53-F57 HydrophobicContact CD1-CD2 4.46Å; F53-F57 HydrophobicContact CD1-CE2 4.23Å; F53-F57 AromaticContact CD2-CE2 3.92Å; F53-F57 HydrophobicContact CD2-CE2 3.92Å; F53-F57 HydrophobicContact CE1-CD2 4.22Å; F53-F57 AromaticContact CE1-CE2 3.81Å; F53-F57 HydrophobicContact CE1-CE2 3.81Å; F53-F57 AromaticContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CE2 3.49Å; F53-F57 VanDerWaalsContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CZ 4.11Å; F53-F57 HydrophobicContact CG-CE2 4.28Å; F53-F57 HydrophobicContact CZ-CD2 4.28Å; F53-F57 AromaticContact CZ-CE2 3.43Å; F53-F57 HydrophobicContact CZ-CE2 3.43Å; F53-F57 VanDerWaalsContact CZ-CE2 3.43Å; F53-F57 HydrophobicContact CZ-CZ 4.09Å; F53-F57 WeakPolarHBondContact O-CD2 3.35Å
54	L	72.4	Confident	65.1	Low	52 Å²	52	104.3 Å²	104.3	27%	0.272	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-41.6	179.2	-72.7	174.1	0	0	0	112	P50 S56 F57 G58 M69	P50-L54 WeakPolarHBondContact O-CB 3.41Å; P50-L54 VanDerWaalsContact O-CG 3.29Å; P50-L54 WeakPolarHBondContact O-CG 3.49Å; P50-L54 PolarHBondContact O-N 2.98Å; L54-S56 PolarHBondContact O-N 3.3Å; L54-F57 CarbonylContact O-C 3.6Å; L54-F57 PolarHBondContact O-N 3.43Å; L54-G58 PolarHBondContact O-N 3.11Å; L54-G58 VanDerWaalsContact O-N 3.09Å; L54-M69 HydrophobicContact CD1-CE 4.11Å; L54-M69 HydrophobicContact CD2-CE 3.9Å
55	R	70.5	Confident	64.5	Low	157 Å²	157	106.3 Å²	106.3	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-57.1	-37.7	174.9	-80.8	176.9	-178.5	176.5	1.9	112.4	T51 E52 F57 G58 D59	T51-R55 VanDerWaalsContact O-CB 3.31Å; T51-R55 WeakPolarHBondContact O-CB 3.25Å; T51-R55 WeakPolarHBondContact O-CG 3.35Å; T51-R55 PolarHBondContact O-N 3.14Å; E52-R55 PolarHBondContact O-N 3.43Å; R55-F57 PolarHBondContact O-N 2.77Å; R55-G58 PolarHBondContact O-N 2.99Å; R55-D59 PolarHBondContact O-N 3.46Å
56	S	67.7	Low	64.1	Low	30 Å²	30	106.3 Å²	106.3	21%	0.21	53%	0.531	C	S	.	.	H	α-helix	trans	-65.5	-8	177.2	83.8	0	0	0	0	114.7	E52 F53 L54 R63	E52-S56 PolarHBondContact O-N 3.43Å; F53-S56 WeakPolarHBondContact O-CB 3.46Å; F53-S56 PolarHBondContact O-N 2.86Å; F53-S56 PolarHBondContact O-OG 3.09Å; L54-S56 PolarHBondContact O-N 3.3Å; S56-R63 PolarHBondContact O-NH1 3.27Å
57	F	67	Low	63.8	Low	54 Å²	54	101.2 Å²	101.2	24%	0.237	52%	0.517	C	S	.	.	H	α-helix	trans	-115.6	-6.7	171.4	-62.2	-78.2	0	0	0	113.8	F53 L54 R55 Q66 I67	F53-F57 HydrophobicContact CD1-CD2 4.46Å; F53-F57 HydrophobicContact CD1-CE2 4.23Å; F53-F57 AromaticContact CD2-CE2 3.92Å; F53-F57 HydrophobicContact CD2-CE2 3.92Å; F53-F57 HydrophobicContact CE1-CD2 4.22Å; F53-F57 AromaticContact CE1-CE2 3.81Å; F53-F57 HydrophobicContact CE1-CE2 3.81Å; F53-F57 AromaticContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CE2 3.49Å; F53-F57 VanDerWaalsContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CZ 4.11Å; F53-F57 HydrophobicContact CG-CE2 4.28Å; F53-F57 HydrophobicContact CZ-CD2 4.28Å; F53-F57 AromaticContact CZ-CE2 3.43Å; F53-F57 HydrophobicContact CZ-CE2 3.43Å; F53-F57 VanDerWaalsContact CZ-CE2 3.43Å; F53-F57 HydrophobicContact CZ-CZ 4.09Å; F53-F57 WeakPolarHBondContact O-CD2 3.35Å; L54-F57 CarbonylContact O-C 3.6Å; L54-F57 PolarHBondContact O-N 3.43Å; R55-F57 PolarHBondContact O-N 2.77Å; F57-Q66 CarbonylContact O-C 3.57Å; F57-Q66 VanDerWaalsContact O-CA 3.3Å; F57-Q66 WeakPolarHBondContact O-CA 3.44Å; F57-I67 HydrophobicContact CB-CB 4.02Å; F57-I67 HydrophobicContact CB-CD1 3.73Å; F57-I67 HydrophobicContact CB-CG1 3.82Å; F57-I67 HydrophobicContact CD1-CD1 3.92Å; F57-I67 HydrophobicContact CD1-CG1 4.28Å; F57-I67 HydrophobicContact CD2-CD1 4.16Å; F57-I67 HydrophobicContact CG-CD1 3.67Å; F57-I67 HydrophobicContact CG-CG1 4.18Å; F57-I67 PolarHBondContact O-N 3.27Å
58	G	60.1	Low	63.4	Low	38 Å²	38	104 Å²	104	39%	0.392	51%	0.505	S	S	.	.	H	α-helix	trans	-102.1	-41.1	-175	0	0	0	0	0	114.5	L54 R55	L54-G58 PolarHBondContact O-N 3.11Å; L54-G58 VanDerWaalsContact O-N 3.09Å; R55-G58 PolarHBondContact O-N 2.99Å
59	D	59.1	Low	63	Low	129 Å²	129	103.7 Å²	103.7	69%	0.69	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-14.9	-166.6	-72.4	-30.8	0	0	0	114.7	R55 Q61	R55-D59 PolarHBondContact O-N 3.46Å; D59-Q61 PolarHBondContact O-N 3.07Å
60	D	50.6	Low	62.3	Low	83 Å²	83	99.8 Å²	99.8	44%	0.444	49%	0.491	S	S	.	.			trans	-81.7	104.8	-176.5	-79	-22.5	0	0	0	111.8	E62 R63	D60-E62 PolarHBondContact O-N 3.02Å; D60-E62 VanDerWaalsContact O-N 3.14Å; D60-R63 PolarHBondContact O-N 2.91Å
61	Q	54.7	Low	61.9	Low	184 Å²	184	102.3 Å²	102.3	86%	0.86	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.8	174.1	-67.9	-170.9	3.4	0	0	113.7	D59	D59-Q61 PolarHBondContact O-N 3.07Å
62	E	56.5	Low	61.7	Low	194 Å²	194	101 Å²	101	91%	0.907	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.5	-177.6	-67.8	-170.5	161.6	0	0	114	D60	D60-E62 PolarHBondContact O-N 3.02Å; D60-E62 VanDerWaalsContact O-N 3.14Å
63	R	54.8	Low	62.6	Low	132 Å²	132	96 Å²	96	50%	0.498	47%	0.469	S	S	.	.	S	Bend	trans	-99.1	127.5	179.8	-74.6	-179.5	175.8	173.6	0.2	111.4	S56 D60 V65	S56-R63 PolarHBondContact O-NH1 3.27Å; D60-R63 PolarHBondContact O-N 2.91Å; R63-V65 PolarHBondContact O-N 3.44Å
64	K	52.4	Low	63.7	Low	219 Å²	219	91.9 Å²	91.9	95%	0.952	45%	0.451	S	S	*	.	S	Bend	trans	-61.5	-11.6	179.5	-93.8	-176.8	176	179.4	0	115.6
65	V	56	Low	64.9	Low	101 Å²	101	89.4 Å²	89.4	61%	0.612	44%	0.438	S	S	*	.			trans	-121.5	88.6	-176.9	-173.3	0	0	0	0	108.6	R63	R63-V65 PolarHBondContact O-N 3.44Å
66	Q	56.1	Low	66.2	Low	91 Å²	91	81.9 Å²	81.9	43%	0.425	41%	0.41	S	S	.	.			trans	-84.6	125.6	169.1	-68.3	-177.1	-21.2	0	0	108.6	F57 E68	F57-Q66 CarbonylContact O-C 3.57Å; F57-Q66 VanDerWaalsContact O-CA 3.3Å; F57-Q66 WeakPolarHBondContact O-CA 3.44Å; Q66-E68 PolarHBondContact O-N 2.67Å
67	I	60.6	Low	67.7	Low	86 Å²	86	80.5 Å²	80.5	44%	0.441	40%	0.4	S	S	.	.			trans	-87.9	85.4	172.9	-59.8	174.5	0	0	0	106.8	F57 M69	F57-I67 HydrophobicContact CB-CB 4.02Å; F57-I67 HydrophobicContact CB-CD1 3.73Å; F57-I67 HydrophobicContact CB-CG1 3.82Å; F57-I67 HydrophobicContact CD1-CD1 3.92Å; F57-I67 HydrophobicContact CD1-CG1 4.28Å; F57-I67 HydrophobicContact CD2-CD1 4.16Å; F57-I67 HydrophobicContact CG-CD1 3.67Å; F57-I67 HydrophobicContact CG-CG1 4.18Å; F57-I67 PolarHBondContact O-N 3.27Å; I67-M69 PolarHBondContact O-N 3.09Å
68	E	58.1	Low	69.2	Low	154 Å²	154	77.9 Å²	77.9	72%	0.72	39%	0.389	S	S	*	.			trans	-73.3	116.5	165.1	-70.4	-173.5	167.4	0	0	108.3	Q66 A70	Q66-E68 PolarHBondContact O-N 2.67Å; E68-A70 PolarHBondContact O-N 2.84Å
69	M	59.1	Low	71	Confident	93 Å²	93	77.2 Å²	77.2	46%	0.458	38%	0.375	S	S	.	.			trans	-72.9	69.6	172.6	-61.4	-168.3	-161.7	0	0	109.6	L54 I67 H71	L54-M69 HydrophobicContact CD1-CE 4.11Å; L54-M69 HydrophobicContact CD2-CE 3.9Å; I67-M69 PolarHBondContact O-N 3.09Å; M69-H71 VanDerWaalsContact C-N 3.34Å; M69-H71 PolarHBondContact O-CD2 2.92Å; M69-H71 VanDerWaalsContact O-CD2 3.26Å; M69-H71 PolarHBondContact O-N 3.49Å
70	A	57.3	Low	72.9	Confident	32 Å²	32	71.5 Å²	71.5	26%	0.264	34%	0.344	S	S	.	.			trans	-73.1	89.5	175.1	0	0	0	0	0	109.3	E68	E68-A70 PolarHBondContact O-N 2.84Å
71	H	64.1	Low	75	Confident	87 Å²	87	73.6 Å²	73.6	40%	0.403	35%	0.351	S	S	.	.			trans	-88.9	112.6	175.3	43.9	59.2	0	0	0	110.6	M69	M69-H71 VanDerWaalsContact C-N 3.34Å; M69-H71 PolarHBondContact O-CD2 2.92Å; M69-H71 VanDerWaalsContact O-CD2 3.26Å; M69-H71 PolarHBondContact O-N 3.49Å
72	G	70.1	Confident	77.1	Confident	4 Å²	4	68.4 Å²	68.4	4%	0.041	33%	0.327	C	S	.	.			trans	-98	110.9	176.9	0	0	0	0	0	113.6	K105 Y241	G72-K105 PolarHBondContact O-NZ 3.17Å; G72-Y241 CarbonylContact C-O 3.5Å
73	T	92.4	Very high	79	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	28%	0.284	C	S	.	.			trans	-165.7	146.8	-178.6	-68.5	0	0	0	0	111.8	T75 D89 K105 G201 S202 G203	T73-T75 HydrophobicContact CG2-CG2 3.52Å; T73-D89 WeakPolarHBondContact CA-OD1 3.28Å; T73-K105 HydrophobicContact CG2-CD 3.63Å; T73-K105 PolarHBondContact OG1-NZ 2.85Å; T73-G201 CarbonylContact O-C 3.55Å; T73-G201 WeakPolarHBondContact O-CA 3.47Å; T73-S202 PolarHBondContact N-OG 3.08Å; T73-S202 PolarHBondContact O-N 2.83Å; T73-S202 PolarHBondContact O-OG 3.37Å; T73-G203 PolarHBondContact O-N 3.03Å
74	T	97.5	Very high	81.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.			trans	-125	118.8	159.8	-54.1	0	0	0	0	108.7	V88 D89 G203 A207 I232 A235 S242	T74-V88 WeakPolarHBondContact O-CA 3.44Å; T74-D89 PolarHBondContact N-OD1 2.98Å; T74-D89 PolarHBondContact O-N 3.11Å; T74-G203 VanDerWaalsContact OG1-CA 3.27Å; T74-G203 WeakPolarHBondContact OG1-CA 3.33Å; T74-A207 HydrophobicContact CG2-CB 3.88Å; T74-I232 HydrophobicContact CG2-CD1 3.71Å; T74-A235 HydrophobicContact CG2-CB 3.75Å; T74-S242 PolarHBondContact N-OG 2.89Å; T74-S242 WeakPolarHBondContact OG1-CB 3.41Å; T74-S242 PolarHBondContact OG1-OG 2.97Å
75	T	98.2	Very high	83.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.3	165.9	76.3	0	0	0	0	109.8	T73 V88 M172 S199 T200	T73-T75 HydrophobicContact CG2-CG2 3.52Å; T75-V88 HydrophobicContact CG2-CB 4.02Å; T75-V88 HydrophobicContact CG2-CG1 3.55Å; T75-M172 WeakPolarHBondContact OG1-CE 2.98Å; T75-S199 CarbonylContact O-C 3.55Å; T75-S199 WeakPolarHBondContact O-CA 3.49Å; T75-S199 WeakPolarHBondContact O-CB 3.48Å; T75-S199 PolarHBondContact O-OG 3.28Å; T75-T200 PolarHBondContact N-O 2.82Å; T75-T200 PolarHBondContact O-N 3.31Å; T75-T200 PolarHBondContact OG1-OG1 3.19Å
76	L	98.5	Very high	85.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152	174	66.2	84.9	0	0	0	111	F78 V86 A87 F198 A207 M211 A228 A231 I232	L76-F78 HydrophobicContact CD1-CD1 4.12Å; L76-F78 HydrophobicContact CD1-CE1 4.16Å; L76-V86 WeakPolarHBondContact O-CA 3.48Å; L76-A87 HydrophobicContact CD1-CB 3.84Å; L76-A87 HydrophobicContact CG-CB 4.09Å; L76-A87 PolarHBondContact N-O 2.87Å; L76-A87 PolarHBondContact O-N 2.99Å; L76-F198 WeakPolarHBondContact CA-O 3.31Å; L76-A207 HydrophobicContact CD2-CB 4.19Å; L76-M211 HydrophobicContact CB-CE 4.12Å; L76-M211 HydrophobicContact CB-SD 3.66Å; L76-M211 HydrophobicContact CD1-SD 3.8Å; L76-M211 HydrophobicContact CD2-CG 4.24Å; L76-M211 HydrophobicContact CD2-SD 3.76Å; L76-M211 HydrophobicContact CG-SD 3.94Å; L76-A228 HydrophobicContact CD1-CB 4.13Å; L76-A231 HydrophobicContact CD2-CB 3.51Å; L76-I232 HydrophobicContact CD2-CD1 3.54Å; L76-I232 HydrophobicContact CD2-CG1 3.73Å; L76-I232 HydrophobicContact CG-CD1 3.85Å; L76-I232 HydrophobicContact CG-CG1 4.21Å
77	A	98.7	Very high	87.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.9	169.5	0	0	0	0	0	110.7	I85 V86 M172 L183 M197 F198	A77-I85 CarbonylContact C-O 3.49Å; A77-I85 WeakPolarHBondContact CA-O 3.43Å; A77-I85 WeakPolarHBondContact CB-O 3.45Å; A77-V86 HydrophobicContact CB-CG2 4.11Å; A77-M172 HydrophobicContact CB-CE 4.25Å; A77-M172 HydrophobicContact CB-SD 3.7Å; A77-L183 HydrophobicContact CB-CD1 3.71Å; A77-L183 HydrophobicContact CB-CD2 4.21Å; A77-M197 CarbonylContact O-C 3.41Å; A77-M197 WeakPolarHBondContact O-CA 3.48Å; A77-F198 PolarHBondContact N-O 3.17Å; A77-F198 PolarHBondContact O-N 3.34Å
78	F	98.6	Very high	89.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147.6	173.1	61.3	-95.5	0	0	0	112.1	L76 V84 I85 Q196 M197 M211 Y215 A224 L227 A228	L76-F78 HydrophobicContact CD1-CD1 4.12Å; L76-F78 HydrophobicContact CD1-CE1 4.16Å; F78-V84 WeakPolarHBondContact O-CA 3.43Å; F78-V84 WeakPolarHBondContact O-CG1 3.45Å; F78-I85 HydrophobicContact CE1-CB 4.09Å; F78-I85 HydrophobicContact CE1-CG2 4.27Å; F78-I85 HydrophobicContact CE2-CB 4.04Å; F78-I85 HydrophobicContact CE2-CG1 3.89Å; F78-I85 HydrophobicContact CZ-CB 3.81Å; F78-I85 HydrophobicContact CZ-CG1 3.9Å; F78-I85 HydrophobicContact CZ-CG2 4.21Å; F78-I85 PolarHBondContact N-O 3.45Å; F78-I85 PolarHBondContact O-N 3.01Å; F78-Q196 CarbonylContact C-O 3.45Å; F78-Q196 WeakPolarHBondContact CA-O 3.33Å; F78-M197 HydrophobicContact CB-CB 3.99Å; F78-M197 HydrophobicContact CB-CE 4.35Å; F78-M197 HydrophobicContact CB-CG 3.96Å; F78-M211 HydrophobicContact CD1-SD 4.19Å; F78-Y215 HydrophobicContact CB-CE2 4.21Å; F78-Y215 HydrophobicContact CD2-CD2 4.06Å; F78-Y215 AromaticContact CD2-CE2 3.83Å; F78-Y215 HydrophobicContact CD2-CE2 3.83Å; F78-Y215 HydrophobicContact CG-CD2 4.38Å; F78-Y215 HydrophobicContact CG-CE2 4.29Å; F78-A224 HydrophobicContact CE2-CB 4.09Å; F78-A224 HydrophobicContact CZ-CB 4.24Å; F78-L227 HydrophobicContact CZ-CD2 4.35Å; F78-A228 HydrophobicContact CE1-CB 3.81Å; F78-A228 HydrophobicContact CZ-CB 4.16Å
79	K	98.3	Very high	91	Very high	24 Å²	24	21.9 Å²	21.9	10%	0.104	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	147.9	173.8	-53.3	-168.4	-170.9	178.9	0	110.2	G83 V84 P181 L183 G195 Q196 Y215	K79-G83 CarbonylContact C-O 3.47Å; K79-G83 WeakPolarHBondContact CA-O 3.29Å; K79-V84 HydrophobicContact CG-CG2 4.1Å; K79-P181 HydrophobicContact CD-CB 4.43Å; K79-P181 WeakPolarHBondContact CE-O 3.5Å; K79-P181 PolarHBondContact NZ-O 3.43Å; K79-L183 HydrophobicContact CD-CB 4.28Å; K79-L183 HydrophobicContact CG-CB 4.02Å; K79-L183 HydrophobicContact CG-CD2 4.3Å; K79-G195 VanDerWaalsContact CE-O 3.25Å; K79-G195 WeakPolarHBondContact CE-O 3.15Å; K79-Q196 PolarHBondContact N-O 3.28Å; K79-Y215 WeakPolarHBondContact O-CE2 3.3Å; K79-Y215 PolarHBondContact O-OH 2.61Å
80	F	97.7	Very high	92.9	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.039	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-179.5	172.8	73.6	-61.5	0	0	0	109.1	H82 G83 I85 L219 A224 H250	F80-H82 HydrophobicContact CD2-CB 4.21Å; F80-H82 AromaticContact CD2-ND1 3.83Å; F80-H82 HydrophobicContact CE1-CB 4.35Å; F80-H82 HydrophobicContact CE2-CB 3.51Å; F80-H82 AromaticContact CE2-CG 3.88Å; F80-H82 AromaticContact CE2-ND1 3.48Å; F80-H82 WeakPolarHBondContact CE2-ND1 3.33Å; F80-H82 HydrophobicContact CZ-CB 3.59Å; F80-H82 PolarHBondContact O-N 2.81Å; F80-H82 VanDerWaalsContact O-N 3.08Å; F80-G83 WeakPolarHBondContact CD1-O 3.36Å; F80-G83 PolarHBondContact N-O 3.26Å; F80-G83 PolarHBondContact O-N 3.19Å; F80-G83 VanDerWaalsContact O-N 3.08Å; F80-G83 VanDerWaalsContact O-O 3.13Å; F80-I85 HydrophobicContact CD1-CG1 4.14Å; F80-I85 HydrophobicContact CE1-CD1 3.67Å; F80-I85 HydrophobicContact CE1-CG1 3.64Å; F80-I85 HydrophobicContact CZ-CD1 3.96Å; F80-I85 HydrophobicContact CZ-CG1 4.2Å; F80-L219 HydrophobicContact CD2-CB 4.25Å; F80-L219 WeakPolarHBondContact CD2-O 3.28Å; F80-A224 HydrophobicContact CD2-CB 4.04Å; F80-A224 HydrophobicContact CE1-CB 4.46Å; F80-A224 HydrophobicContact CE2-CB 3.75Å; F80-A224 HydrophobicContact CG-CB 4.48Å; F80-A224 HydrophobicContact CZ-CB 3.98Å; F80-H250 AromaticContact CE1-NE2 3.79Å; F80-H250 AromaticContact CZ-CE1 3.91Å; F80-H250 AromaticContact CZ-NE2 3.65Å
81	Q	96	Very high	94.7	Very high	127 Å²	127	18.8 Å²	18.8	59%	0.593	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-36.4	-176	-177.1	177.1	9.7	0	0	113.8	Q217	Q81-Q217 WeakPolarHBondContact CB-O 3.21Å; Q81-Q217 PolarHBondContact N-O 3.02Å
82	H	97.3	Very high	96.1	Very high	75 Å²	75	16 Å²	16	35%	0.347	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.4	-174.8	-49.1	95.4	0	0	0	114.2	F80 L219 P221 H250	F80-H82 HydrophobicContact CD2-CB 4.21Å; F80-H82 AromaticContact CD2-ND1 3.83Å; F80-H82 HydrophobicContact CE1-CB 4.35Å; F80-H82 HydrophobicContact CE2-CB 3.51Å; F80-H82 AromaticContact CE2-CG 3.88Å; F80-H82 AromaticContact CE2-ND1 3.48Å; F80-H82 WeakPolarHBondContact CE2-ND1 3.33Å; F80-H82 HydrophobicContact CZ-CB 3.59Å; F80-H82 PolarHBondContact O-N 2.81Å; F80-H82 VanDerWaalsContact O-N 3.08Å; H82-L219 PolarHBondContact CE1-O 3.35Å; H82-L219 PolarHBondContact ND1-O 3.14Å; H82-P221 HydrophobicContact CB-CG 4.34Å; H82-H250 PolarHBondContact O-NE2 2.81Å; H82-H250 VanDerWaalsContact O-NE2 3.12Å
83	G	97.4	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.3	-133.7	173.7	0	0	0	0	0	114.5	K79 F80 W176 M251	K79-G83 CarbonylContact C-O 3.47Å; K79-G83 WeakPolarHBondContact CA-O 3.29Å; F80-G83 WeakPolarHBondContact CD1-O 3.36Å; F80-G83 PolarHBondContact N-O 3.26Å; F80-G83 PolarHBondContact O-N 3.19Å; F80-G83 VanDerWaalsContact O-N 3.08Å; F80-G83 VanDerWaalsContact O-O 3.13Å; G83-W176 VanDerWaalsContact CA-CZ3 3.4Å; G83-M251 WeakPolarHBondContact CA-O 3.25Å
84	V	98.5	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.5	179	-165.8	0	0	0	0	109.4	F78 K79 V86 C174 P181 M251	F78-V84 WeakPolarHBondContact O-CA 3.43Å; F78-V84 WeakPolarHBondContact O-CG1 3.45Å; K79-V84 HydrophobicContact CG-CG2 4.1Å; V84-V86 HydrophobicContact CG1-CG2 4.49Å; V84-C174 HydrophobicContact CG1-CB 4.42Å; V84-P181 HydrophobicContact CG2-CB 3.63Å; V84-M251 HydrophobicContact CB-CB 3.95Å; V84-M251 HydrophobicContact CG2-CB 4.42Å; V84-M251 PolarHBondContact N-O 2.81Å; V84-M251 VanDerWaalsContact N-O 3.11Å; V84-M251 PolarHBondContact O-N 2.6Å
