A0A023IM45_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 , UniProt , Accession A0A023IM45, 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	47.3	Very low	45	Very low	194 Å²	194	120.9 Å²	120.9	