85	I	98.6	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.1	168.1	-58.1	-54	0	0	0	108.4	A77 F78 F80 A224 Y225 A228 M248 H250	A77-I85 CarbonylContact C-O 3.49Å; A77-I85 WeakPolarHBondContact CA-O 3.43Å; A77-I85 WeakPolarHBondContact CB-O 3.45Å; F78-I85 HydrophobicContact CE1-CB 4.09Å; F78-I85 HydrophobicContact CE1-CG2 4.27Å; F78-I85 HydrophobicContact CE2-CB 4.04Å; F78-I85 HydrophobicContact CE2-CG1 3.89Å; F78-I85 HydrophobicContact CZ-CB 3.81Å; F78-I85 HydrophobicContact CZ-CG1 3.9Å; F78-I85 HydrophobicContact CZ-CG2 4.21Å; F78-I85 PolarHBondContact N-O 3.45Å; F78-I85 PolarHBondContact O-N 3.01Å; F80-I85 HydrophobicContact CD1-CG1 4.14Å; F80-I85 HydrophobicContact CE1-CD1 3.67Å; F80-I85 HydrophobicContact CE1-CG1 3.64Å; F80-I85 HydrophobicContact CZ-CD1 3.96Å; F80-I85 HydrophobicContact CZ-CG1 4.2Å; I85-A224 HydrophobicContact CD1-CB 4.47Å; I85-A224 HydrophobicContact CG1-CB 3.97Å; I85-Y225 HydrophobicContact CD1-CD1 3.75Å; I85-Y225 HydrophobicContact CD1-CE1 3.59Å; I85-A228 HydrophobicContact CG2-CB 3.52Å; I85-M248 HydrophobicContact CG2-CG 4.08Å; I85-M248 HydrophobicContact CG2-SD 4.27Å; I85-H250 HydrophobicContact CD1-CB 3.97Å
86	V	98.7	Very high	95.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.6	171.7	-176.6	0	0	0	0	107.2	L76 A77 V84 V106 L114 T116 C174 M248 Y249	L76-V86 WeakPolarHBondContact O-CA 3.48Å; A77-V86 HydrophobicContact CB-CG2 4.11Å; V84-V86 HydrophobicContact CG1-CG2 4.49Å; V86-V106 HydrophobicContact CG1-CG2 4.11Å; V86-L114 HydrophobicContact CG2-CD1 4.38Å; V86-T116 HydrophobicContact CG1-CG2 3.56Å; V86-C174 HydrophobicContact CG2-CB 3.86Å; V86-C174 VanDerWaalsContact CG2-SG 3.53Å; V86-M248 CarbonylContact O-C 3.57Å; V86-M248 WeakPolarHBondContact O-CA 3.46Å; V86-Y249 PolarHBondContact N-O 3.48Å; V86-Y249 PolarHBondContact O-N 3.41Å
87	A	98.6	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.8	176.9	0	0	0	0	0	110.5	L76 A228 I232 N247 M248	L76-A87 HydrophobicContact CD1-CB 3.84Å; L76-A87 HydrophobicContact CG-CB 4.09Å; L76-A87 PolarHBondContact N-O 2.87Å; L76-A87 PolarHBondContact O-N 2.99Å; A87-A228 HydrophobicContact CB-CB 4.06Å; A87-I232 HydrophobicContact CB-CD1 4.44Å; A87-I232 HydrophobicContact CB-CG1 3.77Å; A87-N247 WeakPolarHBondContact CA-O 3.32Å; A87-M248 HydrophobicContact CB-CG 4.2Å
88	V	98.5	Very high	95.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.5	-178.1	-54	0	0	0	0	110.7	T74 T75 K105 V106 T116 N247	T74-V88 WeakPolarHBondContact O-CA 3.44Å; T75-V88 HydrophobicContact CG2-CB 4.02Å; T75-V88 HydrophobicContact CG2-CG1 3.55Å; V88-K105 HydrophobicContact CB-CB 4.01Å; V88-K105 HydrophobicContact CG1-CB 4.37Å; V88-K105 HydrophobicContact CG2-CB 3.86Å; V88-V106 HydrophobicContact CB-CG2 4.37Å; V88-V106 HydrophobicContact CG1-CG2 3.68Å; V88-V106 HydrophobicContact CG2-CG2 3.68Å; V88-T116 HydrophobicContact CG1-CG2 4.41Å; V88-N247 HydrophobicContact CG2-CB 3.84Å; V88-N247 PolarHBondContact N-O 3.3Å; V88-N247 PolarHBondContact O-N 3.47Å
89	D	98	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.			trans	-76.1	178.9	162.6	89.9	-61.3	0	0	0	110.9	T73 T74 R91 K105 I232 T236 S242 G243 V245	T73-D89 WeakPolarHBondContact CA-OD1 3.28Å; T74-D89 PolarHBondContact N-OD1 2.98Å; T74-D89 PolarHBondContact O-N 3.11Å; D89-R91 PolarHBondContact OD2-N 3.25Å; D89-R91 VanDerWaalsContact OD2-N 3.14Å; D89-K105 VanDerWaalsContact CG-NZ 3.27Å; D89-K105 WeakPolarHBondContact O-CD 3.23Å; D89-K105 IonicContact OD1-NZ 2.73Å; D89-K105 PolarHBondContact OD1-NZ 3.29Å; D89-K105 IonicContact OD2-NZ 3.12Å; D89-K105 PolarHBondContact OD2-NZ 2.96Å; D89-K105 VanDerWaalsContact OD2-NZ 3.12Å; D89-I232 HydrophobicContact CB-CG2 4.13Å; D89-T236 HydrophobicContact CB-CG2 3.92Å; D89-S242 WeakPolarHBondContact OD2-CA 3.49Å; D89-G243 PolarHBondContact OD2-N 2.91Å; D89-V245 CarbonylContact C-O 3.54Å
90	S	97.3	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.247	C	C	.	.			trans	-130	2.3	-175.8	72.6	0	0	0	0	115.4	I101 V103 G243 V245	S90-I101 CarbonylContact C-O 3.58Å; S90-I101 WeakPolarHBondContact CB-O 3.34Å; S90-I101 CarbonylContact O-C 3.37Å; S90-I101 PolarHBondContact OG-O 3.36Å; S90-V103 VanDerWaalsContact CA-O 3.28Å; S90-V103 WeakPolarHBondContact CA-O 3.49Å; S90-V103 WeakPolarHBondContact CB-O 3.3Å; S90-V103 WeakPolarHBondContact O-CB 3.46Å; S90-V103 PolarHBondContact O-N 3.48Å; S90-G243 PolarHBondContact N-O 3.33Å; S90-V245 PolarHBondContact N-O 3.37Å; S90-V245 WeakPolarHBondContact OG-CG2 3.08Å; S90-V245 PolarHBondContact OG-N 2.79Å
91	R	96.1	Very high	94.7	Very high	59 Å²	59	46.9 Å²	46.9	22%	0.223	27%	0.269	C	S	.	.			trans	-75	132.5	-178.4	178.2	173.3	-71.5	173.2	2.9	110.9	D89 I98 K105 S240 Y241 S242 G243	D89-R91 PolarHBondContact OD2-N 3.25Å; D89-R91 VanDerWaalsContact OD2-N 3.14Å; R91-I98 HydrophobicContact CG-CG2 4.08Å; R91-K105 WeakPolarHBondContact O-CE 3.5Å; R91-K105 PolarHBondContact O-NZ 3.21Å; R91-S240 PolarHBondContact NH1-O 3Å; R91-Y241 WeakPolarHBondContact CD-O 3.13Å; R91-S242 PolarHBondContact NH1-O 2.95Å; R91-G243 PolarHBondContact N-O 3.14Å
92	A	93.9	Very high	94.7	Very high	28 Å²	28	49.3 Å²	49.3	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.7	166.7	0	0	0	0	0	109.5	A99 T100 V103	A92-A99 PolarHBondContact O-N 3.14Å; A92-T100 PolarHBondContact N-O 3.07Å; A92-T100 PolarHBondContact O-N 3.25Å; A92-T100 VanDerWaalsContact O-N 3.14Å; A92-V103 HydrophobicContact CB-CB 4.5Å; A92-V103 HydrophobicContact CB-CG2 3.65Å
93	S	90.3	Very high	94.6	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.3	-179.7	53.9	0	0	0	0	111.5	Y97	S93-Y97 CarbonylContact C-O 3.21Å; S93-Y97 WeakPolarHBondContact CA-O 3.35Å
94	A	88.3	Confident	94.3	Very high	65 Å²	65	50.6 Å²	50.6	54%	0.537	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	89.2	167.6	0	0	0	0	0	107.4	Y97 A99	A94-Y97 PolarHBondContact N-O 3.02Å; A94-Y97 PolarHBondContact O-N 3.33Å; A94-A99 HydrophobicContact CB-CB 4.34Å
95	G	86.3	Confident	94.3	Very high	35 Å²	35	50.8 Å²	50.8	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	-131.1	-164.8	0	0	0	0	0	111	Y97	G95-Y97 VanDerWaalsContact C-N 3.34Å
96	S	88.1	Confident	94.2	Very high	123 Å²	123	51 Å²	51	86%	0.86	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-14.9	176.1	57	0	0	0	0	114
97	Y	91.3	Very high	94.1	Very high	167 Å²	167	52.6 Å²	52.6	66%	0.655	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.8	179.8	178.9	-106.3	0	0	0	111.1	S93 A94 G95 A99	S93-Y97 CarbonylContact C-O 3.21Å; S93-Y97 WeakPolarHBondContact CA-O 3.35Å; A94-Y97 PolarHBondContact N-O 3.02Å; A94-Y97 PolarHBondContact O-N 3.33Å; G95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-A99 PolarHBondContact O-N 3.34Å
98	I	93.6	Very high	94.1	Very high	66 Å²	66	57 Å²	57	34%	0.338	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	102.9	173	-60.7	169.7	0	0	0	108.2	R91 I101	R91-I98 HydrophobicContact CG-CG2 4.08Å; I98-I101 HydrophobicContact CG2-CG1 4Å
99	A	93.4	Very high	94	Very high	48 Å²	48	57.6 Å²	57.6	40%	0.397	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-39.5	-179.9	0	0	0	0	0	112.2	A92 A94 Y97	A92-A99 PolarHBondContact O-N 3.14Å; A94-A99 HydrophobicContact CB-CB 4.34Å; Y97-A99 PolarHBondContact O-N 3.34Å
100	T	94.6	Very high	93.8	Very high	70 Å²	70	59.7 Å²	59.7	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	137.4	177.6	-64.1	0	0	0	0	110.4	A92 V103	A92-T100 PolarHBondContact N-O 3.07Å; A92-T100 PolarHBondContact O-N 3.25Å; A92-T100 VanDerWaalsContact O-N 3.14Å; T100-V103 HydrophobicContact CG2-CG2 3.63Å
101	I	94.9	Very high	93.7	Very high	96 Å²	96	63.7 Å²	63.7	49%	0.492	35%	0.354	S	S	.	.	S	Bend	trans	-84.2	-31	-179.1	-60.6	171.2	0	0	0	111.6	S90 I98	S90-I101 CarbonylContact C-O 3.58Å; S90-I101 WeakPolarHBondContact CB-O 3.34Å; S90-I101 CarbonylContact O-C 3.37Å; S90-I101 PolarHBondContact OG-O 3.36Å; I98-I101 HydrophobicContact CG2-CG1 4Å
102	R	95.2	Very high	93.8	Very high	179 Å²	179	65 Å²	65	68%	0.675	36%	0.359	S	S	*	.			trans	-123.1	70	-170.6	-65.4	-176	176.5	178.2	-1.8	112.6	V245 D263	R102-V245 HydrophobicContact CG-CG1 4.24Å; R102-D263 IonicContact NH2-OD2 3.83Å
103	V	94.8	Very high	93.9	Very high	34 Å²	34	63.9 Å²	63.9	21%	0.206	35%	0.35	C	S	.	.			trans	-93.4	132.3	168.5	179.6	0	0	0	0	109.7	S90 A92 T100 K105 M117	S90-V103 VanDerWaalsContact CA-O 3.28Å; S90-V103 WeakPolarHBondContact CA-O 3.49Å; S90-V103 WeakPolarHBondContact CB-O 3.3Å; S90-V103 WeakPolarHBondContact O-CB 3.46Å; S90-V103 PolarHBondContact O-N 3.48Å; A92-V103 HydrophobicContact CB-CB 4.5Å; A92-V103 HydrophobicContact CB-CG2 3.65Å; T100-V103 HydrophobicContact CG2-CG2 3.63Å; V103-K105 HydrophobicContact CG1-CG 4.39Å; V103-K105 PolarHBondContact O-N 2.83Å; V103-M117 HydrophobicContact CG1-CE 3.58Å
104	N	91.8	Very high	94.3	Very high	68 Å²	68	62.7 Å²	62.7	36%	0.364	34%	0.342	S	S	.	.			trans	-78.2	111.2	171.2	-171.7	11.3	0	0	0	109.6	V106	N104-V106 PolarHBondContact ND2-O 3.09Å; N104-V106 PolarHBondContact OD1-N 3.4Å; N104-V106 PolarHBondContact OD1-O 3.02Å
105	K	97.2	Very high	94.8	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.017	32%	0.316	C	S	.	.			trans	-95.2	9.3	179.4	-55.6	-175.1	-170.9	174.2	0	113.7	G72 T73 V88 D89 R91 V103 T116 M117	G72-K105 PolarHBondContact O-NZ 3.17Å; T73-K105 HydrophobicContact CG2-CD 3.63Å; T73-K105 PolarHBondContact OG1-NZ 2.85Å; V88-K105 HydrophobicContact CB-CB 4.01Å; V88-K105 HydrophobicContact CG1-CB 4.37Å; V88-K105 HydrophobicContact CG2-CB 3.86Å; D89-K105 VanDerWaalsContact CG-NZ 3.27Å; D89-K105 WeakPolarHBondContact O-CD 3.23Å; D89-K105 IonicContact OD1-NZ 2.73Å; D89-K105 PolarHBondContact OD1-NZ 3.29Å; D89-K105 IonicContact OD2-NZ 3.12Å; D89-K105 PolarHBondContact OD2-NZ 2.96Å; D89-K105 VanDerWaalsContact OD2-NZ 3.12Å; R91-K105 WeakPolarHBondContact O-CE 3.5Å; R91-K105 PolarHBondContact O-NZ 3.21Å; V103-K105 HydrophobicContact CG1-CG 4.39Å; V103-K105 PolarHBondContact O-N 2.83Å; K105-T116 CarbonylContact O-C 3.58Å; K105-T116 WeakPolarHBondContact O-CA 3.49Å; K105-M117 HydrophobicContact CB-CB 4.24Å; K105-M117 HydrophobicContact CB-CE 4.35Å; K105-M117 HydrophobicContact CG-CE 3.95Å; K105-M117 PolarHBondContact O-N 3.06Å
106	V	97.8	Very high	95.4	Very high	3 Å²	3	58 Å²	58	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.9	165.8	-177.8	0	0	0	0	108.4	V86 V88 N104 L114 G115 Y249	V86-V106 HydrophobicContact CG1-CG2 4.11Å; V88-V106 HydrophobicContact CB-CG2 4.37Å; V88-V106 HydrophobicContact CG1-CG2 3.68Å; V88-V106 HydrophobicContact CG2-CG2 3.68Å; N104-V106 PolarHBondContact ND2-O 3.09Å; N104-V106 PolarHBondContact OD1-N 3.4Å; N104-V106 PolarHBondContact OD1-O 3.02Å; V106-L114 HydrophobicContact CG1-CB 4.18Å; V106-L114 HydrophobicContact CG1-CD1 4.23Å; V106-L114 HydrophobicContact CG1-CD2 3.85Å; V106-L114 HydrophobicContact CG1-CG 4.31Å; V106-G115 CarbonylContact C-O 3.49Å; V106-G115 WeakPolarHBondContact CA-O 3.42Å; V106-Y249 HydrophobicContact CB-CD2 4.06Å; V106-Y249 HydrophobicContact CB-CE2 3.8Å; V106-Y249 HydrophobicContact CG1-CD2 3.99Å; V106-Y249 HydrophobicContact CG1-CE2 4Å; V106-Y249 HydrophobicContact CG1-CG 4.28Å; V106-Y249 HydrophobicContact CG2-CD2 3.86Å; V106-Y249 HydrophobicContact CG2-CE2 3.96Å
107	I	96.8	Very high	95.7	Very high	34 Å²	34	52.5 Å²	52.5	17%	0.174	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.5	174.9	-59.7	177.6	0	0	0	108.1	I109 G115 Q125 E128	I107-I109 VanDerWaalsContact C-N 3.32Å; I107-I109 HydrophobicContact CG2-CG1 4.29Å; I107-I109 PolarHBondContact O-N 2.88Å; I107-G115 PolarHBondContact N-O 2.95Å; I107-G115 PolarHBondContact O-N 3.4Å; I107-Q125 HydrophobicContact CD1-CG 4.2Å; I107-E128 VanDerWaalsContact CB-OE2 3.3Å; I107-E128 WeakPolarHBondContact CB-OE2 3.44Å; I107-E128 HydrophobicContact CD1-CB 3.85Å; I107-E128 HydrophobicContact CD1-CG 4.27Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.32Å; I107-E128 HydrophobicContact CG2-CB 4.16Å
108	E	97.4	Very high	95.9	Very high	92 Å²	92	44.8 Å²	44.8	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	77.3	178.6	-64	170	-169	0	0	109.7	N110 L114 Y249 W256	E108-N110 VanDerWaalsContact C-N 3.28Å; E108-N110 PolarHBondContact O-N 3.24Å; E108-L114 HydrophobicContact CB-CD2 4.44Å; E108-L114 HydrophobicContact CG-CD2 4.03Å; E108-Y249 HydrophobicContact CG-CE1 4.17Å; E108-Y249 WeakPolarHBondContact OE1-CE1 3.24Å; E108-Y249 PolarHBondContact OE1-OH 3.35Å; E108-W256 HydrophobicContact CB-CH2 4.45Å; E108-W256 HydrophobicContact CB-CZ2 3.78Å; E108-W256 VanDerWaalsContact CD-CZ2 3.46Å; E108-W256 HydrophobicContact CG-CH2 3.8Å; E108-W256 HydrophobicContact CG-CZ2 3.54Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.41Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.45Å
109	I	96.1	Very high	95.8	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	-44.4	-175.5	-60.1	166	0	0	0	110.8	I107 L113 L131 A132 I173	I107-I109 VanDerWaalsContact C-N 3.32Å; I107-I109 HydrophobicContact CG2-CG1 4.29Å; I107-I109 PolarHBondContact O-N 2.88Å; I109-L113 HydrophobicContact CB-CB 4.34Å; I109-L113 HydrophobicContact CB-CD2 4.32Å; I109-L113 HydrophobicContact CD1-CD2 4.05Å; I109-L113 HydrophobicContact CD1-CG 4.22Å; I109-L113 HydrophobicContact CG2-CD2 3.95Å; I109-L113 PolarHBondContact N-O 2.84Å; I109-L131 HydrophobicContact CD1-CD2 3.88Å; I109-A132 HydrophobicContact CG2-CB 3.69Å; I109-A132 WeakPolarHBondContact O-CB 3.44Å; I109-I173 HydrophobicContact CD1-CD1 3.96Å
110	N	94.1	Very high	95.7	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.241	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	175.7	168.7	63.9	63.2	0	0	0	109.6	E108 Y112 L113 W256	E108-N110 VanDerWaalsContact C-N 3.28Å; E108-N110 PolarHBondContact O-N 3.24Å; N110-Y112 PolarHBondContact O-N 3.49Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.41Å; N110-Y112 PolarHBondContact OD1-N 2.99Å; N110-L113 PolarHBondContact N-O 3.1Å; N110-L113 WeakPolarHBondContact ND2-CB 3.41Å; N110-L113 PolarHBondContact O-N 3.17Å; N110-L113 WeakPolarHBondContact OD1-CB 3.13Å; N110-L113 PolarHBondContact OD1-N 3.2Å; N110-W256 PolarHBondContact O-NE1 3.45Å
111	P	96.2	Very high	95.6	Very high	84 Å²	84	41 Å²	41	55%	0.545	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-10.9	-178.8	-27.8	37.1	0	0	0	116.5	G255 W256	P111-G255 WeakPolarHBondContact O-CA 3.34Å; P111-W256 VanDerWaalsContact C-CD1 3.43Å; P111-W256 PolarHBondContact O-N 3.45Å; P111-W256 VanDerWaalsContact O-N 3.14Å
112	Y	97	Very high	95.5	Very high	85 Å²	85	39.6 Å²	39.6	33%	0.333	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	5.6	-176.9	-53.1	-78.6	0	0	0	113.6	N110 R145 G175 D254	N110-Y112 PolarHBondContact O-N 3.49Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.41Å; N110-Y112 PolarHBondContact OD1-N 2.99Å; Y112-R145 VanDerWaalsContact CD2-NH1 3.34Å; Y112-R145 VanDerWaalsContact CE2-NH1 3.34Å; Y112-G175 VanDerWaalsContact O-CA 3.3Å; Y112-G175 WeakPolarHBondContact O-CA 3.47Å; Y112-D254 WeakPolarHBondContact CE1-O 3.31Å
113	L	97.8	Very high	95.4	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	125.7	-177.3	-160.3	75.3	0	0	0	109.8	I109 N110 V148 A151 I173 C174	I109-L113 HydrophobicContact CB-CB 4.34Å; I109-L113 HydrophobicContact CB-CD2 4.32Å; I109-L113 HydrophobicContact CD1-CD2 4.05Å; I109-L113 HydrophobicContact CD1-CG 4.22Å; I109-L113 HydrophobicContact CG2-CD2 3.95Å; I109-L113 PolarHBondContact N-O 2.84Å; N110-L113 PolarHBondContact N-O 3.1Å; N110-L113 WeakPolarHBondContact ND2-CB 3.41Å; N110-L113 PolarHBondContact O-N 3.17Å; N110-L113 WeakPolarHBondContact OD1-CB 3.13Å; N110-L113 PolarHBondContact OD1-N 3.2Å; L113-V148 HydrophobicContact CD1-CB 4.38Å; L113-V148 HydrophobicContact CD1-CG1 4Å; L113-V148 HydrophobicContact CD1-CG2 4.14Å; L113-A151 HydrophobicContact CD2-CB 3.65Å; L113-I173 HydrophobicContact CD1-CG2 3.76Å; L113-I173 HydrophobicContact CD2-CG2 4.17Å; L113-I173 HydrophobicContact CG-CG2 4.08Å; L113-C174 CarbonylContact C-O 3.45Å; L113-C174 WeakPolarHBondContact CA-O 3.41Å; L113-C174 WeakPolarHBondContact CD1-O 3.37Å
114	L	98.5	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.2	173.3	-64	175.3	0	0	0	109.3	V86 V106 E108 C174 Y249 M251 W256	V86-L114 HydrophobicContact CG2-CD1 4.38Å; V106-L114 HydrophobicContact CG1-CB 4.18Å; V106-L114 HydrophobicContact CG1-CD1 4.23Å; V106-L114 HydrophobicContact CG1-CD2 3.85Å; V106-L114 HydrophobicContact CG1-CG 4.31Å; E108-L114 HydrophobicContact CB-CD2 4.44Å; E108-L114 HydrophobicContact CG-CD2 4.03Å; L114-C174 HydrophobicContact CB-CB 4.39Å; L114-C174 PolarHBondContact N-O 2.81Å; L114-C174 PolarHBondContact O-N 3.16Å; L114-Y249 HydrophobicContact CD1-CD1 3.93Å; L114-Y249 HydrophobicContact CD1-CG 3.97Å; L114-Y249 HydrophobicContact CD2-CD1 4.21Å; L114-Y249 HydrophobicContact CD2-CE1 4.49Å; L114-M251 HydrophobicContact CB-CE 4.29Å; L114-M251 HydrophobicContact CD1-CE 3.95Å; L114-M251 HydrophobicContact CG-CE 3.69Å; L114-W256 HydrophobicContact CD1-CB 3.81Å; L114-W256 HydrophobicContact CD1-CG 4.04Å; L114-W256 HydrophobicContact CD2-CB 4.38Å; L114-W256 HydrophobicContact CD2-CD2 3.9Å; L114-W256 HydrophobicContact CD2-CG 3.69Å; L114-W256 HydrophobicContact CG-CB 4.12Å; L114-W256 HydrophobicContact CG-CG 3.89Å
115	G	98.2	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.8	166.3	0	0	0	0	0	110.8	V106 I107 E128 M172	V106-G115 CarbonylContact C-O 3.49Å; V106-G115 WeakPolarHBondContact CA-O 3.42Å; I107-G115 PolarHBondContact N-O 2.95Å; I107-G115 PolarHBondContact O-N 3.4Å; G115-E128 WeakPolarHBondContact CA-OE2 3.36Å; G115-M172 WeakPolarHBondContact CA-O 3.49Å
116	T	97.9	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.1	-179.8	64.3	0	0	0	0	110.5	V86 V88 K105 S171 M172	V86-T116 HydrophobicContact CG1-CG2 3.56Å; V88-T116 HydrophobicContact CG1-CG2 4.41Å; K105-T116 CarbonylContact O-C 3.58Å; K105-T116 WeakPolarHBondContact O-CA 3.49Å; T116-S171 PolarHBondContact N-OG 3.45Å; T116-S171 VanDerWaalsContact O-CA 3.28Å; T116-S171 WeakPolarHBondContact O-CA 3.25Å; T116-S171 VanDerWaalsContact O-CB 3.25Å; T116-S171 WeakPolarHBondContact O-CB 3.22Å; T116-S171 PolarHBondContact O-OG 3.44Å; T116-M172 HydrophobicContact CG2-CB 4.07Å; T116-M172 HydrophobicContact CG2-CE 3.9Å; T116-M172 PolarHBondContact N-O 3.19Å; T116-M172 WeakPolarHBondContact OG1-CB 3.28Å; T116-M172 PolarHBondContact OG1-N 3.4Å
117	M	96.1	Very high	95.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.039	21%	0.206	C	C	.	.			trans	-97.5	112.7	179.9	173.8	165.8	74	0	0	110.8	V103 K105 A121 C124 Q125	V103-M117 HydrophobicContact CG1-CE 3.58Å; K105-M117 HydrophobicContact CB-CB 4.24Å; K105-M117 HydrophobicContact CB-CE 4.35Å; K105-M117 HydrophobicContact CG-CE 3.95Å; K105-M117 PolarHBondContact O-N 3.06Å; M117-A121 HydrophobicContact CE-CB 4.38Å; M117-A121 VanDerWaalsContact SD-CA 3.6Å; M117-A121 HydrophobicContact SD-CB 3.84Å; M117-C124 HydrophobicContact CB-CB 3.91Å; M117-C124 HydrophobicContact CG-CB 3.5Å; M117-C124 VanDerWaalsContact CG-CB 3.5Å; M117-C124 HydrophobicContact SD-CB 4.03Å; M117-Q125 HydrophobicContact SD-CG 3.87Å
118	S	94.3	Very high	95.5	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	20%	0.198	C	C	.	.			trans	-138.8	141.6	163.9	77.7	0	0	0	0	110.8	C124 M169 G170 T200	S118-C124 PolarHBondContact O-SG 2.75Å; S118-C124 VanDerWaalsContact O-SG 3.34Å; S118-M169 WeakPolarHBondContact O-CA 3.42Å; S118-G170 WeakPolarHBondContact CB-O 3.47Å; S118-G170 PolarHBondContact N-O 3.39Å; S118-G170 PolarHBondContact O-N 3.44Å; S118-G170 PolarHBondContact OG-O 3.35Å; S118-T200 VanDerWaalsContact CB-OG1 3.25Å; S118-T200 WeakPolarHBondContact CB-OG1 3.34Å; S118-T200 WeakPolarHBondContact OG-CB 3.39Å; S118-T200 PolarHBondContact OG-OG1 3.44Å
119	G	92.2	Very high	95.5	Very high	16 Å²	16	40.8 Å²	40.8	17%	0.165	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	103.5	-144	-168.3	0	0	0	0	0	111.5	A121	G119-A121 PolarHBondContact O-N 3.21Å
120	C	91.6	Very high	95.5	Very high	45 Å²	45	41.3 Å²	41.3	30%	0.304	22%	0.216	S	C	.	.			trans	-68.7	122.1	175.8	178.7	0	0	0	0	110.4	A122 D123 C124 S168	C120-A122 VanDerWaalsContact C-N 3.27Å; C120-A122 PolarHBondContact O-N 3.26Å; C120-D123 HydrophobicContact CB-CB 4Å; C120-D123 VanDerWaalsContact CB-OD2 3.28Å; C120-D123 WeakPolarHBondContact CB-OD2 3.35Å; C120-D123 PolarHBondContact O-N 2.89Å; C120-C124 PolarHBondContact O-N 3.4Å; C120-C124 VanDerWaalsContact O-N 3.17Å; C120-C124 PolarHBondContact O-SG 3.1Å; C120-S168 WeakPolarHBondContact CB-O 3.13Å; C120-S168 PolarHBondContact N-O 2.95Å
121	A	92.3	Very high	95.7	Very high	45 Å²	45	39.2 Å²	39.2	37%	0.372	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-36	-177.7	0	0	0	0	0	112.6	M117 G119 Q125	M117-A121 HydrophobicContact CE-CB 4.38Å; M117-A121 VanDerWaalsContact SD-CA 3.6Å; M117-A121 HydrophobicContact SD-CB 3.84Å; G119-A121 PolarHBondContact O-N 3.21Å; A121-Q125 WeakPolarHBondContact O-CB 3.17Å; A121-Q125 VanDerWaalsContact O-CG 3.22Å; A121-Q125 WeakPolarHBondContact O-CG 3.21Å; A121-Q125 PolarHBondContact O-N 2.65Å; A121-Q125 VanDerWaalsContact O-N 3.13Å
122	A	92.6	Very high	95.7	Very high	65 Å²	65	36.4 Å²	36.4	54%	0.537	19%	0.189	S	C	.	.	H	α-helix	trans	-67.6	-43.4	178.9	0	0	0	0	0	111.8	C120 Q125 Y126	C120-A122 VanDerWaalsContact C-N 3.27Å; C120-A122 PolarHBondContact O-N 3.26Å; A122-Q125 PolarHBondContact O-N 2.77Å; A122-Y126 VanDerWaalsContact O-CB 3.29Å; A122-Y126 WeakPolarHBondContact O-CB 3.22Å; A122-Y126 PolarHBondContact O-N 3.19Å
123	D	93.5	Very high	95.7	Very high	32 Å²	32	37.4 Å²	37.4	17%	0.171	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-50.4	-179.4	-63.7	-12.8	0	0	0	110.6	C120 Q125 Y126 W127 L167 S168	C120-D123 HydrophobicContact CB-CB 4Å; C120-D123 VanDerWaalsContact CB-OD2 3.28Å; C120-D123 WeakPolarHBondContact CB-OD2 3.35Å; C120-D123 PolarHBondContact O-N 2.89Å; D123-Q125 PolarHBondContact O-N 3.47Å; D123-Y126 PolarHBondContact O-N 3.45Å; D123-W127 WeakPolarHBondContact O-CB 3.39Å; D123-W127 PolarHBondContact O-N 3.08Å; D123-L167 WeakPolarHBondContact OD2-CA 3.47Å; D123-S168 PolarHBondContact OD2-N 3.45Å
124	C	95.1	Very high	95.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-49.7	178.7	-59.3	0	0	0	0	111.1	M117 S118 C120 Y126 E128 M169	M117-C124 HydrophobicContact CB-CB 3.91Å; M117-C124 HydrophobicContact CG-CB 3.5Å; M117-C124 VanDerWaalsContact CG-CB 3.5Å; M117-C124 HydrophobicContact SD-CB 4.03Å; S118-C124 PolarHBondContact O-SG 2.75Å; S118-C124 VanDerWaalsContact O-SG 3.34Å; C120-C124 PolarHBondContact O-N 3.4Å; C120-C124 VanDerWaalsContact O-N 3.17Å; C120-C124 PolarHBondContact O-SG 3.1Å; C124-Y126 PolarHBondContact O-N 2.88Å; C124-E128 VanDerWaalsContact O-CB 3.24Å; C124-E128 WeakPolarHBondContact O-CB 3.09Å; C124-E128 WeakPolarHBondContact O-CG 3.12Å; C124-E128 PolarHBondContact O-N 2.77Å; C124-M169 HydrophobicContact CB-CG 4.41Å; C124-M169 VanDerWaalsContact SG-CG 3.53Å
125	Q	95.4	Very high	95.6	Very high	101 Å²	101	39.7 Å²	39.7	47%	0.472	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-43	-179.2	-74.7	176.8	40.8	0	0	112.6	I107 M117 A121 A122 D123 R129	I107-Q125 HydrophobicContact CD1-CG 4.2Å; M117-Q125 HydrophobicContact SD-CG 3.87Å; A121-Q125 WeakPolarHBondContact O-CB 3.17Å; A121-Q125 VanDerWaalsContact O-CG 3.22Å; A121-Q125 WeakPolarHBondContact O-CG 3.21Å; A121-Q125 PolarHBondContact O-N 2.65Å; A121-Q125 VanDerWaalsContact O-N 3.13Å; A122-Q125 PolarHBondContact O-N 2.77Å; D123-Q125 PolarHBondContact O-N 3.47Å; Q125-R129 WeakPolarHBondContact O-CB 3.37Å; Q125-R129 PolarHBondContact O-N 2.99Å; Q125-R129 VanDerWaalsContact O-N 3.12Å
126	Y	95.9	Very high	95.6	Very high	95 Å²	95	46.8 Å²	46.8	37%	0.373	23%	0.233	S	C	.	.	H	α-helix	trans	-66	-53.5	-179.4	-179.7	-91.4	0	0	0	111.2	A122 D123 C124 R129 L130	A122-Y126 VanDerWaalsContact O-CB 3.29Å; A122-Y126 WeakPolarHBondContact O-CB 3.22Å; A122-Y126 PolarHBondContact O-N 3.19Å; D123-Y126 PolarHBondContact O-N 3.45Å; C124-Y126 PolarHBondContact O-N 2.88Å; Y126-R129 PolarHBondContact O-N 2.9Å; Y126-L130 PolarHBondContact O-N 3.06Å
127	W	96.6	Very high	95.5	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.038	25%	0.246	C	C	.	.	H	α-helix	trans	-71.3	-36	-173.5	-72.3	115.4	0	0	0	112.9	D123 L130 L131 L155 M158 M159 Y162 L167	D123-W127 WeakPolarHBondContact O-CB 3.39Å; D123-W127 PolarHBondContact O-N 3.08Å; W127-L130 HydrophobicContact CE3-CD2 3.7Å; W127-L130 HydrophobicContact CZ3-CD2 3.52Å; W127-L130 PolarHBondContact O-N 3.08Å; W127-L131 WeakPolarHBondContact O-CB 3.35Å; W127-L131 PolarHBondContact O-N 3.31Å; W127-L155 HydrophobicContact CB-CD1 3.99Å; W127-M158 HydrophobicContact CE3-CB 3.85Å; W127-M158 HydrophobicContact CE3-CG 4.32Å; W127-M158 HydrophobicContact CE3-SD 4.05Å; W127-M158 HydrophobicContact CZ3-CB 3.75Å; W127-M158 HydrophobicContact CZ3-CG 4.14Å; W127-M158 HydrophobicContact CZ3-SD 4.32Å; W127-M159 HydrophobicContact CB-CE 3.8Å; W127-M159 VanDerWaalsContact CD1-CE 3.48Å; W127-M159 HydrophobicContact CD2-CE 3.25Å; W127-M159 HydrophobicContact CE3-CE 3.76Å; W127-M159 HydrophobicContact CG-CE 3.24Å; W127-M159 HydrophobicContact CZ2-CE 4.32Å; W127-M159 HydrophobicContact CZ3-CE 4.48Å; W127-Y162 AromaticContact CH2-CD2 3.62Å; W127-Y162 HydrophobicContact CH2-CD2 3.62Å; W127-Y162 AromaticContact CH2-CE2 3.39Å; W127-Y162 HydrophobicContact CH2-CE2 3.39Å; W127-Y162 HydrophobicContact CH2-CG 4.45Å; W127-Y162 AromaticContact CZ2-CD2 3.69Å; W127-Y162 HydrophobicContact CZ2-CD2 3.69Å; W127-Y162 AromaticContact CZ2-CE2 3.84Å; W127-Y162 HydrophobicContact CZ2-CE2 3.84Å; W127-Y162 HydrophobicContact CZ2-CG 4.09Å; W127-Y162 HydrophobicContact CZ3-CE2 4.49Å; W127-L167 HydrophobicContact CZ2-CD1 4.44Å
128	E	97.2	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.4	-31.1	175	-67.6	-171.5	-154.2	0	0	112.5	I107 G115 C124 L131 A132 S171	I107-E128 VanDerWaalsContact CB-OE2 3.3Å; I107-E128 WeakPolarHBondContact CB-OE2 3.44Å; I107-E128 HydrophobicContact CD1-CB 3.85Å; I107-E128 HydrophobicContact CD1-CG 4.27Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.32Å; I107-E128 HydrophobicContact CG2-CB 4.16Å; G115-E128 WeakPolarHBondContact CA-OE2 3.36Å; C124-E128 VanDerWaalsContact O-CB 3.24Å; C124-E128 WeakPolarHBondContact O-CB 3.09Å; C124-E128 WeakPolarHBondContact O-CG 3.12Å; C124-E128 PolarHBondContact O-N 2.77Å; E128-L131 WeakPolarHBondContact O-CB 3.33Å; E128-L131 PolarHBondContact O-N 3.24Å; E128-A132 PolarHBondContact O-N 3.47Å; E128-S171 WeakPolarHBondContact OE1-CB 3.2Å; E128-S171 PolarHBondContact OE1-OG 3.28Å
129	R	96.8	Very high	95.7	Very high	201 Å²	201	57.2 Å²	57.2	76%	0.758	28%	0.276	S	S	*	.	H	α-helix	trans	-68.1	-37.2	169.9	-174.6	174.8	-176	166.2	1.8	111.8	Q125 Y126 A132 K133	Q125-R129 WeakPolarHBondContact O-CB 3.37Å; Q125-R129 PolarHBondContact O-N 2.99Å; Q125-R129 VanDerWaalsContact O-N 3.12Å; Y126-R129 PolarHBondContact O-N 2.9Å; R129-A132 WeakPolarHBondContact O-CB 3.48Å; R129-A132 PolarHBondContact O-N 3.11Å; R129-K133 PolarHBondContact O-N 2.81Å; R129-K133 VanDerWaalsContact O-N 3.1Å
130	L	96.5	Very high	96	Very high	25 Å²	25	62 Å²	62	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-41.8	172.1	-175.9	62	0	0	0	110.9	Y126 W127 A132 K133 E134 M158	Y126-L130 PolarHBondContact O-N 3.06Å; W127-L130 HydrophobicContact CE3-CD2 3.7Å; W127-L130 HydrophobicContact CZ3-CD2 3.52Å; W127-L130 PolarHBondContact O-N 3.08Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 2.94Å; L130-K133 HydrophobicContact CD1-CD 4.14Å; L130-K133 WeakPolarHBondContact O-CB 3.29Å; L130-K133 PolarHBondContact O-N 3.12Å; L130-E134 PolarHBondContact O-N 3.02Å; L130-M158 HydrophobicContact CD2-CE 4.47Å; L130-M158 HydrophobicContact CD2-SD 4.09Å; L130-M158 HydrophobicContact CG-CE 4.33Å; L130-M158 HydrophobicContact CG-SD 4.32Å
131	L	97.2	Very high	96.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-42.8	171.6	177.4	65.1	0	0	0	111.3	I109 W127 E128 K133 E134 C135 A151 L154 L155 I173	I109-L131 HydrophobicContact CD1-CD2 3.88Å; W127-L131 WeakPolarHBondContact O-CB 3.35Å; W127-L131 PolarHBondContact O-N 3.31Å; E128-L131 WeakPolarHBondContact O-CB 3.33Å; E128-L131 PolarHBondContact O-N 3.24Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 2.81Å; L131-E134 PolarHBondContact O-N 2.78Å; L131-C135 WeakPolarHBondContact O-CB 3.32Å; L131-C135 PolarHBondContact O-N 3Å; L131-C135 PolarHBondContact O-SG 2.88Å; L131-A151 HydrophobicContact CD1-CB 4.32Å; L131-A151 WeakPolarHBondContact CD1-O 3.46Å; L131-L154 HydrophobicContact CD1-CB 4.09Å; L131-L155 HydrophobicContact CD1-CB 4.48Å; L131-L155 HydrophobicContact CD2-CB 4.18Å; L131-L155 HydrophobicContact CD2-CD2 4.28Å; L131-I173 HydrophobicContact CD2-CD1 3.98Å
132	A	97.4	Very high	96.6	Very high	25 Å²	25	70.8 Å²	70.8	21%	0.207	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-43.7	175.9	0	0	0	0	0	112.1	I109 E128 R129 L130 C135 R136	I109-A132 HydrophobicContact CG2-CB 3.69Å; I109-A132 WeakPolarHBondContact O-CB 3.44Å; E128-A132 PolarHBondContact O-N 3.47Å; R129-A132 WeakPolarHBondContact O-CB 3.48Å; R129-A132 PolarHBondContact O-N 3.11Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 2.94Å; A132-C135 PolarHBondContact O-N 2.83Å; A132-R136 WeakPolarHBondContact O-CB 3.49Å; A132-R136 PolarHBondContact O-N 2.86Å
133	K	97.4	Very high	96.7	Very high	107 Å²	107	70.7 Å²	70.7	47%	0.465	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-49.9	174.1	173.9	-169.2	164	-164.2	0	111.4	R129 L130 L131 C135 R136 L137	R129-K133 PolarHBondContact O-N 2.81Å; R129-K133 VanDerWaalsContact O-N 3.1Å; L130-K133 HydrophobicContact CD1-CD 4.14Å; L130-K133 WeakPolarHBondContact O-CB 3.29Å; L130-K133 PolarHBondContact O-N 3.12Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 2.81Å; K133-C135 PolarHBondContact O-N 3.14Å; K133-R136 PolarHBondContact O-N 3.12Å; K133-L137 PolarHBondContact O-N 3.48Å
134	E	96.9	Very high	96.9	Very high	46 Å²	46	73.1 Å²	73.1	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-39.2	-180	-66.7	-52	135	0	0	112.2	L130 L131 R136 L137 Y138 L154 M158	L130-E134 PolarHBondContact O-N 3.02Å; L131-E134 PolarHBondContact O-N 2.78Å; E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 3.31Å; E134-L137 PolarHBondContact O-N 3.02Å; E134-Y138 WeakPolarHBondContact O-CB 3.3Å; E134-Y138 PolarHBondContact O-N 2.95Å; E134-L154 HydrophobicContact CB-CD1 4.49Å; E134-M158 HydrophobicContact CB-CE 4.38Å; E134-M158 HydrophobicContact CG-CE 3.68Å
135	C	97.2	Very high	96.9	Very high	7 Å²	7	78.3 Å²	78.3	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-41.6	173.2	-66.6	0	0	0	0	111.7	L131 A132 K133 Y138 Y139 I146	L131-C135 WeakPolarHBondContact O-CB 3.32Å; L131-C135 PolarHBondContact O-N 3Å; L131-C135 PolarHBondContact O-SG 2.88Å; A132-C135 PolarHBondContact O-N 2.83Å; K133-C135 PolarHBondContact O-N 3.14Å; C135-Y138 PolarHBondContact O-N 2.85Å; C135-Y139 PolarHBondContact O-N 3.34Å; C135-Y139 VanDerWaalsContact O-N 3.11Å; C135-I146 HydrophobicContact CB-CG2 4Å
136	R	96.7	Very high	97	Very high	149 Å²	149	74.5 Å²	74.5	56%	0.562	34%	0.339	S	S	*	.	H	α-helix	trans	-67.8	-40.7	177.4	-176.3	58.1	172.6	159	-0.7	111.6	A132 K133 E134 Y139 L140	A132-R136 WeakPolarHBondContact O-CB 3.49Å; A132-R136 PolarHBondContact O-N 2.86Å; K133-R136 PolarHBondContact O-N 3.12Å; E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 3.31Å; R136-Y139 WeakPolarHBondContact O-CB 3.44Å; R136-Y139 PolarHBondContact O-N 3.01Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 3.19Å; R136-L140 VanDerWaalsContact O-N 3.09Å
137	L	97.5	Very high	97.1	Very high	51 Å²	51	71.7 Å²	71.7	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-40.9	175.6	-177.2	58.2	0	0	0	111.7	K133 E134 Y139 L140 R141	K133-L137 PolarHBondContact O-N 3.48Å; E134-L137 PolarHBondContact O-N 3.02Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.23Å; L137-L140 PolarHBondContact O-N 2.84Å; L137-R141 HydrophobicContact CD1-CG 4.38Å; L137-R141 WeakPolarHBondContact O-CG 3.26Å; L137-R141 PolarHBondContact O-N 3.36Å
138	Y	97.8	Very high	97.2	Very high	83 Å²	83	71.3 Å²	71.3	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-56.7	-45.3	172.8	-178.2	-82.2	0	0	0	111.4	E134 C135 R141 N142 E144 I146	E134-Y138 WeakPolarHBondContact O-CB 3.3Å; E134-Y138 PolarHBondContact O-N 2.95Å; C135-Y138 PolarHBondContact O-N 2.85Å; Y138-R141 PolarHBondContact O-N 2.88Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.4Å; Y138-N142 HydrophobicContact CE1-CB 4.27Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.45Å; Y138-N142 WeakPolarHBondContact O-CB 3.39Å; Y138-N142 PolarHBondContact O-N 2.92Å; Y138-N142 PolarHBondContact O-ND2 3.32Å; Y138-E144 WeakPolarHBondContact CD1-O 3.33Å; Y138-I146 HydrophobicContact CD1-CB 3.7Å; Y138-I146 HydrophobicContact CD1-CG1 4.14Å; Y138-I146 HydrophobicContact CD2-CD1 4.3Å; Y138-I146 HydrophobicContact CD2-CG1 4.39Å; Y138-I146 HydrophobicContact CE1-CB 4.08Å; Y138-I146 HydrophobicContact CE1-CG1 4.35Å; Y138-I146 HydrophobicContact CG-CB 4.1Å; Y138-I146 HydrophobicContact CG-CD1 4.18Å; Y138-I146 HydrophobicContact CG-CG1 4.17Å
139	Y	96.9	Very high	97.2	Very high	98 Å²	98	72.5 Å²	72.5	38%	0.384	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-44.9	177.4	178.7	-91.8	0	0	0	112.3	C135 R136 L137 R141 G143 E144 R145	C135-Y139 PolarHBondContact O-N 3.34Å; C135-Y139 VanDerWaalsContact O-N 3.11Å; R136-Y139 WeakPolarHBondContact O-CB 3.44Å; R136-Y139 PolarHBondContact O-N 3.01Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.23Å; Y139-R141 VanDerWaalsContact C-N 3.34Å; Y139-R141 PolarHBondContact O-N 3.18Å; Y139-G143 WeakPolarHBondContact O-CA 3.35Å; Y139-G143 PolarHBondContact O-N 2.92Å; Y139-E144 WeakPolarHBondContact CA-O 3.43Å; Y139-R145 HydrophobicContact CD2-CG 4.08Å; Y139-R145 HydrophobicContact CE2-CG 4.2Å
140	L	97.7	Very high	97.3	Very high	116 Å²	116	64.5 Å²	64.5	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-65.7	-35.8	179.6	-67.1	172.9	0	0	0	112.7	R136 L137	R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 3.19Å; R136-L140 VanDerWaalsContact O-N 3.09Å; L137-L140 PolarHBondContact O-N 2.84Å
141	R	97.8	Very high	97.4	Very high	183 Å²	183	63.3 Å²	63.3	69%	0.691	31%	0.311	S	S	*	.	H	α-helix	trans	-75.1	-39.7	-179.9	-73.9	173.9	171.5	162.3	-3.1	113.2	L137 Y138 Y139	L137-R141 HydrophobicContact CD1-CG 4.38Å; L137-R141 WeakPolarHBondContact O-CG 3.26Å; L137-R141 PolarHBondContact O-N 3.36Å; Y138-R141 PolarHBondContact O-N 2.88Å; Y139-R141 VanDerWaalsContact C-N 3.34Å; Y139-R141 PolarHBondContact O-N 3.18Å
142	N	97.7	Very high	97.4	Very high	93 Å²	93	63.3 Å²	63.3	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-104.8	-11.2	-170.3	-59.5	-73	0	0	0	113.7	Y138 E144	Y138-N142 WeakPolarHBondContact CD2-ND2 3.4Å; Y138-N142 HydrophobicContact CE1-CB 4.27Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.45Å; Y138-N142 WeakPolarHBondContact O-CB 3.39Å; Y138-N142 PolarHBondContact O-N 2.92Å; Y138-N142 PolarHBondContact O-ND2 3.32Å; N142-E144 PolarHBondContact O-N 3.25Å; N142-E144 VanDerWaalsContact O-N 3.16Å
143	G	96.6	Very high	97.4	Very high	62 Å²	62	66.4 Å²	66.4	64%	0.639	32%	0.32	S	S	*	.	S	Bend	trans	65.4	11.8	-172.3	0	0	0	0	0	113.7	Y139	Y139-G143 WeakPolarHBondContact O-CA 3.35Å; Y139-G143 PolarHBondContact O-N 2.92Å
144	E	96.4	Very high	97.4	Very high	84 Å²	84	64.2 Å²	64.2	39%	0.393	31%	0.313	S	S	.	.	S	Bend	trans	-133.8	145.9	-176.6	-160.2	-168.3	136.4	0	0	110.8	Y138 Y139 N142 K178	Y138-E144 WeakPolarHBondContact CD1-O 3.33Å; Y139-E144 WeakPolarHBondContact CA-O 3.43Å; N142-E144 PolarHBondContact O-N 3.25Å; N142-E144 VanDerWaalsContact O-N 3.16Å; E144-K178 WeakPolarHBondContact OE1-CE 3.43Å; E144-K178 IonicContact OE1-NZ 2.62Å; E144-K178 PolarHBondContact OE1-NZ 3.39Å; E144-K178 IonicContact OE2-NZ 2.81Å; E144-K178 PolarHBondContact OE2-NZ 3.13Å
145	R	95.7	Very high	97.5	Very high	108 Å²	108	62 Å²	62	41%	0.408	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-64.4	144.2	173.5	-62.9	-179.1	-62.1	177.5	3.3	110.9	Y112 Y139	Y112-R145 VanDerWaalsContact CD2-NH1 3.34Å; Y112-R145 VanDerWaalsContact CE2-NH1 3.34Å; Y139-R145 HydrophobicContact CD2-CG 4.08Å; Y139-R145 HydrophobicContact CE2-CG 4.2Å
146	I	97.4	Very high	97.5	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.108	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-67.2	146.2	174.3	-164.1	167.5	0	0	0	110.9	C135 Y138 A150 A151 L154	C135-I146 HydrophobicContact CB-CG2 4Å; Y138-I146 HydrophobicContact CD1-CB 3.7Å; Y138-I146 HydrophobicContact CD1-CG1 4.14Å; Y138-I146 HydrophobicContact CD2-CD1 4.3Å; Y138-I146 HydrophobicContact CD2-CG1 4.39Å; Y138-I146 HydrophobicContact CE1-CB 4.08Å; Y138-I146 HydrophobicContact CE1-CG1 4.35Å; Y138-I146 HydrophobicContact CG-CB 4.1Å; Y138-I146 HydrophobicContact CG-CD1 4.18Å; Y138-I146 HydrophobicContact CG-CG1 4.17Å; I146-A150 HydrophobicContact CD1-CB 4.05Å; I146-A150 HydrophobicContact CG1-CB 3.71Å; I146-A151 HydrophobicContact CD1-CB 4.27Å; I146-A151 HydrophobicContact CG2-CB 4.27Å; I146-L154 HydrophobicContact CD1-CD1 3.62Å
147	S	97.7	Very high	97.5	Very high	36 Å²	36	57.8 Å²	57.8	25%	0.252	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-74.7	154	171.3	73.2	0	0	0	0	111.3	S149 A150 A151 D177	S147-S149 PolarHBondContact O-N 3.28Å; S147-S149 PolarHBondContact OG-OG 3.3Å; S147-A150 PolarHBondContact O-N 2.91Å; S147-A150 VanDerWaalsContact O-N 3.13Å; S147-A150 VanDerWaalsContact OG-CB 3.28Å; S147-A150 WeakPolarHBondContact OG-CB 3.48Å; S147-A150 PolarHBondContact OG-N 2.82Å; S147-A151 PolarHBondContact O-N 3.34Å; S147-D177 WeakPolarHBondContact CB-OD2 3.32Å
148	V	98.2	Very high	97.4	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-35.2	177.1	-169.2	0	0	0	0	110.1	L113 A150 S152 I173 D177 Y184	L113-V148 HydrophobicContact CD1-CB 4.38Å; L113-V148 HydrophobicContact CD1-CG1 4Å; L113-V148 HydrophobicContact CD1-CG2 4.14Å; V148-A150 PolarHBondContact O-N 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.43Å; V148-S152 PolarHBondContact O-N 2.9Å; V148-S152 PolarHBondContact O-OG 2.88Å; V148-I173 HydrophobicContact CG1-CG2 4.12Å; V148-D177 HydrophobicContact CG2-CB 4.14Å; V148-D177 PolarHBondContact N-OD2 3.24Å; V148-Y184 HydrophobicContact CB-CE2 4.41Å; V148-Y184 HydrophobicContact CG1-CD2 3.85Å; V148-Y184 HydrophobicContact CG1-CE2 4.2Å
149	S	98	Very high	97.2	Very high	24 Å²	24	52.4 Å²	52.4	17%	0.168	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-38.6	176.1	72.2	0	0	0	0	113	S147 S152 K153 Y184 R192	S147-S149 PolarHBondContact O-N 3.28Å; S147-S149 PolarHBondContact OG-OG 3.3Å; S149-S152 PolarHBondContact O-OG 2.91Å; S149-K153 WeakPolarHBondContact O-CB 3.16Å; S149-K153 PolarHBondContact O-N 3.2Å; S149-Y184 VanDerWaalsContact CB-OH 3.25Å; S149-Y184 WeakPolarHBondContact CB-OH 3.2Å; S149-R192 PolarHBondContact O-NH2 2.94Å
150	A	98.1	Very high	97.1	Very high	33 Å²	33	51.4 Å²	51.4	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-74.6	-43.6	177.9	0	0	0	0	0	111.3	I146 S147 V148 S152 K153 L154	I146-A150 HydrophobicContact CD1-CB 4.05Å; I146-A150 HydrophobicContact CG1-CB 3.71Å; S147-A150 PolarHBondContact O-N 2.91Å; S147-A150 VanDerWaalsContact O-N 3.13Å; S147-A150 VanDerWaalsContact OG-CB 3.28Å; S147-A150 WeakPolarHBondContact OG-CB 3.48Å; S147-A150 PolarHBondContact OG-N 2.82Å; V148-A150 PolarHBondContact O-N 3.29Å; A150-S152 PolarHBondContact O-N 2.87Å; A150-K153 PolarHBondContact O-N 2.93Å; A150-K153 VanDerWaalsContact O-N 3.14Å; A150-L154 WeakPolarHBondContact O-CG 3.43Å; A150-L154 PolarHBondContact O-N 2.72Å
151	A	98.3	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-48.2	177.2	0	0	0	0	0	112.1	L113 L131 I146 S147 K153 L154 L155	L113-A151 HydrophobicContact CD2-CB 3.65Å; L131-A151 HydrophobicContact CD1-CB 4.32Å; L131-A151 WeakPolarHBondContact CD1-O 3.46Å; I146-A151 HydrophobicContact CD1-CB 4.27Å; I146-A151 HydrophobicContact CG2-CB 4.27Å; S147-A151 PolarHBondContact O-N 3.34Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.04Å; A151-L154 PolarHBondContact O-N 2.91Å; A151-L155 PolarHBondContact O-N 3.28Å; A151-L155 VanDerWaalsContact O-N 3.14Å
152	S	98	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-34.1	175.5	55	0	0	0	0	113	V148 S149 A150 S156 R192	V148-S152 WeakPolarHBondContact O-CB 3.43Å; V148-S152 PolarHBondContact O-N 2.9Å; V148-S152 PolarHBondContact O-OG 2.88Å; S149-S152 PolarHBondContact O-OG 2.91Å; A150-S152 PolarHBondContact O-N 2.87Å; S152-S156 WeakPolarHBondContact O-CB 3.22Å; S152-S156 PolarHBondContact O-N 2.95Å; S152-S156 VanDerWaalsContact O-N 3.07Å; S152-R192 PolarHBondContact OG-NE 2.97Å; S152-R192 PolarHBondContact OG-NH2 2.82Å
153	K	98.2	Very high	96.1	Very high	90 Å²	90	47.2 Å²	47.2	39%	0.391	24%	0.243	S	C	.	.	H	α-helix	trans	-72.4	-36.7	177.8	-172.2	56.8	178.5	160	0	112.2	S149 A150 A151 S156 N157	S149-K153 WeakPolarHBondContact O-CB 3.16Å; S149-K153 PolarHBondContact O-N 3.2Å; A150-K153 PolarHBondContact O-N 2.93Å; A150-K153 VanDerWaalsContact O-N 3.14Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.04Å; K153-S156 PolarHBondContact O-N 2.96Å; K153-N157 VanDerWaalsContact CE-OD1 3.3Å; K153-N157 WeakPolarHBondContact CE-OD1 3.37Å; K153-N157 PolarHBondContact NZ-OD1 2.92Å; K153-N157 WeakPolarHBondContact O-CB 3.48Å; K153-N157 PolarHBondContact O-N 2.84Å; K153-N157 PolarHBondContact O-OD1 2.57Å
154	L	97.6	Very high	95.6	Very high	61 Å²	61	47 Å²	47	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-48	173.1	-72.3	174.2	0	0	0	111.1	L131 E134 I146 A150 A151 N157 M158	L131-L154 HydrophobicContact CD1-CB 4.09Å; E134-L154 HydrophobicContact CB-CD1 4.49Å; I146-L154 HydrophobicContact CD1-CD1 3.62Å; A150-L154 WeakPolarHBondContact O-CG 3.43Å; A150-L154 PolarHBondContact O-N 2.72Å; A151-L154 PolarHBondContact O-N 2.91Å; L154-N157 PolarHBondContact O-N 2.86Å; L154-M158 HydrophobicContact CB-CE 4.49Å; L154-M158 WeakPolarHBondContact O-CG 3.48Å; L154-M158 PolarHBondContact O-N 3.36Å
155	L	97.2	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-45.6	177.9	-175.6	60.9	0	0	0	112.2	W127 L131 A151 N157 M158 M159 M169 I173 V186	W127-L155 HydrophobicContact CB-CD1 3.99Å; L131-L155 HydrophobicContact CD1-CB 4.48Å; L131-L155 HydrophobicContact CD2-CB 4.18Å; L131-L155 HydrophobicContact CD2-CD2 4.28Å; A151-L155 PolarHBondContact O-N 3.28Å; A151-L155 VanDerWaalsContact O-N 3.14Å; L155-N157 VanDerWaalsContact C-N 3.3Å; L155-N157 PolarHBondContact O-N 3.38Å; L155-M158 WeakPolarHBondContact O-CB 3.18Å; L155-M158 PolarHBondContact O-N 3.41Å; L155-M158 VanDerWaalsContact O-N 3.11Å; L155-M159 HydrophobicContact CD1-CE 4.25Å; L155-M159 WeakPolarHBondContact O-CG 3.34Å; L155-M159 PolarHBondContact O-N 2.93Å; L155-M169 HydrophobicContact CD1-CE 4.22Å; L155-M169 HydrophobicContact CD2-CE 4.03Å; L155-M169 HydrophobicContact CG-CE 4.08Å; L155-I173 HydrophobicContact CD2-CD1 3.86Å; L155-I173 HydrophobicContact CD2-CG1 4.14Å; L155-V186 HydrophobicContact CB-CG1 4.46Å; L155-V186 HydrophobicContact CD2-CB 4.31Å; L155-V186 HydrophobicContact CD2-CG1 4.21Å; L155-V186 HydrophobicContact CG-CG1 4.07Å
156	S	97.1	Very high	94.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-41.2	175.4	162.1	0	0	0	0	112.1	S152 K153 M159 L160 G190	S152-S156 WeakPolarHBondContact O-CB 3.22Å; S152-S156 PolarHBondContact O-N 2.95Å; S152-S156 VanDerWaalsContact O-N 3.07Å; K153-S156 PolarHBondContact O-N 2.96Å; S156-M159 PolarHBondContact O-N 2.85Å; S156-L160 WeakPolarHBondContact O-CG 3.24Å; S156-L160 PolarHBondContact O-N 2.89Å; S156-G190 PolarHBondContact OG-O 3.05Å
157	N	97	Very high	94.4	Very high	66 Å²	66	42.8 Å²	42.8	35%	0.353	24%	0.235	S	C	.	.	H	α-helix	trans	-66.4	-36.6	175.9	-70.7	-5.5	0	0	0	112.4	K153 L154 L155 Q161	K153-N157 VanDerWaalsContact CE-OD1 3.3Å; K153-N157 WeakPolarHBondContact CE-OD1 3.37Å; K153-N157 PolarHBondContact NZ-OD1 2.92Å; K153-N157 WeakPolarHBondContact O-CB 3.48Å; K153-N157 PolarHBondContact O-N 2.84Å; K153-N157 PolarHBondContact O-OD1 2.57Å; L154-N157 PolarHBondContact O-N 2.86Å; L155-N157 VanDerWaalsContact C-N 3.3Å; L155-N157 PolarHBondContact O-N 3.38Å; N157-Q161 PolarHBondContact O-N 3.01Å
158	M	95.2	Very high	94.2	Very high	22 Å²	22	41.9 Å²	41.9	11%	0.108	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-44.2	172.6	-66.7	167.9	-170.6	0	0	110.8	W127 L130 E134 L154 L155 L160 Q161 Y162	W127-M158 HydrophobicContact CE3-CB 3.85Å; W127-M158 HydrophobicContact CE3-CG 4.32Å; W127-M158 HydrophobicContact CE3-SD 4.05Å; W127-M158 HydrophobicContact CZ3-CB 3.75Å; W127-M158 HydrophobicContact CZ3-CG 4.14Å; W127-M158 HydrophobicContact CZ3-SD 4.32Å; L130-M158 HydrophobicContact CD2-CE 4.47Å; L130-M158 HydrophobicContact CD2-SD 4.09Å; L130-M158 HydrophobicContact CG-CE 4.33Å; L130-M158 HydrophobicContact CG-SD 4.32Å; E134-M158 HydrophobicContact CB-CE 4.38Å; E134-M158 HydrophobicContact CG-CE 3.68Å; L154-M158 HydrophobicContact CB-CE 4.49Å; L154-M158 WeakPolarHBondContact O-CG 3.48Å; L154-M158 PolarHBondContact O-N 3.36Å; L155-M158 WeakPolarHBondContact O-CB 3.18Å; L155-M158 PolarHBondContact O-N 3.41Å; L155-M158 VanDerWaalsContact O-N 3.11Å; M158-L160 PolarHBondContact O-N 2.85Å; M158-Q161 WeakPolarHBondContact O-CB 3.35Å; M158-Q161 PolarHBondContact O-N 3.38Å; M158-Y162 WeakPolarHBondContact O-CD2 3.47Å
159	M	94.6	Very high	93.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-41.4	179.6	-66.7	-55.4	95.4	0	0	111.8	W127 L155 S156 Q161 Y162 R163 L167 M169 D187	W127-M159 HydrophobicContact CB-CE 3.8Å; W127-M159 VanDerWaalsContact CD1-CE 3.48Å; W127-M159 HydrophobicContact CD2-CE 3.25Å; W127-M159 HydrophobicContact CE3-CE 3.76Å; W127-M159 HydrophobicContact CG-CE 3.24Å; W127-M159 HydrophobicContact CZ2-CE 4.32Å; W127-M159 HydrophobicContact CZ3-CE 4.48Å; L155-M159 HydrophobicContact CD1-CE 4.25Å; L155-M159 WeakPolarHBondContact O-CG 3.34Å; L155-M159 PolarHBondContact O-N 2.93Å; S156-M159 PolarHBondContact O-N 2.85Å; M159-Q161 PolarHBondContact O-N 2.83Å; M159-Y162 CarbonylContact O-C 3.58Å; M159-Y162 PolarHBondContact O-N 2.94Å; M159-R163 PolarHBondContact O-N 2.97Å; M159-R163 VanDerWaalsContact O-N 3.12Å; M159-L167 HydrophobicContact CE-CD1 4.38Å; M159-L167 HydrophobicContact SD-CD1 4.11Å; M159-M169 HydrophobicContact CE-CE 4.34Å; M159-M169 HydrophobicContact CG-CE 3.48Å; M159-M169 VanDerWaalsContact CG-CE 3.48Å; M159-M169 HydrophobicContact SD-CE 3.4Å; M159-M169 WeakPolarHBondContact SD-CE 3.3Å; M159-D187 WeakPolarHBondContact CG-O 3.35Å
160	L	94	Very high	93.8	Very high	77 Å²	77	41 Å²	41	40%	0.403	22%	0.224	S	C	.	.	H	α-helix	trans	-57.6	-32.1	177.5	-76.4	170.6	0	0	0	113.4	S156 M158 Y162 R163	S156-L160 WeakPolarHBondContact O-CG 3.24Å; S156-L160 PolarHBondContact O-N 2.89Å; M158-L160 PolarHBondContact O-N 2.85Å; L160-Y162 VanDerWaalsContact C-N 3.26Å; L160-Y162 PolarHBondContact O-N 2.95Å; L160-R163 PolarHBondContact O-N 2.57Å
161	Q	92.5	Very high	93.7	Very high	127 Å²	127	39.4 Å²	39.4	59%	0.593	21%	0.211	S	C	*	.	H	α-helix	trans	-68	-25.9	178.2	-69.1	175.6	2.5	0	0	113	N157 M158 M159	N157-Q161 PolarHBondContact O-N 3.01Å; M158-Q161 WeakPolarHBondContact O-CB 3.35Å; M158-Q161 PolarHBondContact O-N 3.38Å; M159-Q161 PolarHBondContact O-N 2.83Å
162	Y	90.2	Very high	93.7	Very high	19 Å²	19	39.4 Å²	39.4	8%	0.075	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	15.9	-177.7	-66	-95.6	0	0	0	112.1	L42 W127 M158 M159 L160 G164 M165 L167	L42-Y162 HydrophobicContact CB-CE1 3.72Å; L42-Y162 WeakPolarHBondContact CB-OH 3.34Å; L42-Y162 HydrophobicContact CD2-CD1 4.43Å; L42-Y162 HydrophobicContact CD2-CE1 4.04Å; L42-Y162 HydrophobicContact CG-CE1 4.47Å; L42-Y162 PolarHBondContact N-OH 3.45Å; W127-Y162 AromaticContact CH2-CD2 3.62Å; W127-Y162 HydrophobicContact CH2-CD2 3.62Å; W127-Y162 AromaticContact CH2-CE2 3.39Å; W127-Y162 HydrophobicContact CH2-CE2 3.39Å; W127-Y162 HydrophobicContact CH2-CG 4.45Å; W127-Y162 AromaticContact CZ2-CD2 3.69Å; W127-Y162 HydrophobicContact CZ2-CD2 3.69Å; W127-Y162 AromaticContact CZ2-CE2 3.84Å; W127-Y162 HydrophobicContact CZ2-CE2 3.84Å; W127-Y162 HydrophobicContact CZ2-CG 4.09Å; W127-Y162 HydrophobicContact CZ3-CE2 4.49Å; M158-Y162 WeakPolarHBondContact O-CD2 3.47Å; M159-Y162 CarbonylContact O-C 3.58Å; M159-Y162 PolarHBondContact O-N 2.94Å; L160-Y162 VanDerWaalsContact C-N 3.26Å; L160-Y162 PolarHBondContact O-N 2.95Å; Y162-G164 PolarHBondContact O-N 3.46Å; Y162-M165 HydrophobicContact CD1-SD 3.57Å; Y162-M165 VanDerWaalsContact CD1-SD 3.57Å; Y162-M165 HydrophobicContact CE1-SD 4.35Å; Y162-M165 HydrophobicContact CG-SD 4.26Å; Y162-M165 VanDerWaalsContact O-CB 3.26Å; Y162-M165 WeakPolarHBondContact O-CB 3.19Å; Y162-M165 WeakPolarHBondContact O-CG 3.48Å; Y162-M165 PolarHBondContact O-N 2.93Å; Y162-L167 HydrophobicContact CG-CD1 4.33Å
163	R	89.4	Confident	93.8	Very high	158 Å²	158	39.4 Å²	39.4	60%	0.596	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	129.7	-179.5	-174	178.4	-179.8	-164.7	-0	110.4	M159 L160 M165	M159-R163 PolarHBondContact O-N 2.97Å; M159-R163 VanDerWaalsContact O-N 3.12Å; L160-R163 PolarHBondContact O-N 2.57Å; R163-M165 VanDerWaalsContact C-N 3.3Å
164	G	86.9	Confident	93.8	Very high	56 Å²	56	35.1 Å²	35.1	58%	0.577	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	4.4	-178	0	0	0	0	0	114.9	T51 Y162 G166	T51-G164 VanDerWaalsContact CG2-O 3.32Å; T51-G164 WeakPolarHBondContact CG2-O 3.46Å; T51-G164 PolarHBondContact OG1-O 3.37Å; Y162-G164 PolarHBondContact O-N 3.46Å; G164-G166 VanDerWaalsContact C-N 3.31Å
165	M	88.8	Confident	93.8	Very high	62 Å²	62	32.2 Å²	32.2	31%	0.305	18%	0.177	S	C	.	.	S	Bend	trans	-88.8	7.9	176.1	-57.9	-169.4	-172.4	0	0	114.2	L44 T51 Y162 R163	L44-M165 HydrophobicContact CD1-SD 4.12Å; T51-M165 WeakPolarHBondContact OG1-CA 3.3Å; Y162-M165 HydrophobicContact CD1-SD 3.57Å; Y162-M165 VanDerWaalsContact CD1-SD 3.57Å; Y162-M165 HydrophobicContact CE1-SD 4.35Å; Y162-M165 HydrophobicContact CG-SD 4.26Å; Y162-M165 VanDerWaalsContact O-CB 3.26Å; Y162-M165 WeakPolarHBondContact O-CB 3.19Å; Y162-M165 WeakPolarHBondContact O-CG 3.48Å; Y162-M165 PolarHBondContact O-N 2.93Å; R163-M165 VanDerWaalsContact C-N 3.3Å
166	G	86.3	Confident	93.8	Very high	34 Å²	34	34.8 Å²	34.8	35%	0.351	19%	0.187	S	C	.	.			trans	82.3	22.7	177.6	0	0	0	0	0	114.8	G164	G164-G166 VanDerWaalsContact C-N 3.31Å
167	L	90.1	Very high	93.7	Very high	29 Å²	29	36 Å²	36	15%	0.152	19%	0.193	C	C	.	.			trans	-67.8	146.9	166.8	-62.9	-175.9	0	0	0	110.1	D123 W127 M159 Y162 D188	D123-L167 WeakPolarHBondContact OD2-CA 3.47Å; W127-L167 HydrophobicContact CZ2-CD1 4.44Å; M159-L167 HydrophobicContact CE-CD1 4.38Å; M159-L167 HydrophobicContact SD-CD1 4.11Å; Y162-L167 HydrophobicContact CG-CD1 4.33Å; L167-D188 HydrophobicContact CB-CB 4.06Å
168	S	91.7	Very high	93.6	Very high	17 Å²	17	40.8 Å²	40.8	12%	0.119	21%	0.211	C	C	.	.			trans	-131.5	105.9	172.9	175.5	0	0	0	0	109.2	C120 D123	C120-S168 WeakPolarHBondContact CB-O 3.13Å; C120-S168 PolarHBondContact N-O 2.95Å; D123-S168 PolarHBondContact OD2-N 3.45Å
169	M	93.2	Very high	93.6	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-151.2	127.7	-178	-172.9	-87.8	-71.7	0	0	110.9	S118 C124 L155 M159 S171 V186 D187 D188	S118-M169 WeakPolarHBondContact O-CA 3.42Å; C124-M169 HydrophobicContact CB-CG 4.41Å; C124-M169 VanDerWaalsContact SG-CG 3.53Å; L155-M169 HydrophobicContact CD1-CE 4.22Å; L155-M169 HydrophobicContact CD2-CE 4.03Å; L155-M169 HydrophobicContact CG-CE 4.08Å; M159-M169 HydrophobicContact CE-CE 4.34Å; M159-M169 HydrophobicContact CG-CE 3.48Å; M159-M169 VanDerWaalsContact CG-CE 3.48Å; M159-M169 HydrophobicContact SD-CE 3.4Å; M159-M169 WeakPolarHBondContact SD-CE 3.3Å; M169-S171 WeakPolarHBondContact SD-CB 3.38Å; M169-S171 PolarHBondContact SD-N 3.12Å; M169-S171 VanDerWaalsContact SD-N 3.38Å; M169-V186 HydrophobicContact CE-CG1 4.33Å; M169-D187 CarbonylContact O-C 3.52Å; M169-D187 WeakPolarHBondContact O-CA 3.44Å; M169-D188 HydrophobicContact CB-CB 4.44Å; M169-D188 PolarHBondContact N-OD1 3.25Å; M169-D188 PolarHBondContact O-N 3.36Å
170	G	94.9	Very high	93.7	Very high	6 Å²	6	49 Å²	49	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	109.9	164.1	0	0	0	0	0	109.1	S118	S118-G170 WeakPolarHBondContact CB-O 3.47Å; S118-G170 PolarHBondContact N-O 3.39Å; S118-G170 PolarHBondContact O-N 3.44Å; S118-G170 PolarHBondContact OG-O 3.35Å
171	S	97.1	Very high	93.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.6	-176.9	-176.8	0	0	0	0	111.8	T116 E128 M169 V186	T116-S171 PolarHBondContact N-OG 3.45Å; T116-S171 VanDerWaalsContact O-CA 3.28Å; T116-S171 WeakPolarHBondContact O-CA 3.25Å; T116-S171 VanDerWaalsContact O-CB 3.25Å; T116-S171 WeakPolarHBondContact O-CB 3.22Å; T116-S171 PolarHBondContact O-OG 3.44Å; E128-S171 WeakPolarHBondContact OE1-CB 3.2Å; E128-S171 PolarHBondContact OE1-OG 3.28Å; M169-S171 WeakPolarHBondContact SD-CB 3.38Å; M169-S171 PolarHBondContact SD-N 3.12Å; M169-S171 VanDerWaalsContact SD-N 3.38Å; S171-V186 PolarHBondContact N-O 2.95Å; S171-V186 PolarHBondContact O-N 3.31Å
172	M	98.5	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.8	170.6	-66.6	177.7	-77.8	0	0	109.1	T75 A77 G115 T116 L183 Y184 F198 T200	T75-M172 WeakPolarHBondContact OG1-CE 2.98Å; A77-M172 HydrophobicContact CB-CE 4.25Å; A77-M172 HydrophobicContact CB-SD 3.7Å; G115-M172 WeakPolarHBondContact CA-O 3.49Å; T116-M172 HydrophobicContact CG2-CB 4.07Å; T116-M172 HydrophobicContact CG2-CE 3.9Å; T116-M172 PolarHBondContact N-O 3.19Å; T116-M172 WeakPolarHBondContact OG1-CB 3.28Å; T116-M172 PolarHBondContact OG1-N 3.4Å; M172-L183 HydrophobicContact CB-CD1 4.13Å; M172-Y184 CarbonylContact C-O 3.58Å; M172-Y184 VanDerWaalsContact CA-O 3.29Å; M172-Y184 WeakPolarHBondContact CA-O 3.3Å; M172-F198 HydrophobicContact CG-CB 4.14Å; M172-F198 HydrophobicContact SD-CB 3.46Å; M172-F198 WeakPolarHBondContact SD-CB 3.14Å; M172-T200 HydrophobicContact CE-CG2 4.29Å; M172-T200 HydrophobicContact CG-CG2 4.2Å; M172-T200 HydrophobicContact SD-CG2 4.39Å
173	I	98.5	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.4	175.1	-55.1	-55.6	0	0	0	108.9	I109 L113 L131 V148 L155 L183 Y184 V186	I109-I173 HydrophobicContact CD1-CD1 3.96Å; L113-I173 HydrophobicContact CD1-CG2 3.76Å; L113-I173 HydrophobicContact CD2-CG2 4.17Å; L113-I173 HydrophobicContact CG-CG2 4.08Å; L131-I173 HydrophobicContact CD2-CD1 3.98Å; V148-I173 HydrophobicContact CG1-CG2 4.12Å; L155-I173 HydrophobicContact CD2-CD1 3.86Å; L155-I173 HydrophobicContact CD2-CG1 4.14Å; I173-L183 WeakPolarHBondContact O-CA 3.25Å; I173-Y184 PolarHBondContact N-O 2.9Å; I173-Y184 PolarHBondContact O-N 2.97Å; I173-V186 HydrophobicContact CG1-CG2 4.41Å
174	C	98.3	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135	-174.2	-51.3	0	0	0	0	109.8	V84 V86 L113 L114 G182 L183	V84-C174 HydrophobicContact CG1-CB 4.42Å; V86-C174 HydrophobicContact CG2-CB 3.86Å; V86-C174 VanDerWaalsContact CG2-SG 3.53Å; L113-C174 CarbonylContact C-O 3.45Å; L113-C174 WeakPolarHBondContact CA-O 3.41Å; L113-C174 WeakPolarHBondContact CD1-O 3.37Å; L114-C174 HydrophobicContact CB-CB 4.39Å; L114-C174 PolarHBondContact N-O 2.81Å; L114-C174 PolarHBondContact O-N 3.16Å; C174-G182 WeakPolarHBondContact CA-O 3.22Å; C174-L183 HydrophobicContact CB-CD1 4.45Å; C174-L183 WeakPolarHBondContact SG-CD1 3.45Å
175	G	98.2	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	179.2	178.1	0	0	0	0	0	113.1	Y112 G182	Y112-G175 VanDerWaalsContact O-CA 3.3Å; Y112-G175 WeakPolarHBondContact O-CA 3.47Å; G175-G182 PolarHBondContact N-O 3.46Å; G175-G182 PolarHBondContact O-N 3.43Å
176	W	97.6	Very high	95.9	Very high	53 Å²	53	31.7 Å²	31.7	20%	0.201	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.5	171.4	-161.1	-60.1	0	0	0	109.9	G83 P181 M251 K252 K253	G83-W176 VanDerWaalsContact CA-CZ3 3.4Å; W176-P181 HydrophobicContact CD2-CB 4.49Å; W176-P181 HydrophobicContact CE3-CB 4.12Å; W176-P181 HydrophobicContact CH2-CG 4.48Å; W176-P181 HydrophobicContact CZ3-CB 4.3Å; W176-P181 HydrophobicContact CZ3-CG 4.48Å; W176-M251 HydrophobicContact CB-CG 4.37Å; W176-K252 WeakPolarHBondContact CB-O 3.5Å; W176-K252 VanDerWaalsContact CE3-C 3.45Å; W176-K253 HydrophobicContact CD2-CB 4.01Å; W176-K253 HydrophobicContact CD2-CG 4.48Å; W176-K253 HydrophobicContact CE3-CB 4.37Å; W176-K253 HydrophobicContact CG-CB 4.42Å; W176-K253 HydrophobicContact CH2-CB 4.43Å; W176-K253 HydrophobicContact CZ2-CB 4.09Å; W176-K253 HydrophobicContact CZ2-CG 4.4Å
177	D	95.5	Very high	96.4	Very high	26 Å²	26	30.9 Å²	30.9	14%	0.139	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-168.6	178.2	70	27.8	0	0	0	112.2	S147 V148 K179 G180	S147-D177 WeakPolarHBondContact CB-OD2 3.32Å; V148-D177 HydrophobicContact CG2-CB 4.14Å; V148-D177 PolarHBondContact N-OD2 3.24Å; D177-K179 PolarHBondContact O-N 2.73Å; D177-K179 VanDerWaalsContact O-N 3.16Å; D177-K179 WeakPolarHBondContact OD1-CA 3.47Å; D177-K179 WeakPolarHBondContact OD1-CB 3.34Å; D177-K179 PolarHBondContact OD1-N 3.4Å; D177-G180 PolarHBondContact N-O 2.92Å; D177-G180 PolarHBondContact O-N 2.92Å
178	K	94.8	Very high	96.5	Very high	167 Å²	167	31.3 Å²	31.3	73%	0.726	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.5	179.8	-69.9	175.6	170	170.4	0	113.3	E144 G180	E144-K178 WeakPolarHBondContact OE1-CE 3.43Å; E144-K178 IonicContact OE1-NZ 2.62Å; E144-K178 PolarHBondContact OE1-NZ 3.39Å; E144-K178 IonicContact OE2-NZ 2.81Å; E144-K178 PolarHBondContact OE2-NZ 3.13Å; K178-G180 VanDerWaalsContact C-N 3.35Å
179	K	94.8	Very high	96.6	Very high	182 Å²	182	34.1 Å²	34.1	79%	0.791	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.2	178.2	-61.9	180	177.2	178.1	0	112.9	D177	D177-K179 PolarHBondContact O-N 2.73Å; D177-K179 VanDerWaalsContact O-N 3.16Å; D177-K179 WeakPolarHBondContact OD1-CA 3.47Å; D177-K179 WeakPolarHBondContact OD1-CB 3.34Å; D177-K179 PolarHBondContact OD1-N 3.4Å
180	G	96.2	Very high	96.5	Very high	14 Å²	14	34.5 Å²	34.5	14%	0.144	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.4	-155.2	-175.9	0	0	0	0	0	112.8	D177 K178 G182	D177-G180 PolarHBondContact N-O 2.92Å; D177-G180 PolarHBondContact O-N 2.92Å; K178-G180 VanDerWaalsContact C-N 3.35Å; G180-G182 PolarHBondContact O-N 3.17Å
181	P	97.6	Very high	96.6	Very high	39 Å²	39	36.7 Å²	36.7	25%	0.253	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.2	179.7	25.8	-32.3	0	0	0	111.7	K79 V84 W176	K79-P181 HydrophobicContact CD-CB 4.43Å; K79-P181 WeakPolarHBondContact CE-O 3.5Å; K79-P181 PolarHBondContact NZ-O 3.43Å; V84-P181 HydrophobicContact CG2-CB 3.63Å; W176-P181 HydrophobicContact CD2-CB 4.49Å; W176-P181 HydrophobicContact CE3-CB 4.12Å; W176-P181 HydrophobicContact CH2-CG 4.48Å; W176-P181 HydrophobicContact CZ3-CB 4.3Å; W176-P181 HydrophobicContact CZ3-CG 4.48Å
182	G	98	Very high	96.7	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	177.9	0	0	0	0	0	111.5	C174 G175 G180	C174-G182 WeakPolarHBondContact CA-O 3.22Å; G175-G182 PolarHBondContact N-O 3.46Å; G175-G182 PolarHBondContact O-N 3.43Å; G180-G182 PolarHBondContact O-N 3.17Å
183	L	98.6	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.8	174.1	177.3	61.6	0	0	0	107.4	A77 K79 M172 I173 C174 S194 F198	A77-L183 HydrophobicContact CB-CD1 3.71Å; A77-L183 HydrophobicContact CB-CD2 4.21Å; K79-L183 HydrophobicContact CD-CB 4.28Å; K79-L183 HydrophobicContact CG-CB 4.02Å; K79-L183 HydrophobicContact CG-CD2 4.3Å; M172-L183 HydrophobicContact CB-CD1 4.13Å; I173-L183 WeakPolarHBondContact O-CA 3.25Å; C174-L183 HydrophobicContact CB-CD1 4.45Å; C174-L183 WeakPolarHBondContact SG-CD1 3.45Å; L183-S194 PolarHBondContact O-OG 2.85Å; L183-F198 HydrophobicContact CD1-CD2 4.45Å; L183-F198 HydrophobicContact CD2-CD2 3.89Å; L183-F198 HydrophobicContact CD2-CE2 4.48Å; L183-F198 HydrophobicContact CG-CD2 3.84Å; L183-F198 HydrophobicContact CG-CE2 4.23Å
184	Y	98.7	Very high	96.7	Very high	34 Å²	34	47.8 Å²	47.8	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.6	178.8	-71.7	-95.5	0	0	0	110.5	V148 S149 M172 I173 R192 L193 S194	V148-Y184 HydrophobicContact CB-CE2 4.41Å; V148-Y184 HydrophobicContact CG1-CD2 3.85Å; V148-Y184 HydrophobicContact CG1-CE2 4.2Å; S149-Y184 VanDerWaalsContact CB-OH 3.25Å; S149-Y184 WeakPolarHBondContact CB-OH 3.2Å; M172-Y184 CarbonylContact C-O 3.58Å; M172-Y184 VanDerWaalsContact CA-O 3.29Å; M172-Y184 WeakPolarHBondContact CA-O 3.3Å; I173-Y184 PolarHBondContact N-O 2.9Å; I173-Y184 PolarHBondContact O-N 2.97Å; Y184-R192 HydrophobicContact CD1-CG 4.29Å; Y184-R192 VanDerWaalsContact CE1-CZ 3.45Å; Y184-L193 CarbonylContact C-O 3.58Å; Y184-L193 WeakPolarHBondContact CA-O 3.09Å; Y184-S194 VanDerWaalsContact CE1-CB 3.47Å
185	Y	98.5	Very high	96.6	Very high	55 Å²	55	48.7 Å²	48.7	22%	0.216	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.6	165.8	170.9	-108	0	0	0	109.7	D187 T191 R192 L193 T200	Y185-D187 HydrophobicContact CE1-CB 4.11Å; Y185-D187 WeakPolarHBondContact OH-CB 3.43Å; Y185-T191 HydrophobicContact CE1-CG2 4.45Å; Y185-R192 CarbonylContact O-C 3.59Å; Y185-R192 VanDerWaalsContact O-CA 3.3Å; Y185-R192 WeakPolarHBondContact O-CA 3.39Å; Y185-L193 HydrophobicContact CD1-CD1 4.21Å; Y185-L193 HydrophobicContact CD1-CG 4.48Å; Y185-L193 PolarHBondContact N-O 2.96Å; Y185-L193 PolarHBondContact O-N 2.89Å; Y185-T200 HydrophobicContact CD2-CG2 3.75Å; Y185-T200 HydrophobicContact CE2-CG2 3.58Å
186	V	98.2	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.6	176	-176.2	0	0	0	0	109.1	L155 M169 S171 I173 T191 R192	L155-V186 HydrophobicContact CB-CG1 4.46Å; L155-V186 HydrophobicContact CD2-CB 4.31Å; L155-V186 HydrophobicContact CD2-CG1 4.21Å; L155-V186 HydrophobicContact CG-CG1 4.07Å; M169-V186 HydrophobicContact CE-CG1 4.33Å; S171-V186 PolarHBondContact N-O 2.95Å; S171-V186 PolarHBondContact O-N 3.31Å; I173-V186 HydrophobicContact CG1-CG2 4.41Å; V186-T191 VanDerWaalsContact CA-O 3.32Å; V186-T191 WeakPolarHBondContact CA-O 3.21Å; V186-R192 HydrophobicContact CG2-CG 4.34Å
187	D	95.7	Very high	96.6	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	171.3	176.3	74.4	10.7	0	0	0	113.6	M159 M169 Y185 N189 G190 T191	M159-D187 WeakPolarHBondContact CG-O 3.35Å; M169-D187 CarbonylContact O-C 3.52Å; M169-D187 WeakPolarHBondContact O-CA 3.44Å; Y185-D187 HydrophobicContact CE1-CB 4.11Å; Y185-D187 WeakPolarHBondContact OH-CB 3.43Å; D187-N189 PolarHBondContact O-N 2.97Å; D187-N189 WeakPolarHBondContact OD1-CA 3.41Å; D187-N189 WeakPolarHBondContact OD1-CB 3.34Å; D187-N189 PolarHBondContact OD1-N 2.93Å; D187-G190 PolarHBondContact O-N 2.73Å; D187-G190 PolarHBondContact OD1-N 2.87Å; D187-T191 VanDerWaalsContact CG-OG1 3.27Å; D187-T191 PolarHBondContact N-O 2.97Å; D187-T191 WeakPolarHBondContact OD1-CA 3.24Å; D187-T191 WeakPolarHBondContact OD1-CB 3.4Å; D187-T191 PolarHBondContact OD1-N 2.92Å; D187-T191 PolarHBondContact OD1-OG1 3.35Å; D187-T191 VanDerWaalsContact OD1-OG1 3.1Å; D187-T191 WeakPolarHBondContact OD2-CB 3.41Å; D187-T191 PolarHBondContact OD2-OG1 2.72Å
188	D	92.8	Very high	96.7	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.203	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.9	175.3	55.3	-100.6	0	0	0	114.4	L167 M169 G190	L167-D188 HydrophobicContact CB-CB 4.06Å; M169-D188 HydrophobicContact CB-CB 4.44Å; M169-D188 PolarHBondContact N-OD1 3.25Å; M169-D188 PolarHBondContact O-N 3.36Å; D188-G190 PolarHBondContact O-N 3.44Å
189	N	93.4	Very high	96.9	Very high	76 Å²	76	44.6 Å²	44.6	41%	0.406	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.5	172.3	-72.6	-62.9	0	0	0	112.9	D187 T191	D187-N189 PolarHBondContact O-N 2.97Å; D187-N189 WeakPolarHBondContact OD1-CA 3.41Å; D187-N189 WeakPolarHBondContact OD1-CB 3.34Å; D187-N189 PolarHBondContact OD1-N 2.93Å; N189-T191 VanDerWaalsContact C-N 3.33Å
190	G	91.8	Very high	97	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	20%	0.199	C	C	.	.			trans	83.9	6.5	-176.2	0	0	0	0	0	113.9	S156 D187 D188 R192	S156-G190 PolarHBondContact OG-O 3.05Å; D187-G190 PolarHBondContact O-N 2.73Å; D187-G190 PolarHBondContact OD1-N 2.87Å; D188-G190 PolarHBondContact O-N 3.44Å; G190-R192 PolarHBondContact O-N 2.71Å
191	T	97.2	Very high	96.9	Very high	53 Å²	53	36.6 Å²	36.6	33%	0.325	20%	0.202	S	C	.	.			trans	-55.7	138.1	170.8	-53.8	0	0	0	0	108.8	Y185 V186 D187 N189 L193	Y185-T191 HydrophobicContact CE1-CG2 4.45Å; V186-T191 VanDerWaalsContact CA-O 3.32Å; V186-T191 WeakPolarHBondContact CA-O 3.21Å; D187-T191 VanDerWaalsContact CG-OG1 3.27Å; D187-T191 PolarHBondContact N-O 2.97Å; D187-T191 WeakPolarHBondContact OD1-CA 3.24Å; D187-T191 WeakPolarHBondContact OD1-CB 3.4Å; D187-T191 PolarHBondContact OD1-N 2.92Å; D187-T191 PolarHBondContact OD1-OG1 3.35Å; D187-T191 VanDerWaalsContact OD1-OG1 3.1Å; D187-T191 WeakPolarHBondContact OD2-CB 3.41Å; D187-T191 PolarHBondContact OD2-OG1 2.72Å; N189-T191 VanDerWaalsContact C-N 3.33Å; T191-L193 HydrophobicContact CG2-CD1 4.13Å; T191-L193 HydrophobicContact CG2-CD2 4.32Å; T191-L193 HydrophobicContact CG2-CG 3.87Å
192	R	98	Very high	96.7	Very high	75 Å²	75	36.5 Å²	36.5	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	110.5	175.9	179.8	179.3	165.5	-79.4	7	110.2	S149 S152 Y184 Y185 V186 G190	S149-R192 PolarHBondContact O-NH2 2.94Å; S152-R192 PolarHBondContact OG-NE 2.97Å; S152-R192 PolarHBondContact OG-NH2 2.82Å; Y184-R192 HydrophobicContact CD1-CG 4.29Å; Y184-R192 VanDerWaalsContact CE1-CZ 3.45Å; Y185-R192 CarbonylContact O-C 3.59Å; Y185-R192 VanDerWaalsContact O-CA 3.3Å; Y185-R192 WeakPolarHBondContact O-CA 3.39Å; V186-R192 HydrophobicContact CG2-CG 4.34Å; G190-R192 PolarHBondContact O-N 2.71Å
193	L	98.3	Very high	96.6	Very high	88 Å²	88	36.2 Å²	36.2	46%	0.461	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.1	-177.2	-58.4	176.3	0	0	0	110.1	Y184 Y185 T191 F198	Y184-L193 CarbonylContact C-O 3.58Å; Y184-L193 WeakPolarHBondContact CA-O 3.09Å; Y185-L193 HydrophobicContact CD1-CD1 4.21Å; Y185-L193 HydrophobicContact CD1-CG 4.48Å; Y185-L193 PolarHBondContact N-O 2.96Å; Y185-L193 PolarHBondContact O-N 2.89Å; T191-L193 HydrophobicContact CG2-CD1 4.13Å; T191-L193 HydrophobicContact CG2-CD2 4.32Å; T191-L193 HydrophobicContact CG2-CG 3.87Å; L193-F198 HydrophobicContact CB-CE1 4.34Å; L193-F198 HydrophobicContact CB-CZ 3.95Å
194	S	97.9	Very high	96.5	Very high	70 Å²	70	38.6 Å²	38.6	49%	0.49	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.8	165	-160.7	0	0	0	0	108.9	L183 Y184	L183-S194 PolarHBondContact O-OG 2.85Å; Y184-S194 VanDerWaalsContact CE1-CB 3.47Å
195	G	96.4	Very high	96.4	Very high	19 Å²	19	41.3 Å²	41.3	20%	0.196	23%	0.232	C	C	.	.			trans	-158.9	172.4	-176.3	0	0	0	0	0	112.5	K79	K79-G195 VanDerWaalsContact CE-O 3.25Å; K79-G195 WeakPolarHBondContact CE-O 3.15Å
196	Q	97.2	Very high	96.4	Very high	104 Å²	104	43.7 Å²	43.7	49%	0.486	24%	0.242	S	C	.	.	S	Bend	trans	-86	-28.3	174.5	-63.2	-61.1	-22.7	0	0	112	F78 K79	F78-Q196 CarbonylContact C-O 3.45Å; F78-Q196 WeakPolarHBondContact CA-O 3.33Å; K79-Q196 PolarHBondContact N-O 3.28Å
197	M	98.1	Very high	96.4	Very high	26 Å²	26	43.7 Å²	43.7	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	141	-175.8	179.6	-176	-48.2	0	0	109.7	A77 F78 Y208 M211 Y215	A77-M197 CarbonylContact O-C 3.41Å; A77-M197 WeakPolarHBondContact O-CA 3.48Å; F78-M197 HydrophobicContact CB-CB 3.99Å; F78-M197 HydrophobicContact CB-CE 4.35Å; F78-M197 HydrophobicContact CB-CG 3.96Å; M197-Y208 HydrophobicContact SD-CD1 4.47Å; M197-M211 HydrophobicContact CE-CB 4.27Å; M197-M211 HydrophobicContact CG-CE 3.8Å; M197-M211 HydrophobicContact CG-SD 4.13Å; M197-M211 HydrophobicContact SD-CB 3.64Å; M197-M211 HydrophobicContact SD-CE 3.65Å; M197-M211 HydrophobicContact SD-CG 4.45Å; M197-M211 HydrophobicContact SD-SD 4Å; M197-Y215 HydrophobicContact CE-CD1 3.84Å; M197-Y215 HydrophobicContact CE-CD2 3.49Å; M197-Y215 VanDerWaalsContact CE-CD2 3.49Å; M197-Y215 HydrophobicContact CE-CE1 4.41Å; M197-Y215 HydrophobicContact CE-CE2 4.11Å; M197-Y215 HydrophobicContact CE-CG 3.33Å
198	F	98.5	Very high	96.5	Very high	26 Å²	26	46.1 Å²	46.1	11%	0.114	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.9	171.8	-67.4	-65.3	0	0	0	110.2	L76 A77 M172 L183 L193 Y208	L76-F198 WeakPolarHBondContact CA-O 3.31Å; A77-F198 PolarHBondContact N-O 3.17Å; A77-F198 PolarHBondContact O-N 3.34Å; M172-F198 HydrophobicContact CG-CB 4.14Å; M172-F198 HydrophobicContact SD-CB 3.46Å; M172-F198 WeakPolarHBondContact SD-CB 3.14Å; L183-F198 HydrophobicContact CD1-CD2 4.45Å; L183-F198 HydrophobicContact CD2-CD2 3.89Å; L183-F198 HydrophobicContact CD2-CE2 4.48Å; L183-F198 HydrophobicContact CG-CD2 3.84Å; L183-F198 HydrophobicContact CG-CE2 4.23Å; L193-F198 HydrophobicContact CB-CE1 4.34Å; L193-F198 HydrophobicContact CB-CZ 3.95Å; F198-Y208 WeakPolarHBondContact CA-OH 3.36Å
199	S	98.2	Very high	96.8	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.028	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.3	165	-177.4	0	0	0	0	110.2	T75 N204 Y208	T75-S199 CarbonylContact O-C 3.55Å; T75-S199 WeakPolarHBondContact O-CA 3.49Å; T75-S199 WeakPolarHBondContact O-CB 3.48Å; T75-S199 PolarHBondContact O-OG 3.28Å; S199-N204 WeakPolarHBondContact OG-CA 3.38Å; S199-N204 WeakPolarHBondContact OG-CB 3.39Å; S199-Y208 PolarHBondContact N-OH 3.4Å; S199-Y208 PolarHBondContact O-OH 3.39Å
200	T	96.8	Very high	97	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.2	-176.8	79	0	0	0	0	111.6	T75 S118 M172 Y185	T75-T200 PolarHBondContact N-O 2.82Å; T75-T200 PolarHBondContact O-N 3.31Å; T75-T200 PolarHBondContact OG1-OG1 3.19Å; S118-T200 VanDerWaalsContact CB-OG1 3.25Å; S118-T200 WeakPolarHBondContact CB-OG1 3.34Å; S118-T200 WeakPolarHBondContact OG-CB 3.39Å; S118-T200 PolarHBondContact OG-OG1 3.44Å; M172-T200 HydrophobicContact CE-CG2 4.29Å; M172-T200 HydrophobicContact CG-CG2 4.2Å; M172-T200 HydrophobicContact SD-CG2 4.39Å; Y185-T200 HydrophobicContact CD2-CG2 3.75Å; Y185-T200 HydrophobicContact CE2-CG2 3.58Å
201	G	94.9	Very high	97.3	Very high	21 Å²	21	44 Å²	44	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	92	-178.6	-176.3	0	0	0	0	0	113.5	T73 G203 N204	T73-G201 CarbonylContact O-C 3.55Å; T73-G201 WeakPolarHBondContact O-CA 3.47Å; G201-G203 VanDerWaalsContact C-N 3.32Å; G201-G203 PolarHBondContact O-N 3.18Å; G201-N204 WeakPolarHBondContact O-CB 3.15Å; G201-N204 PolarHBondContact O-N 2.92Å; G201-N204 PolarHBondContact O-OD1 3.43Å
202	S	94.1	Very high	97.3	Very high	37 Å²	37	46.5 Å²	46.5	26%	0.259	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.5	-175.8	50	0	0	0	0	114.1	T73 D239	T73-S202 PolarHBondContact N-OG 3.08Å; T73-S202 PolarHBondContact O-N 2.83Å; T73-S202 PolarHBondContact O-OG 3.37Å; S202-D239 WeakPolarHBondContact CB-OD2 3.36Å; S202-D239 PolarHBondContact OG-OD2 2.91Å
203	G	95.9	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.8	-179.3	0	0	0	0	0	114.9	T73 T74 G201 T205 Y206 A207 D239	T73-G203 PolarHBondContact O-N 3.03Å; T74-G203 VanDerWaalsContact OG1-CA 3.27Å; T74-G203 WeakPolarHBondContact OG1-CA 3.33Å; G201-G203 VanDerWaalsContact C-N 3.32Å; G201-G203 PolarHBondContact O-N 3.18Å; G203-T205 PolarHBondContact O-N 3.26Å; G203-Y206 PolarHBondContact O-N 2.66Å; G203-A207 PolarHBondContact O-N 3.48Å; G203-D239 PolarHBondContact N-OD2 2.82Å
204	N	96.1	Very high	97.2	Very high	50 Å²	50	44.5 Å²	44.5	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-39.5	-172.8	68.7	-17	0	0	0	114.1	S199 G201 Y206 A207 Y208	S199-N204 WeakPolarHBondContact OG-CA 3.38Å; S199-N204 WeakPolarHBondContact OG-CB 3.39Å; G201-N204 WeakPolarHBondContact O-CB 3.15Å; G201-N204 PolarHBondContact O-N 2.92Å; G201-N204 PolarHBondContact O-OD1 3.43Å; N204-Y206 VanDerWaalsContact C-N 3.33Å; N204-Y206 PolarHBondContact O-N 3.46Å; N204-A207 WeakPolarHBondContact O-CB 3.4Å; N204-A207 PolarHBondContact O-N 3.13Å; N204-Y208 HydrophobicContact CB-CE2 4.36Å; N204-Y208 WeakPolarHBondContact O-CD2 3.38Å; N204-Y208 PolarHBondContact O-N 3.34Å
205	T	97.3	Very high	97.2	Very high	90 Å²	90	44.1 Å²	44.1	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-62.7	-40.3	-179.1	50.7	0	0	0	0	111.9	G203 G209	G203-T205 PolarHBondContact O-N 3.26Å; T205-G209 PolarHBondContact O-N 2.87Å
206	Y	97.8	Very high	97.3	Very high	105 Å²	105	48.5 Å²	48.5	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-38.6	175	-53.4	-62.9	0	0	0	111.8	G203 N204 R238 D239	G203-Y206 PolarHBondContact O-N 2.66Å; N204-Y206 VanDerWaalsContact C-N 3.33Å; N204-Y206 PolarHBondContact O-N 3.46Å; Y206-R238 HydrophobicContact CD1-CB 3.71Å; Y206-R238 HydrophobicContact CD1-CG 4.07Å; Y206-R238 HydrophobicContact CD2-CB 3.96Å; Y206-R238 HydrophobicContact CE1-CB 3.63Å; Y206-R238 HydrophobicContact CE1-CG 4.18Å; Y206-R238 HydrophobicContact CE2-CB 3.9Å; Y206-R238 HydrophobicContact CG-CB 3.88Å; Y206-D239 HydrophobicContact CD2-CB 4.05Å; Y206-D239 HydrophobicContact CE2-CB 3.91Å
207	A	98.2	Very high	97.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-46.3	177.1	0	0	0	0	0	111.6	T74 L76 G203 N204 G209 V210 M211 A235	T74-A207 HydrophobicContact CG2-CB 3.88Å; L76-A207 HydrophobicContact CD2-CB 4.19Å; G203-A207 PolarHBondContact O-N 3.48Å; N204-A207 WeakPolarHBondContact O-CB 3.4Å; N204-A207 PolarHBondContact O-N 3.13Å; A207-G209 VanDerWaalsContact C-N 3.35Å; A207-G209 PolarHBondContact O-N 3.29Å; A207-V210 PolarHBondContact O-N 2.91Å; A207-M211 WeakPolarHBondContact O-CB 3.22Å; A207-M211 VanDerWaalsContact O-CG 3.31Å; A207-M211 WeakPolarHBondContact O-CG 3.18Å; A207-M211 PolarHBondContact O-N 3.25Å; A207-A235 HydrophobicContact CB-CB 4.28Å
208	Y	98.5	Very high	97.2	Very high	69 Å²	69	54 Å²	54	27%	0.271	30%	0.297	S	S	.	.	H	α-helix	trans	-55.8	-46.8	176.8	-79.8	-63.7	0	0	0	112	M197 F198 S199 N204 V210 M211 D212	M197-Y208 HydrophobicContact SD-CD1 4.47Å; F198-Y208 WeakPolarHBondContact CA-OH 3.36Å; S199-Y208 PolarHBondContact N-OH 3.4Å; S199-Y208 PolarHBondContact O-OH 3.39Å; N204-Y208 HydrophobicContact CB-CE2 4.36Å; N204-Y208 WeakPolarHBondContact O-CD2 3.38Å; N204-Y208 PolarHBondContact O-N 3.34Å; Y208-V210 VanDerWaalsContact C-N 3.26Å; Y208-V210 PolarHBondContact O-N 3.29Å; Y208-M211 HydrophobicContact CD1-CE 3.69Å; Y208-M211 HydrophobicContact CE1-CE 4.07Å; Y208-M211 HydrophobicContact CG-CE 4.27Å; Y208-M211 PolarHBondContact O-N 3.19Å; Y208-M211 VanDerWaalsContact O-N 3.16Å; Y208-D212 WeakPolarHBondContact O-CB 3.25Å; Y208-D212 PolarHBondContact O-N 3.3Å
209	G	98	Very high	97.1	Very high	49 Å²	49	53 Å²	53	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-56.1	-38.7	-179.5	0	0	0	0	0	113.8	T205 A207 S213	T205-G209 PolarHBondContact O-N 2.87Å; A207-G209 VanDerWaalsContact C-N 3.35Å; A207-G209 PolarHBondContact O-N 3.29Å; G209-S213 WeakPolarHBondContact O-CB 3.16Å; G209-S213 PolarHBondContact O-OG 3.27Å
210	V	97.9	Very high	97.1	Very high	32 Å²	32	54.9 Å²	54.9	19%	0.194	31%	0.306	C	S	.	.	H	α-helix	trans	-77.1	-46.2	176.3	180	0	0	0	0	111.2	A207 Y208 S213 G214 R230 A231 Y234	A207-V210 PolarHBondContact O-N 2.91Å; Y208-V210 VanDerWaalsContact C-N 3.26Å; Y208-V210 PolarHBondContact O-N 3.29Å; V210-S213 PolarHBondContact O-N 3.3Å; V210-S213 PolarHBondContact O-OG 3.42Å; V210-G214 PolarHBondContact O-N 2.85Å; V210-R230 HydrophobicContact CG1-CB 4.2Å; V210-A231 HydrophobicContact CB-CB 4.07Å; V210-A231 HydrophobicContact CG1-CB 4.05Å; V210-Y234 HydrophobicContact CG1-CD2 4.32Å; V210-Y234 HydrophobicContact CG2-CD2 3.98Å; V210-Y234 HydrophobicContact CG2-CG 4.39Å
211	M	98	Very high	97.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-51.3	-178.9	-71.2	-168.4	-57.7	0	0	112.1	L76 F78 M197 A207 Y208 S213 G214 Y215 A231	L76-M211 HydrophobicContact CB-CE 4.12Å; L76-M211 HydrophobicContact CB-SD 3.66Å; L76-M211 HydrophobicContact CD1-SD 3.8Å; L76-M211 HydrophobicContact CD2-CG 4.24Å; L76-M211 HydrophobicContact CD2-SD 3.76Å; L76-M211 HydrophobicContact CG-SD 3.94Å; F78-M211 HydrophobicContact CD1-SD 4.19Å; M197-M211 HydrophobicContact CE-CB 4.27Å; M197-M211 HydrophobicContact CG-CE 3.8Å; M197-M211 HydrophobicContact CG-SD 4.13Å; M197-M211 HydrophobicContact SD-CB 3.64Å; M197-M211 HydrophobicContact SD-CE 3.65Å; M197-M211 HydrophobicContact SD-CG 4.45Å; M197-M211 HydrophobicContact SD-SD 4Å; A207-M211 WeakPolarHBondContact O-CB 3.22Å; A207-M211 VanDerWaalsContact O-CG 3.31Å; A207-M211 WeakPolarHBondContact O-CG 3.18Å; A207-M211 PolarHBondContact O-N 3.25Å; Y208-M211 HydrophobicContact CD1-CE 3.69Å; Y208-M211 HydrophobicContact CE1-CE 4.07Å; Y208-M211 HydrophobicContact CG-CE 4.27Å; Y208-M211 PolarHBondContact O-N 3.19Å; Y208-M211 VanDerWaalsContact O-N 3.16Å; M211-S213 PolarHBondContact O-N 3.38Å; M211-G214 PolarHBondContact O-N 2.72Å; M211-G214 VanDerWaalsContact O-N 3.13Å; M211-Y215 VanDerWaalsContact O-CB 3.22Å; M211-Y215 WeakPolarHBondContact O-CB 3.47Å; M211-Y215 PolarHBondContact O-N 3.22Å; M211-A231 HydrophobicContact CG-CB 3.56Å
212	D	98.3	Very high	97.3	Very high	104 Å²	104	61.8 Å²	61.8	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-32	-176.9	-71.1	-33.6	0	0	0	111.7	Y208	Y208-D212 WeakPolarHBondContact O-CB 3.25Å; Y208-D212 PolarHBondContact O-N 3.3Å
213	S	97.7	Very high	97.5	Very high	99 Å²	99	64 Å²	64	69%	0.692	34%	0.341	S	S	*	.	H	α-helix	trans	-71.3	-28.9	178.5	75	0	0	0	0	114.1	G209 V210 M211	G209-S213 WeakPolarHBondContact O-CB 3.16Å; G209-S213 PolarHBondContact O-OG 3.27Å; V210-S213 PolarHBondContact O-N 3.3Å; V210-S213 PolarHBondContact O-OG 3.42Å; M211-S213 PolarHBondContact O-N 3.38Å
214	G	96.3	Very high	97.6	Very high	23 Å²	23	64 Å²	64	24%	0.237	34%	0.341	C	S	.	.	H	α-helix	trans	-111.5	-8.9	-174	0	0	0	0	0	114.8	V210 M211	V210-G214 PolarHBondContact O-N 2.85Å; M211-G214 PolarHBondContact O-N 2.72Å; M211-G214 VanDerWaalsContact O-N 3.13Å
215	Y	98	Very high	97.7	Very high	61 Å²	61	62.7 Å²	62.7	24%	0.239	33%	0.333	C	S	.	.			trans	-70.5	131.1	-172.5	179.1	-103	0	0	0	112.9	F78 K79 M197 M211	F78-Y215 HydrophobicContact CB-CE2 4.21Å; F78-Y215 HydrophobicContact CD2-CD2 4.06Å; F78-Y215 AromaticContact CD2-CE2 3.83Å; F78-Y215 HydrophobicContact CD2-CE2 3.83Å; F78-Y215 HydrophobicContact CG-CD2 4.38Å; F78-Y215 HydrophobicContact CG-CE2 4.29Å; K79-Y215 WeakPolarHBondContact O-CE2 3.3Å; K79-Y215 PolarHBondContact O-OH 2.61Å; M197-Y215 HydrophobicContact CE-CD1 3.84Å; M197-Y215 HydrophobicContact CE-CD2 3.49Å; M197-Y215 VanDerWaalsContact CE-CD2 3.49Å; M197-Y215 HydrophobicContact CE-CE1 4.41Å; M197-Y215 HydrophobicContact CE-CE2 4.11Å; M197-Y215 HydrophobicContact CE-CG 3.33Å; M211-Y215 VanDerWaalsContact O-CB 3.22Å; M211-Y215 WeakPolarHBondContact O-CB 3.47Å; M211-Y215 PolarHBondContact O-N 3.22Å
216	R	97.3	Very high	97.8	Very high	112 Å²	112	60.6 Å²	60.6	42%	0.423	32%	0.318	S	S	.	.			trans	-140.4	149.8	166.9	-50	-175.3	-59.9	-84.4	4.8	109	D218 L219 E223	R216-D218 VanDerWaalsContact C-N 3.26Å; R216-D218 WeakPolarHBondContact CB-OD1 3.35Å; R216-D218 IonicContact NE-OD1 2.82Å; R216-D218 PolarHBondContact O-N 2.85Å; R216-L219 HydrophobicContact CB-CD2 4.48Å; R216-L219 HydrophobicContact CB-CG 4.15Å; R216-L219 VanDerWaalsContact O-CD1 3.3Å; R216-L219 WeakPolarHBondContact O-CD1 3.48Å; R216-L219 VanDerWaalsContact O-CG 3.24Å; R216-L219 WeakPolarHBondContact O-CG 3.31Å; R216-E223 IonicContact NH2-OE1 3.84Å; R216-E223 PolarHBondContact NH2-OE1 3.29Å; R216-E223 IonicContact NH2-OE2 2.82Å
217	Q	95.5	Very high	97.8	Very high	140 Å²	140	56.4 Å²	56.4	65%	0.654	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-27	-178.5	-170.1	173	-1.4	0	0	112.4	Q81	Q81-Q217 WeakPolarHBondContact CB-O 3.21Å; Q81-Q217 PolarHBondContact N-O 3.02Å
218	D	97.1	Very high	97.8	Very high	106 Å²	106	56.4 Å²	56.4	57%	0.567	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	20	-175.8	65.4	-26.5	0	0	0	113.6	R216 S220	R216-D218 VanDerWaalsContact C-N 3.26Å; R216-D218 WeakPolarHBondContact CB-OD1 3.35Å; R216-D218 IonicContact NE-OD1 2.82Å; R216-D218 PolarHBondContact O-N 2.85Å; D218-S220 PolarHBondContact O-N 2.75Å
219	L	97.5	Very high	97.8	Very high	4 Å²	4	55 Å²	55	2%	0.021	30%	0.297	C	S	.	.			trans	-56.6	136.7	174	-72.3	165.3	0	0	0	111.3	F80 H82 R216 E223 A224 L227	F80-L219 HydrophobicContact CD2-CB 4.25Å; F80-L219 WeakPolarHBondContact CD2-O 3.28Å; H82-L219 PolarHBondContact CE1-O 3.35Å; H82-L219 PolarHBondContact ND1-O 3.14Å; R216-L219 HydrophobicContact CB-CD2 4.48Å; R216-L219 HydrophobicContact CB-CG 4.15Å; R216-L219 VanDerWaalsContact O-CD1 3.3Å; R216-L219 WeakPolarHBondContact O-CD1 3.48Å; R216-L219 VanDerWaalsContact O-CG 3.24Å; R216-L219 WeakPolarHBondContact O-CG 3.31Å; L219-E223 HydrophobicContact CB-CB 4.48Å; L219-E223 HydrophobicContact CD2-CB 3.73Å; L219-A224 HydrophobicContact CB-CB 4.25Å; L219-L227 HydrophobicContact CD1-CD2 3.9Å
220	S	98	Very high	97.8	Very high	44 Å²	44	57.3 Å²	57.3	31%	0.308	29%	0.29	S	S	.	.			trans	-64.9	156.5	163.4	67.2	0	0	0	0	110.3	D218 E222 E223 A224	D218-S220 PolarHBondContact O-N 2.75Å; S220-E222 VanDerWaalsContact C-N 3.27Å; S220-E222 PolarHBondContact O-N 3.2Å; S220-E223 WeakPolarHBondContact CB-OE2 3.35Å; S220-E223 PolarHBondContact N-OE2 2.92Å; S220-E223 PolarHBondContact O-N 3.39Å; S220-E223 WeakPolarHBondContact OG-CB 3.29Å; S220-E223 WeakPolarHBondContact OG-CG 3.29Å; S220-E223 PolarHBondContact OG-N 3Å; S220-E223 PolarHBondContact OG-OE2 3.26Å; S220-A224 WeakPolarHBondContact O-CB 3.12Å; S220-A224 PolarHBondContact O-N 2.95Å
221	P	97.9	Very high	97.8	Very high	40 Å²	40	55.8 Å²	55.8	26%	0.26	28%	0.281	S	S	.	.	H	α-helix	trans	-54	-41.9	177.1	-28.3	36.4	0	0	0	113.5	H82 A224 Y225	H82-P221 HydrophobicContact CB-CG 4.34Å; P221-A224 PolarHBondContact O-N 2.89Å; P221-Y225 HydrophobicContact CB-CE2 4.16Å; P221-Y225 VanDerWaalsContact O-CD1 3.22Å; P221-Y225 WeakPolarHBondContact O-CD1 3.22Å; P221-Y225 VanDerWaalsContact O-CD2 3.25Å; P221-Y225 WeakPolarHBondContact O-CD2 3.36Å; P221-Y225 PolarHBondContact O-N 2.82Å
222	E	98	Very high	97.8	Very high	133 Å²	133	55.8 Å²	55.8	62%	0.621	28%	0.281	S	S	*	.	H	α-helix	trans	-67	-41	179.8	-64.6	-54.7	134.7	0	0	112.7	S220 A224 Y225 D226	S220-E222 VanDerWaalsContact C-N 3.27Å; S220-E222 PolarHBondContact O-N 3.2Å; E222-A224 VanDerWaalsContact C-N 3.33Å; E222-Y225 PolarHBondContact O-N 3.21Å; E222-Y225 WeakPolarHBondContact OE1-CE2 3.43Å; E222-D226 PolarHBondContact O-N 2.73Å
223	E	98.3	Very high	97.8	Very high	82 Å²	82	50.8 Å²	50.8	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-38.9	174.1	-69.4	169.7	115.8	0	0	111.6	R216 L219 S220 D226 L227	R216-E223 IonicContact NH2-OE1 3.84Å; R216-E223 PolarHBondContact NH2-OE1 3.29Å; R216-E223 IonicContact NH2-OE2 2.82Å; L219-E223 HydrophobicContact CB-CB 4.48Å; L219-E223 HydrophobicContact CD2-CB 3.73Å; S220-E223 WeakPolarHBondContact CB-OE2 3.35Å; S220-E223 PolarHBondContact N-OE2 2.92Å; S220-E223 PolarHBondContact O-N 3.39Å; S220-E223 WeakPolarHBondContact OG-CB 3.29Å; S220-E223 WeakPolarHBondContact OG-CG 3.29Å; S220-E223 PolarHBondContact OG-N 3Å; S220-E223 PolarHBondContact OG-OE2 3.26Å; E223-D226 PolarHBondContact O-N 3.19Å; E223-L227 WeakPolarHBondContact O-CB 3.27Å; E223-L227 PolarHBondContact O-N 2.71Å
224	A	98.5	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-40.3	175.9	0	0	0	0	0	111.6	F78 F80 I85 L219 S220 P221 E222 A228	F78-A224 HydrophobicContact CE2-CB 4.09Å; F78-A224 HydrophobicContact CZ-CB 4.24Å; F80-A224 HydrophobicContact CD2-CB 4.04Å; F80-A224 HydrophobicContact CE1-CB 4.46Å; F80-A224 HydrophobicContact CE2-CB 3.75Å; F80-A224 HydrophobicContact CG-CB 4.48Å; F80-A224 HydrophobicContact CZ-CB 3.98Å; I85-A224 HydrophobicContact CD1-CB 4.47Å; I85-A224 HydrophobicContact CG1-CB 3.97Å; L219-A224 HydrophobicContact CB-CB 4.25Å; S220-A224 WeakPolarHBondContact O-CB 3.12Å; S220-A224 PolarHBondContact O-N 2.95Å; P221-A224 PolarHBondContact O-N 2.89Å; E222-A224 VanDerWaalsContact C-N 3.33Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3Å
225	Y	98.5	Very high	97.9	Very high	23 Å²	23	49 Å²	49	9%	0.09	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-45.2	174.2	-56.1	-25.7	0	0	0	111.4	I85 P221 E222 A228 R229 M248 H250 V259	I85-Y225 HydrophobicContact CD1-CD1 3.75Å; I85-Y225 HydrophobicContact CD1-CE1 3.59Å; P221-Y225 HydrophobicContact CB-CE2 4.16Å; P221-Y225 VanDerWaalsContact O-CD1 3.22Å; P221-Y225 WeakPolarHBondContact O-CD1 3.22Å; P221-Y225 VanDerWaalsContact O-CD2 3.25Å; P221-Y225 WeakPolarHBondContact O-CD2 3.36Å; P221-Y225 PolarHBondContact O-N 2.82Å; E222-Y225 PolarHBondContact O-N 3.21Å; E222-Y225 WeakPolarHBondContact OE1-CE2 3.43Å; Y225-A228 PolarHBondContact O-N 3.05Å; Y225-R229 VanDerWaalsContact O-CB 3.22Å; Y225-R229 WeakPolarHBondContact O-CB 3.28Å; Y225-R229 PolarHBondContact O-N 2.81Å; Y225-M248 HydrophobicContact CD1-SD 3.8Å; Y225-M248 HydrophobicContact CG-SD 4.08Å; Y225-M248 WeakPolarHBondContact O-CE 3.4Å; Y225-H250 HydrophobicContact CE1-CB 4.03Å; Y225-H250 AromaticContact CE1-ND1 3.6Å; Y225-H250 AromaticContact CZ-ND1 3.64Å; Y225-H250 PolarHBondContact OH-ND1 2.88Å; Y225-V259 HydrophobicContact CD1-CG1 4.19Å; Y225-V259 HydrophobicContact CD1-CG2 4.37Å; Y225-V259 HydrophobicContact CD2-CG1 4Å; Y225-V259 HydrophobicContact CE1-CG1 4.26Å; Y225-V259 HydrophobicContact CE1-CG2 3.87Å; Y225-V259 HydrophobicContact CE2-CG1 4.07Å; Y225-V259 HydrophobicContact CG-CG1 4.07Å
226	D	97.9	Very high	97.9	Very high	46 Å²	46	46.9 Å²	46.9	25%	0.246	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-41.1	178.9	-165.5	51.3	0	0	0	112.4	E222 E223 R229 R230 Y271	E222-D226 PolarHBondContact O-N 2.73Å; E223-D226 PolarHBondContact O-N 3.19Å; D226-R229 PolarHBondContact O-N 3.01Å; D226-R229 IonicContact OD1-NH1 3.65Å; D226-R229 PolarHBondContact OD1-NH1 3.37Å; D226-R230 WeakPolarHBondContact O-CB 3.37Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.49Å; D226-R230 PolarHBondContact O-N 3.21Å; D226-R230 IonicContact OD1-NE 2.72Å; D226-R230 IonicContact OD2-CZ 3.78Å; D226-R230 IonicContact OD2-NE 2.85Å; D226-R230 PolarHBondContact OD2-NE 3.08Å; D226-R230 IonicContact OD2-NH2 3.19Å; D226-R230 PolarHBondContact OD2-NH2 3.4Å; D226-Y271 PolarHBondContact OD1-OH 2.95Å
227	L	98.4	Very high	97.8	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-50.5	175.2	-179.5	61.2	0	0	0	111.7	F78 L219 E223 R229 R230 A231	F78-L227 HydrophobicContact CZ-CD2 4.35Å; L219-L227 HydrophobicContact CD1-CD2 3.9Å; E223-L227 WeakPolarHBondContact O-CB 3.27Å; E223-L227 PolarHBondContact O-N 2.71Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-R229 PolarHBondContact O-N 3.05Å; L227-R230 PolarHBondContact O-N 3.21Å; L227-A231 WeakPolarHBondContact O-CB 3.18Å; L227-A231 PolarHBondContact O-N 3.28Å
228	A	98.5	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-42.8	179.7	0	0	0	0	0	112	L76 F78 I85 A87 A224 Y225 A231 I232 M248	L76-A228 HydrophobicContact CD1-CB 4.13Å; F78-A228 HydrophobicContact CE1-CB 3.81Å; F78-A228 HydrophobicContact CZ-CB 4.16Å; I85-A228 HydrophobicContact CG2-CB 3.52Å; A87-A228 HydrophobicContact CB-CB 4.06Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3Å; Y225-A228 PolarHBondContact O-N 3.05Å; A228-A231 PolarHBondContact O-N 3.03Å; A228-I232 PolarHBondContact O-N 3.47Å; A228-I232 VanDerWaalsContact O-N 3.14Å; A228-M248 HydrophobicContact CB-CE 4.2Å; A228-M248 HydrophobicContact CB-SD 4.42Å
229	R	98.3	Very high	97.9	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.147	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-51.8	177.4	-172.1	-174.5	-55.6	113.8	-2.1	111.3	Y225 D226 L227 A231 I232 V233 M248 E260 L267 Y271	Y225-R229 VanDerWaalsContact O-CB 3.22Å; Y225-R229 WeakPolarHBondContact O-CB 3.28Å; Y225-R229 PolarHBondContact O-N 2.81Å; D226-R229 PolarHBondContact O-N 3.01Å; D226-R229 IonicContact OD1-NH1 3.65Å; D226-R229 PolarHBondContact OD1-NH1 3.37Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-R229 PolarHBondContact O-N 3.05Å; R229-A231 VanDerWaalsContact C-N 3.3Å; R229-A231 PolarHBondContact O-N 2.65Å; R229-I232 PolarHBondContact O-N 3.17Å; R229-V233 HydrophobicContact CG-CG2 4.38Å; R229-V233 WeakPolarHBondContact O-CB 3.31Å; R229-V233 WeakPolarHBondContact O-CG2 3.38Å; R229-V233 PolarHBondContact O-N 3.09Å; R229-M248 HydrophobicContact CB-CE 3.79Å; R229-E260 IonicContact CZ-OE1 3.28Å; R229-E260 IonicContact CZ-OE2 3.56Å; R229-E260 VanDerWaalsContact CZ-OE2 3.28Å; R229-E260 VanDerWaalsContact NE-CD 3.31Å; R229-E260 IonicContact NE-OE1 3Å; R229-E260 PolarHBondContact NE-OE1 2.97Å; R229-E260 IonicContact NE-OE2 3.2Å; R229-E260 PolarHBondContact NE-OE2 3.41Å; R229-E260 IonicContact NH2-OE1 3.66Å; R229-E260 IonicContact NH2-OE2 2.71Å; R229-E260 PolarHBondContact NH2-OE2 3.17Å; R229-L267 HydrophobicContact CG-CD1 3.63Å; R229-L267 HydrophobicContact CG-CD2 4.39Å; R229-Y271 WeakPolarHBondContact CD-OH 3.2Å
230	R	97.8	Very high	97.8	Very high	98 Å²	98	46.7 Å²	46.7	37%	0.37	22%	0.222	S	C	.	.	H	α-helix	trans	-58.9	-42	177.9	-73.6	-180	-167.9	-136.3	9.3	111.7	V210 D226 L227 V233 Y234 Y271	V210-R230 HydrophobicContact CG1-CB 4.2Å; D226-R230 WeakPolarHBondContact O-CB 3.37Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.49Å; D226-R230 PolarHBondContact O-N 3.21Å; D226-R230 IonicContact OD1-NE 2.72Å; D226-R230 IonicContact OD2-CZ 3.78Å; D226-R230 IonicContact OD2-NE 2.85Å; D226-R230 PolarHBondContact OD2-NE 3.08Å; D226-R230 IonicContact OD2-NH2 3.19Å; D226-R230 PolarHBondContact OD2-NH2 3.4Å; L227-R230 PolarHBondContact O-N 3.21Å; R230-V233 PolarHBondContact O-N 2.69Å; R230-Y234 HydrophobicContact CB-CD2 4.13Å; R230-Y234 HydrophobicContact CB-CE2 4.03Å; R230-Y234 HydrophobicContact CG-CE2 4.31Å; R230-Y234 WeakPolarHBondContact O-CD2 3.36Å; R230-Y234 PolarHBondContact O-N 3.32Å; R230-Y271 HydrophobicContact CG-CE1 4.38Å; R230-Y271 HydrophobicContact CG-CE2 4.06Å
231	A	98.4	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-45.3	180	0	0	0	0	0	112.5	L76 V210 M211 L227 A228 R229 A235	L76-A231 HydrophobicContact CD2-CB 3.51Å; V210-A231 HydrophobicContact CB-CB 4.07Å; V210-A231 HydrophobicContact CG1-CB 4.05Å; M211-A231 HydrophobicContact CG-CB 3.56Å; L227-A231 WeakPolarHBondContact O-CB 3.18Å; L227-A231 PolarHBondContact O-N 3.28Å; A228-A231 PolarHBondContact O-N 3.03Å; R229-A231 VanDerWaalsContact C-N 3.3Å; R229-A231 PolarHBondContact O-N 2.65Å; A231-A235 VanDerWaalsContact O-CB 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.12Å; A231-A235 PolarHBondContact O-N 3.4Å; A231-A235 VanDerWaalsContact O-N 3.14Å
232	I	98.3	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-47.7	173	-64.8	-62	0	0	0	110.8	T74 L76 A87 D89 A228 R229 Y234 A235 T236 V246	T74-I232 HydrophobicContact CG2-CD1 3.71Å; L76-I232 HydrophobicContact CD2-CD1 3.54Å; L76-I232 HydrophobicContact CD2-CG1 3.73Å; L76-I232 HydrophobicContact CG-CD1 3.85Å; L76-I232 HydrophobicContact CG-CG1 4.21Å; A87-I232 HydrophobicContact CB-CD1 4.44Å; A87-I232 HydrophobicContact CB-CG1 3.77Å; D89-I232 HydrophobicContact CB-CG2 4.13Å; A228-I232 PolarHBondContact O-N 3.47Å; A228-I232 VanDerWaalsContact O-N 3.14Å; R229-I232 PolarHBondContact O-N 3.17Å; I232-Y234 PolarHBondContact O-N 3.14Å; I232-A235 WeakPolarHBondContact O-CB 3.36Å; I232-A235 PolarHBondContact O-N 2.58Å; I232-A235 VanDerWaalsContact O-N 3.17Å; I232-T236 HydrophobicContact CG2-CG2 4.01Å; I232-T236 VanDerWaalsContact O-CG2 3.24Å; I232-T236 WeakPolarHBondContact O-CG2 3.28Å; I232-T236 PolarHBondContact O-N 3.27Å; I232-T236 PolarHBondContact O-OG1 3.21Å; I232-V246 HydrophobicContact CB-CG1 4.21Å; I232-V246 HydrophobicContact CB-CG2 4.28Å; I232-V246 HydrophobicContact CG1-CG1 4.38Å; I232-V246 HydrophobicContact CG2-CB 4.47Å; I232-V246 HydrophobicContact CG2-CG1 4.24Å; I232-V246 HydrophobicContact CG2-CG2 3.82Å
233	V	97.9	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-48.8	-176.5	168	0	0	0	0	111.7	R229 R230 A235 T236 H237 V246 L267 L268 Y271	R229-V233 HydrophobicContact CG-CG2 4.38Å; R229-V233 WeakPolarHBondContact O-CB 3.31Å; R229-V233 WeakPolarHBondContact O-CG2 3.38Å; R229-V233 PolarHBondContact O-N 3.09Å; R230-V233 PolarHBondContact O-N 2.69Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 3.32Å; V233-T236 PolarHBondContact O-N 3.31Å; V233-T236 PolarHBondContact O-OG1 2.83Å; V233-H237 PolarHBondContact O-N 3.23Å; V233-V246 HydrophobicContact CG2-CG2 3.92Å; V233-L267 HydrophobicContact CG1-CB 4.46Å; V233-L267 HydrophobicContact CG2-CB 3.82Å; V233-L267 HydrophobicContact CG2-CD1 3.63Å; V233-L267 HydrophobicContact CG2-CG 4.38Å; V233-L268 HydrophobicContact CG1-CD2 3.32Å; V233-L268 HydrophobicContact CG1-CG 3.6Å; V233-Y271 HydrophobicContact CB-CE2 4.26Å; V233-Y271 HydrophobicContact CG1-CD2 3.98Å; V233-Y271 HydrophobicContact CG1-CE2 3.98Å; V233-Y271 HydrophobicContact CG2-CE2 4.29Å
234	Y	97.7	Very high	97.4	Very high	84 Å²	84	37.2 Å²	37.2	33%	0.329	17%	0.17	S	C	.	.	H	α-helix	trans	-70.7	-29.8	178.9	-69	-57.4	0	0	0	113	V210 R230 I232 H237 R238	V210-Y234 HydrophobicContact CG1-CD2 4.32Å; V210-Y234 HydrophobicContact CG2-CD2 3.98Å; V210-Y234 HydrophobicContact CG2-CG 4.39Å; R230-Y234 HydrophobicContact CB-CD2 4.13Å; R230-Y234 HydrophobicContact CB-CE2 4.03Å; R230-Y234 HydrophobicContact CG-CE2 4.31Å; R230-Y234 WeakPolarHBondContact O-CD2 3.36Å; R230-Y234 PolarHBondContact O-N 3.32Å; I232-Y234 PolarHBondContact O-N 3.14Å; Y234-H237 WeakPolarHBondContact O-CB 3.47Å; Y234-H237 PolarHBondContact O-N 3.42Å; Y234-R238 PolarHBondContact O-N 3.34Å
235	A	98	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-47.9	170.8	0	0	0	0	0	111.6	T74 A207 A231 I232 V233 H237 R238 D239	T74-A235 HydrophobicContact CG2-CB 3.75Å; A207-A235 HydrophobicContact CB-CB 4.28Å; A231-A235 VanDerWaalsContact O-CB 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.12Å; A231-A235 PolarHBondContact O-N 3.4Å; A231-A235 VanDerWaalsContact O-N 3.14Å; I232-A235 WeakPolarHBondContact O-CB 3.36Å; I232-A235 PolarHBondContact O-N 2.58Å; I232-A235 VanDerWaalsContact O-N 3.17Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 3.32Å; A235-H237 PolarHBondContact O-N 3.04Å; A235-R238 PolarHBondContact O-N 2.89Å; A235-R238 VanDerWaalsContact O-N 3.08Å; A235-D239 WeakPolarHBondContact O-CB 3.24Å; A235-D239 PolarHBondContact O-N 2.69Å
236	T	97.3	Very high	97.3	Very high	16 Å²	16	36.4 Å²	36.4	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-21.9	176.6	64.5	0	0	0	0	113.5	D89 I232 V233 R238 V264	D89-T236 HydrophobicContact CB-CG2 3.92Å; I232-T236 HydrophobicContact CG2-CG2 4.01Å; I232-T236 VanDerWaalsContact O-CG2 3.24Å; I232-T236 WeakPolarHBondContact O-CG2 3.28Å; I232-T236 PolarHBondContact O-N 3.27Å; I232-T236 PolarHBondContact O-OG1 3.21Å; V233-T236 PolarHBondContact O-N 3.31Å; V233-T236 PolarHBondContact O-OG1 2.83Å; T236-R238 VanDerWaalsContact C-N 3.35Å; T236-V264 HydrophobicContact CG2-CG2 4.33Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.17Å
237	H	97.1	Very high	97.3	Very high	81 Å²	81	34.6 Å²	34.6	38%	0.375	16%	0.157	S	C	.	.	H	α-helix	trans	-72.9	-29	174.7	-171.4	47.6	0	0	0	112.6	V233 Y234 A235 L268 R272	V233-H237 PolarHBondContact O-N 3.23Å; Y234-H237 WeakPolarHBondContact O-CB 3.47Å; Y234-H237 PolarHBondContact O-N 3.42Å; A235-H237 PolarHBondContact O-N 3.04Å; H237-L268 HydrophobicContact CB-CD1 4.43Å; H237-L268 HydrophobicContact CB-CD2 4.1Å; H237-R272 PolarHBondContact CE1-NH2 3.34Å; H237-R272 VanDerWaalsContact CE1-NH2 3.26Å
238	R	97	Very high	97.3	Very high	179 Å²	179	33.8 Å²	33.8	68%	0.675	15%	0.153	S	C	*	.	H	α-helix	trans	-103	-39.3	-176.3	-66.5	-62.4	-171.7	173.8	0	113.2	Y206 Y234 A235 T236	Y206-R238 HydrophobicContact CD1-CB 3.71Å; Y206-R238 HydrophobicContact CD1-CG 4.07Å; Y206-R238 HydrophobicContact CD2-CB 3.96Å; Y206-R238 HydrophobicContact CE1-CB 3.63Å; Y206-R238 HydrophobicContact CE1-CG 4.18Å; Y206-R238 HydrophobicContact CE2-CB 3.9Å; Y206-R238 HydrophobicContact CG-CB 3.88Å; Y234-R238 PolarHBondContact O-N 3.34Å; A235-R238 PolarHBondContact O-N 2.89Å; A235-R238 VanDerWaalsContact O-N 3.08Å; T236-R238 VanDerWaalsContact C-N 3.35Å
239	D	96.4	Very high	97.3	Very high	14 Å²	14	33.9 Å²	33.9	8%	0.075	15%	0.153	C	C	.	.			trans	-84.8	117.3	178.3	178.8	28.2	0	0	0	111.1	S202 G203 Y206 A235 Y241 S242	S202-D239 WeakPolarHBondContact CB-OD2 3.36Å; S202-D239 PolarHBondContact OG-OD2 2.91Å; G203-D239 PolarHBondContact N-OD2 2.82Å; Y206-D239 HydrophobicContact CD2-CB 4.05Å; Y206-D239 HydrophobicContact CE2-CB 3.91Å; A235-D239 WeakPolarHBondContact O-CB 3.24Å; A235-D239 PolarHBondContact O-N 2.69Å; D239-Y241 PolarHBondContact O-N 3.35Å; D239-Y241 PolarHBondContact OD1-N 3.14Å; D239-S242 PolarHBondContact O-N 3.25Å; D239-S242 WeakPolarHBondContact OD2-CB 3.44Å; D239-S242 PolarHBondContact OD2-N 3.39Å; D239-S242 PolarHBondContact OD2-OG 2.77Å
240	S	94.8	Very high	97.3	Very high	84 Å²	84	32.2 Å²	32.2	59%	0.587	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.7	-179.8	50	0	0	0	0	113.2	R91	R91-S240 PolarHBondContact NH1-O 3Å
241	Y	94.4	Very high	97.4	Very high	88 Å²	88	27.5 Å²	27.5	35%	0.345	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.6	-174.2	-54.7	-79	0	0	0	114	G72 R91 D239	G72-Y241 CarbonylContact C-O 3.5Å; R91-Y241 WeakPolarHBondContact CD-O 3.13Å; D239-Y241 PolarHBondContact O-N 3.35Å; D239-Y241 PolarHBondContact OD1-N 3.14Å
242	S	96.1	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.			trans	-103	145.2	173.8	-64.4	0	0	0	0	111.1	T74 D89 R91 D239	T74-S242 PolarHBondContact N-OG 2.89Å; T74-S242 WeakPolarHBondContact OG1-CB 3.41Å; T74-S242 PolarHBondContact OG1-OG 2.97Å; D89-S242 WeakPolarHBondContact OD2-CA 3.49Å; R91-S242 PolarHBondContact NH1-O 2.95Å; D239-S242 PolarHBondContact O-N 3.25Å; D239-S242 WeakPolarHBondContact OD2-CB 3.44Å; D239-S242 PolarHBondContact OD2-N 3.39Å; D239-S242 PolarHBondContact OD2-OG 2.77Å
243	G	96.4	Very high	97.3	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	18%	0.178	C	C	.	.			trans	164.5	-160.3	175.1	0	0	0	0	0	115.1	D89 S90 R91	D89-G243 PolarHBondContact OD2-N 2.91Å; S90-G243 PolarHBondContact N-O 3.33Å; R91-G243 PolarHBondContact N-O 3.14Å
244	G	96.8	Very high	97.2	Very high	10 Å²	10	44.4 Å²	44.4	10%	0.103	21%	0.209	C	C	.	.	S	Bend	trans	87.3	-116	-179.8	0	0	0	0	0	111.9	V264	G244-V264 VanDerWaalsContact O-CB 3.23Å; G244-V264 WeakPolarHBondContact O-CB 3.34Å; G244-V264 WeakPolarHBondContact O-CG2 3.49Å; G244-V264 PolarHBondContact O-N 3.12Å
245	V	97.7	Very high	97.2	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.3	179.7	-54.5	0	0	0	0	110.6	D89 S90 R102 T262	D89-V245 CarbonylContact C-O 3.54Å; S90-V245 PolarHBondContact N-O 3.37Å; S90-V245 WeakPolarHBondContact OG-CG2 3.08Å; S90-V245 PolarHBondContact OG-N 2.79Å; R102-V245 HydrophobicContact CG-CG1 4.24Å; V245-T262 CarbonylContact C-O 3.58Å; V245-T262 VanDerWaalsContact CA-O 3.26Å; V245-T262 WeakPolarHBondContact CA-O 3.26Å; V245-T262 WeakPolarHBondContact CB-O 3.3Å
246	V	98.1	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.3	167.3	-173.4	0	0	0	0	107.8	I232 V233 S261 T262 V264 L267	I232-V246 HydrophobicContact CB-CG1 4.21Å; I232-V246 HydrophobicContact CB-CG2 4.28Å; I232-V246 HydrophobicContact CG1-CG1 4.38Å; I232-V246 HydrophobicContact CG2-CB 4.47Å; I232-V246 HydrophobicContact CG2-CG1 4.24Å; I232-V246 HydrophobicContact CG2-CG2 3.82Å; V233-V246 HydrophobicContact CG2-CG2 3.92Å; V246-S261 CarbonylContact O-C 3.56Å; V246-S261 VanDerWaalsContact O-CA 3.24Å; V246-S261 WeakPolarHBondContact O-CA 3.45Å; V246-T262 PolarHBondContact N-O 2.98Å; V246-T262 PolarHBondContact O-N 3.49Å; V246-V264 HydrophobicContact CG2-CG2 3.75Å; V246-L267 HydrophobicContact CG2-CD1 3.97Å
247	N	98.2	Very high	97.2	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.5	166.8	-73.8	-74.3	0	0	0	108.8	A87 V88 K258 S261	A87-N247 WeakPolarHBondContact CA-O 3.32Å; V88-N247 HydrophobicContact CG2-CB 3.84Å; V88-N247 PolarHBondContact N-O 3.3Å; V88-N247 PolarHBondContact O-N 3.47Å; N247-K258 PolarHBondContact OD1-NZ 3.49Å; N247-K258 VanDerWaalsContact OD1-NZ 3.08Å; N247-S261 PolarHBondContact OD1-OG 3.43Å
248	M	98.5	Very high	97.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.2	-177.7	-165.2	-166.9	-58.3	0	0	111.5	I85 V86 A87 Y225 A228 R229 V259 E260	I85-M248 HydrophobicContact CG2-CG 4.08Å; I85-M248 HydrophobicContact CG2-SD 4.27Å; V86-M248 CarbonylContact O-C 3.57Å; V86-M248 WeakPolarHBondContact O-CA 3.46Å; A87-M248 HydrophobicContact CB-CG 4.2Å; Y225-M248 HydrophobicContact CD1-SD 3.8Å; Y225-M248 HydrophobicContact CG-SD 4.08Å; Y225-M248 WeakPolarHBondContact O-CE 3.4Å; A228-M248 HydrophobicContact CB-CE 4.2Å; A228-M248 HydrophobicContact CB-SD 4.42Å; R229-M248 HydrophobicContact CB-CE 3.79Å; M248-V259 HydrophobicContact CB-CB 4.34Å; M248-V259 HydrophobicContact CG-CB 4.42Å; M248-V259 PolarHBondContact O-N 2.87Å; M248-V259 HydrophobicContact SD-CB 4.29Å; M248-V259 HydrophobicContact SD-CG1 4.14Å; M248-E260 HydrophobicContact CB-CG 3.66Å; M248-E260 HydrophobicContact CE-CG 3.99Å; M248-E260 WeakPolarHBondContact CE-OE1 3.44Å; M248-E260 PolarHBondContact N-O 3.2Å; M248-E260 VanDerWaalsContact N-O 3.08Å; M248-E260 PolarHBondContact O-N 3.24Å; M248-E260 HydrophobicContact SD-CG 4.43Å
249	Y	98.7	Very high	97.3	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.6	177.8	-71.3	-110.8	0	0	0	109.7	V86 V106 E108 L114 W256 V257 K258	V86-Y249 PolarHBondContact N-O 3.48Å; V86-Y249 PolarHBondContact O-N 3.41Å; V106-Y249 HydrophobicContact CB-CD2 4.06Å; V106-Y249 HydrophobicContact CB-CE2 3.8Å; V106-Y249 HydrophobicContact CG1-CD2 3.99Å; V106-Y249 HydrophobicContact CG1-CE2 4Å; V106-Y249 HydrophobicContact CG1-CG 4.28Å; V106-Y249 HydrophobicContact CG2-CD2 3.86Å; V106-Y249 HydrophobicContact CG2-CE2 3.96Å; E108-Y249 HydrophobicContact CG-CE1 4.17Å; E108-Y249 WeakPolarHBondContact OE1-CE1 3.24Å; E108-Y249 PolarHBondContact OE1-OH 3.35Å; L114-Y249 HydrophobicContact CD1-CD1 3.93Å; L114-Y249 HydrophobicContact CD1-CG 3.97Å; L114-Y249 HydrophobicContact CD2-CD1 4.21Å; L114-Y249 HydrophobicContact CD2-CE1 4.49Å; Y249-W256 HydrophobicContact CD1-CD2 4.14Å; Y249-W256 AromaticContact CD1-CE3 3.54Å; Y249-W256 HydrophobicContact CD1-CE3 3.54Å; Y249-W256 HydrophobicContact CD1-CZ3 4Å; Y249-W256 HydrophobicContact CE1-CD2 4.36Å; Y249-W256 AromaticContact CE1-CE3 3.64Å; Y249-W256 HydrophobicContact CE1-CE3 3.64Å; Y249-W256 HydrophobicContact CE1-CH2 4.27Å; Y249-W256 AromaticContact CE1-CZ3 3.6Å; Y249-W256 HydrophobicContact CE1-CZ3 3.6Å; Y249-V257 WeakPolarHBondContact CA-O 3.39Å; Y249-K258 HydrophobicContact CD1-CB 4.23Å; Y249-K258 HydrophobicContact CE1-CB 3.96Å; Y249-K258 HydrophobicContact CE1-CD 4.47Å; Y249-K258 HydrophobicContact CE1-CG 4.23Å; Y249-K258 HydrophobicContact CE2-CD 4.3Å; Y249-K258 HydrophobicContact CE2-CG 4.17Å
250	H	98.7	Very high	97.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.6	174	179.5	-178.6	0	0	0	108.8	F80 H82 I85 Y225 K252 W256 V257 V259	F80-H250 AromaticContact CE1-NE2 3.79Å; F80-H250 AromaticContact CZ-CE1 3.91Å; F80-H250 AromaticContact CZ-NE2 3.65Å; H82-H250 PolarHBondContact O-NE2 2.81Å; H82-H250 VanDerWaalsContact O-NE2 3.12Å; I85-H250 HydrophobicContact CD1-CB 3.97Å; Y225-H250 HydrophobicContact CE1-CB 4.03Å; Y225-H250 AromaticContact CE1-ND1 3.6Å; Y225-H250 AromaticContact CZ-ND1 3.64Å; Y225-H250 PolarHBondContact OH-ND1 2.88Å; H250-K252 PolarHBondContact O-N 3.39Å; H250-W256 CarbonylContact O-C 3.16Å; H250-W256 WeakPolarHBondContact O-CA 3.23Å; H250-V257 HydrophobicContact CB-CG2 3.97Å; H250-V257 PolarHBondContact N-O 3.14Å; H250-V257 PolarHBondContact O-N 2.91Å; H250-V259 HydrophobicContact CB-CG2 3.6Å
251	M	98.5	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.3	171.9	-174.3	61.4	64.2	0	0	110.3	G83 V84 L114 W176 W256	G83-M251 WeakPolarHBondContact CA-O 3.25Å; V84-M251 HydrophobicContact CB-CB 3.95Å; V84-M251 HydrophobicContact CG2-CB 4.42Å; V84-M251 PolarHBondContact N-O 2.81Å; V84-M251 VanDerWaalsContact N-O 3.11Å; V84-M251 PolarHBondContact O-N 2.6Å; L114-M251 HydrophobicContact CB-CE 4.29Å; L114-M251 HydrophobicContact CD1-CE 3.95Å; L114-M251 HydrophobicContact CG-CE 3.69Å; W176-M251 HydrophobicContact CB-CG 4.37Å; M251-W256 HydrophobicContact CE-CB 3.69Å; M251-W256 HydrophobicContact CE-CG 4.21Å; M251-W256 HydrophobicContact SD-CB 4.05Å
252	K	97.9	Very high	97.6	Very high	76 Å²	76	37.7 Å²	37.7	33%	0.33	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	177.7	174.6	-60.5	179.5	-178.1	179.2	0	110.3	W176 H250 D254 G255	W176-K252 WeakPolarHBondContact CB-O 3.5Å; W176-K252 VanDerWaalsContact CE3-C 3.45Å; H250-K252 PolarHBondContact O-N 3.39Å; K252-D254 VanDerWaalsContact C-N 3.26Å; K252-D254 VanDerWaalsContact CB-OD1 3.23Å; K252-D254 WeakPolarHBondContact CB-OD1 3.42Å; K252-D254 PolarHBondContact O-N 2.82Å; K252-G255 WeakPolarHBondContact CA-O 3.09Å; K252-G255 WeakPolarHBondContact CB-O 3.22Å; K252-G255 PolarHBondContact N-O 2.96Å; K252-G255 PolarHBondContact O-N 2.93Å
253	K	96.4	Very high	97.7	Very high	157 Å²	157	39.7 Å²	39.7	68%	0.683	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.1	179.1	-174.8	176.3	179	-177	0	113.3	W176	W176-K253 HydrophobicContact CD2-CB 4.01Å; W176-K253 HydrophobicContact CD2-CG 4.48Å; W176-K253 HydrophobicContact CE3-CB 4.37Å; W176-K253 HydrophobicContact CG-CB 4.42Å; W176-K253 HydrophobicContact CH2-CB 4.43Å; W176-K253 HydrophobicContact CZ2-CB 4.09Å; W176-K253 HydrophobicContact CZ2-CG 4.4Å
254	D	96	Very high	97.7	Very high	122 Å²	122	40 Å²	40	65%	0.652	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	5.8	-177.3	61.6	-33.5	0	0	0	113.8	Y112 K252	Y112-D254 WeakPolarHBondContact CE1-O 3.31Å; K252-D254 VanDerWaalsContact C-N 3.26Å; K252-D254 VanDerWaalsContact CB-OD1 3.23Å; K252-D254 WeakPolarHBondContact CB-OD1 3.42Å; K252-D254 PolarHBondContact O-N 2.82Å
255	G	97.4	Very high	97.7	Very high	6 Å²	6	42.2 Å²	42.2	6%	0.062	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.8	-179	179.5	0	0	0	0	0	112.1	P111 K252	P111-G255 WeakPolarHBondContact O-CA 3.34Å; K252-G255 WeakPolarHBondContact CA-O 3.09Å; K252-G255 WeakPolarHBondContact CB-O 3.22Å; K252-G255 PolarHBondContact N-O 2.96Å; K252-G255 PolarHBondContact O-N 2.93Å
256	W	98.3	Very high	97.7	Very high	59 Å²	59	47.1 Å²	47.1	22%	0.223	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	152	173.9	57.4	-99.8	0	0	0	111.9	E108 N110 P111 L114 Y249 H250 M251	E108-W256 HydrophobicContact CB-CH2 4.45Å; E108-W256 HydrophobicContact CB-CZ2 3.78Å; E108-W256 VanDerWaalsContact CD-CZ2 3.46Å; E108-W256 HydrophobicContact CG-CH2 3.8Å; E108-W256 HydrophobicContact CG-CZ2 3.54Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.41Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.45Å; N110-W256 PolarHBondContact O-NE1 3.45Å; P111-W256 VanDerWaalsContact C-CD1 3.43Å; P111-W256 PolarHBondContact O-N 3.45Å; P111-W256 VanDerWaalsContact O-N 3.14Å; L114-W256 HydrophobicContact CD1-CB 3.81Å; L114-W256 HydrophobicContact CD1-CG 4.04Å; L114-W256 HydrophobicContact CD2-CB 4.38Å; L114-W256 HydrophobicContact CD2-CD2 3.9Å; L114-W256 HydrophobicContact CD2-CG 3.69Å; L114-W256 HydrophobicContact CG-CB 4.12Å; L114-W256 HydrophobicContact CG-CG 3.89Å; Y249-W256 HydrophobicContact CD1-CD2 4.14Å; Y249-W256 AromaticContact CD1-CE3 3.54Å; Y249-W256 HydrophobicContact CD1-CE3 3.54Å; Y249-W256 HydrophobicContact CD1-CZ3 4Å; Y249-W256 HydrophobicContact CE1-CD2 4.36Å; Y249-W256 AromaticContact CE1-CE3 3.64Å; Y249-W256 HydrophobicContact CE1-CE3 3.64Å; Y249-W256 HydrophobicContact CE1-CH2 4.27Å; Y249-W256 AromaticContact CE1-CZ3 3.6Å; Y249-W256 HydrophobicContact CE1-CZ3 3.6Å; H250-W256 CarbonylContact O-C 3.16Å; H250-W256 WeakPolarHBondContact O-CA 3.23Å; M251-W256 HydrophobicContact CE-CB 3.69Å; M251-W256 HydrophobicContact CE-CG 4.21Å; M251-W256 HydrophobicContact SD-CB 4.05Å
257	V	98.3	Very high	97.7	Very high	58 Å²	58	47.6 Å²	47.6	35%	0.352	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.9	167.3	-62.2	0	0	0	0	109.4	Y249 H250 V259	Y249-V257 WeakPolarHBondContact CA-O 3.39Å; H250-V257 HydrophobicContact CB-CG2 3.97Å; H250-V257 PolarHBondContact N-O 3.14Å; H250-V257 PolarHBondContact O-N 2.91Å; V257-V259 HydrophobicContact CG2-CG2 4.47Å; V257-V259 PolarHBondContact O-N 3.32Å
258	K	98	Very high	97.5	Very high	96 Å²	96	48.7 Å²	48.7	42%	0.417	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.4	169	-172.1	170.2	-173.4	167.3	0	108.2	N247 Y249	N247-K258 PolarHBondContact OD1-NZ 3.49Å; N247-K258 VanDerWaalsContact OD1-NZ 3.08Å; Y249-K258 HydrophobicContact CD1-CB 4.23Å; Y249-K258 HydrophobicContact CE1-CB 3.96Å; Y249-K258 HydrophobicContact CE1-CD 4.47Å; Y249-K258 HydrophobicContact CE1-CG 4.23Å; Y249-K258 HydrophobicContact CE2-CD 4.3Å; Y249-K258 HydrophobicContact CE2-CG 4.17Å
259	V	98	Very high	97.5	Very high	48 Å²	48	53.5 Å²	53.5	29%	0.291	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-51.3	-175.9	178.2	0	0	0	0	110.1	Y225 M248 H250 V257	Y225-V259 HydrophobicContact CD1-CG1 4.19Å; Y225-V259 HydrophobicContact CD1-CG2 4.37Å; Y225-V259 HydrophobicContact CD2-CG1 4Å; Y225-V259 HydrophobicContact CE1-CG1 4.26Å; Y225-V259 HydrophobicContact CE1-CG2 3.87Å; Y225-V259 HydrophobicContact CE2-CG1 4.07Å; Y225-V259 HydrophobicContact CG-CG1 4.07Å; M248-V259 HydrophobicContact CB-CB 4.34Å; M248-V259 HydrophobicContact CG-CB 4.42Å; M248-V259 PolarHBondContact O-N 2.87Å; M248-V259 HydrophobicContact SD-CB 4.29Å; M248-V259 HydrophobicContact SD-CG1 4.14Å; H250-V259 HydrophobicContact CB-CG2 3.6Å; V257-V259 HydrophobicContact CG2-CG2 4.47Å; V257-V259 PolarHBondContact O-N 3.32Å
260	E	96.5	Very high	97.3	Very high	28 Å²	28	60 Å²	60	13%	0.131	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	166	-176.1	60.7	174	-148.7	0	0	113.4	R229 M248	R229-E260 IonicContact CZ-OE1 3.28Å; R229-E260 IonicContact CZ-OE2 3.56Å; R229-E260 VanDerWaalsContact CZ-OE2 3.28Å; R229-E260 VanDerWaalsContact NE-CD 3.31Å; R229-E260 IonicContact NE-OE1 3Å; R229-E260 PolarHBondContact NE-OE1 2.97Å; R229-E260 IonicContact NE-OE2 3.2Å; R229-E260 PolarHBondContact NE-OE2 3.41Å; R229-E260 IonicContact NH2-OE1 3.66Å; R229-E260 IonicContact NH2-OE2 2.71Å; R229-E260 PolarHBondContact NH2-OE2 3.17Å; M248-E260 HydrophobicContact CB-CG 3.66Å; M248-E260 HydrophobicContact CE-CG 3.99Å; M248-E260 WeakPolarHBondContact CE-OE1 3.44Å; M248-E260 PolarHBondContact N-O 3.2Å; M248-E260 VanDerWaalsContact N-O 3.08Å; M248-E260 PolarHBondContact O-N 3.24Å; M248-E260 HydrophobicContact SD-CG 4.43Å
261	S	97.5	Very high	97.2	Very high	68 Å²	68	60.9 Å²	60.9	48%	0.476	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	73.5	172.4	174.5	0	0	0	0	107.7	V246 N247	V246-S261 CarbonylContact O-C 3.56Å; V246-S261 VanDerWaalsContact O-CA 3.24Å; V246-S261 WeakPolarHBondContact O-CA 3.45Å; N247-S261 PolarHBondContact OD1-OG 3.43Å
262	T	97.3	Very high	97	Very high	41 Å²	41	67.6 Å²	67.6	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.9	-166	-50.4	0	0	0	0	111.1	V245 V246 V264 L267	V245-T262 CarbonylContact C-O 3.58Å; V245-T262 VanDerWaalsContact CA-O 3.26Å; V245-T262 WeakPolarHBondContact CA-O 3.26Å; V245-T262 WeakPolarHBondContact CB-O 3.3Å; V246-T262 PolarHBondContact N-O 2.98Å; V246-T262 PolarHBondContact O-N 3.49Å; T262-V264 PolarHBondContact O-N 2.97Å; T262-L267 HydrophobicContact CG2-CD1 3.79Å; T262-L267 HydrophobicContact CG2-CD2 3.92Å; T262-L267 HydrophobicContact CG2-CG 3.76Å
263	D	97.9	Very high	96.8	Very high	42 Å²	42	70.4 Å²	70.4	23%	0.225	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.5	179.1	-159.9	-75.2	0	0	0	111.7	R102 S265 D266 L267	R102-D263 IonicContact NH2-OD2 3.83Å; D263-S265 VanDerWaalsContact C-N 3.27Å; D263-S265 PolarHBondContact O-N 3.46Å; D263-S265 WeakPolarHBondContact OD1-CB 3.48Å; D263-S265 PolarHBondContact OD1-N 3.16Å; D263-D266 HydrophobicContact CB-CB 4.42Å; D263-D266 PolarHBondContact O-N 3.08Å; D263-L267 WeakPolarHBondContact O-CG 3.38Å; D263-L267 PolarHBondContact O-N 3.26Å
264	V	97.4	Very high	96.6	Very high	9 Å²	9	66.8 Å²	66.8	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-34.9	-180	167	0	0	0	0	111.1	T236 G244 V246 T262 L267 L268	T236-V264 HydrophobicContact CG2-CG2 4.33Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.17Å; G244-V264 VanDerWaalsContact O-CB 3.23Å; G244-V264 WeakPolarHBondContact O-CB 3.34Å; G244-V264 WeakPolarHBondContact O-CG2 3.49Å; G244-V264 PolarHBondContact O-N 3.12Å; V246-V264 HydrophobicContact CG2-CG2 3.75Å; T262-V264 PolarHBondContact O-N 2.97Å; V264-L267 PolarHBondContact O-N 3.19Å; V264-L268 HydrophobicContact CG1-CD1 3.85Å; V264-L268 HydrophobicContact CG1-CG 4.24Å; V264-L268 WeakPolarHBondContact O-CG 3.5Å; V264-L268 PolarHBondContact O-N 2.92Å
265	S	96.7	Very high	96	Very high	58 Å²	58	66.6 Å²	66.6	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-48.8	-179	-164.8	0	0	0	0	110.5	D263 L267 L268 H269	D263-S265 VanDerWaalsContact C-N 3.27Å; D263-S265 PolarHBondContact O-N 3.46Å; D263-S265 WeakPolarHBondContact OD1-CB 3.48Å; D263-S265 PolarHBondContact OD1-N 3.16Å; S265-L267 VanDerWaalsContact C-N 3.28Å; S265-L267 PolarHBondContact O-N 3.42Å; S265-L268 PolarHBondContact O-N 2.97Å; S265-H269 PolarHBondContact O-CD2 3.33Å; S265-H269 PolarHBondContact O-N 3.22Å
266	D	97.6	Very high	94.2	Very high	108 Å²	108	76.2 Å²	76.2	58%	0.578	40%	0.401	S	S	*	.	H	α-helix	trans	-59.1	-41.1	178.5	-63.4	-19	0	0	0	111.4	D263 K270	D263-D266 HydrophobicContact CB-CB 4.42Å; D263-D266 PolarHBondContact O-N 3.08Å; D266-K270 WeakPolarHBondContact O-CB 3.42Å; D266-K270 PolarHBondContact O-N 2.91Å
267	L	97.2	Very high	94	Very high	11 Å²	11	77.1 Å²	77.1	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-67	-43.7	177.5	-68.1	171.7	0	0	0	112.6	R229 V233 V246 T262 D263 V264 S265 K270 Y271	R229-L267 HydrophobicContact CG-CD1 3.63Å; R229-L267 HydrophobicContact CG-CD2 4.39Å; V233-L267 HydrophobicContact CG1-CB 4.46Å; V233-L267 HydrophobicContact CG2-CB 3.82Å; V233-L267 HydrophobicContact CG2-CD1 3.63Å; V233-L267 HydrophobicContact CG2-CG 4.38Å; V246-L267 HydrophobicContact CG2-CD1 3.97Å; T262-L267 HydrophobicContact CG2-CD1 3.79Å; T262-L267 HydrophobicContact CG2-CD2 3.92Å; T262-L267 HydrophobicContact CG2-CG 3.76Å; D263-L267 WeakPolarHBondContact O-CG 3.38Å; D263-L267 PolarHBondContact O-N 3.26Å; V264-L267 PolarHBondContact O-N 3.19Å; S265-L267 VanDerWaalsContact C-N 3.28Å; S265-L267 PolarHBondContact O-N 3.42Å; L267-K270 PolarHBondContact O-N 3.43Å; L267-Y271 HydrophobicContact CB-CE2 4.1Å; L267-Y271 WeakPolarHBondContact O-CB 3.33Å; L267-Y271 WeakPolarHBondContact O-CD2 3.15Å; L267-Y271 PolarHBondContact O-N 3.38Å
268	L	95.7	Very high	93.7	Very high	30 Å²	30	78.1 Å²	78.1	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-62.5	-42.7	176.5	-77.2	171.9	0	0	0	111.8	V233 H237 V264 S265 Y271 R272	V233-L268 HydrophobicContact CG1-CD2 3.32Å; V233-L268 HydrophobicContact CG1-CG 3.6Å; H237-L268 HydrophobicContact CB-CD1 4.43Å; H237-L268 HydrophobicContact CB-CD2 4.1Å; V264-L268 HydrophobicContact CG1-CD1 3.85Å; V264-L268 HydrophobicContact CG1-CG 4.24Å; V264-L268 WeakPolarHBondContact O-CG 3.5Å; V264-L268 PolarHBondContact O-N 2.92Å; S265-L268 PolarHBondContact O-N 2.97Å; L268-Y271 PolarHBondContact O-N 3.09Å; L268-R272 WeakPolarHBondContact O-CB 3.32Å; L268-R272 VanDerWaalsContact O-CG 3.32Å; L268-R272 WeakPolarHBondContact O-CG 3.43Å; L268-R272 PolarHBondContact O-N 3.36Å
269	H	96.6	Very high	93.5	Very high	102 Å²	102	77.1 Å²	77.1	47%	0.472	41%	0.413	S	S	.	.	H	α-helix	trans	-62.1	-48.7	175.6	-77.5	-68.9	0	0	0	111.2	S265 Y271 R272 E273	S265-H269 PolarHBondContact O-CD2 3.33Å; S265-H269 PolarHBondContact O-N 3.22Å; H269-Y271 VanDerWaalsContact C-N 3.33Å; H269-Y271 PolarHBondContact O-N 3.34Å; H269-R272 PolarHBondContact O-N 2.97Å; H269-E273 WeakPolarHBondContact O-CG 3.41Å; H269-E273 PolarHBondContact O-N 2.82Å
270	K	96.2	Very high	93.2	Very high	138 Å²	138	78.8 Å²	78.8	60%	0.6	42%	0.42	S	S	*	.	H	α-helix	trans	-55.4	-44.7	175.4	-179.6	-178.9	177.6	-179.1	0	112.8	D266 L267 A274	D266-K270 WeakPolarHBondContact O-CB 3.42Å; D266-K270 PolarHBondContact O-N 2.91Å; L267-K270 PolarHBondContact O-N 3.43Å; K270-A274 PolarHBondContact O-N 2.84Å; K270-A274 VanDerWaalsContact O-N 3.16Å
271	Y	95.5	Very high	93	Very high	22 Å²	22	81.9 Å²	81.9	9%	0.086	44%	0.438	C	S	.	.	H	α-helix	trans	-71.7	-33.5	-179.7	-63.7	-37.5	0	0	0	113.1	D226 R229 R230 V233 L267 L268 H269 T275	D226-Y271 PolarHBondContact OD1-OH 2.95Å; R229-Y271 WeakPolarHBondContact CD-OH 3.2Å; R230-Y271 HydrophobicContact CG-CE1 4.38Å; R230-Y271 HydrophobicContact CG-CE2 4.06Å; V233-Y271 HydrophobicContact CB-CE2 4.26Å; V233-Y271 HydrophobicContact CG1-CD2 3.98Å; V233-Y271 HydrophobicContact CG1-CE2 3.98Å; V233-Y271 HydrophobicContact CG2-CE2 4.29Å; L267-Y271 HydrophobicContact CB-CE2 4.1Å; L267-Y271 WeakPolarHBondContact O-CB 3.33Å; L267-Y271 WeakPolarHBondContact O-CD2 3.15Å; L267-Y271 PolarHBondContact O-N 3.38Å; L268-Y271 PolarHBondContact O-N 3.09Å; H269-Y271 VanDerWaalsContact C-N 3.33Å; H269-Y271 PolarHBondContact O-N 3.34Å; Y271-T275 PolarHBondContact O-N 2.83Å; Y271-T275 PolarHBondContact O-OG1 3.42Å
272	R	94.1	Very high	92.7	Very high	141 Å²	141	82.9 Å²	82.9	53%	0.532	44%	0.435	S	S	.	.	H	α-helix	trans	-66.1	-45.2	174	-78.3	179.8	174.4	-170.3	-2	111.5	H237 L268 H269 A274 T275	H237-R272 PolarHBondContact CE1-NH2 3.34Å; H237-R272 VanDerWaalsContact CE1-NH2 3.26Å; L268-R272 WeakPolarHBondContact O-CB 3.32Å; L268-R272 VanDerWaalsContact O-CG 3.32Å; L268-R272 WeakPolarHBondContact O-CG 3.43Å; L268-R272 PolarHBondContact O-N 3.36Å; H269-R272 PolarHBondContact O-N 2.97Å; R272-A274 VanDerWaalsContact C-N 3.3Å; R272-A274 PolarHBondContact O-N 3.04Å; R272-T275 PolarHBondContact O-N 3.22Å
273	E	94.6	Very high	92.4	Very high	134 Å²	134	85.9 Å²	85.9	63%	0.626	45%	0.449	S	S	*	.	H	α-helix	trans	-62.3	-36.2	177.5	-71.9	171.3	-170.1	0	0	112.4	H269 T275 L276	H269-E273 WeakPolarHBondContact O-CG 3.41Å; H269-E273 PolarHBondContact O-N 2.82Å; E273-T275 PolarHBondContact O-N 3.37Å; E273-L276 PolarHBondContact O-N 2.97Å
274	A	91.9	Very high	92	Very high	82 Å²	82	89.2 Å²	89.2	68%	0.678	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.6	177.4	0	0	0	0	0	114.7	K270 R272	K270-A274 PolarHBondContact O-N 2.84Å; K270-A274 VanDerWaalsContact O-N 3.16Å; R272-A274 VanDerWaalsContact C-N 3.3Å; R272-A274 PolarHBondContact O-N 3.04Å
275	T	83.9	Confident	91.5	Very high	118 Å²	118	95.9 Å²	95.9	72%	0.724	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-14.5	178.7	-49.3	0	0	0	0	112.2	Y271 R272 E273	Y271-T275 PolarHBondContact O-N 2.83Å; Y271-T275 PolarHBondContact O-OG1 3.42Å; R272-T275 PolarHBondContact O-N 3.22Å; E273-T275 PolarHBondContact O-N 3.37Å
276	L	58.6	Low	91.1	Very high	207 Å²	207	99.4 Å²	99.4	100%	1.084	51%	0.509	S	S	*	.			trans	-86.1	0	175.3	-67	172.8	0	0	0	110.7	E273	E273-L276 PolarHBondContact O-N 2.97Å

Retrieved 276 of 276 residues in 203.2 ms (Link to these results)

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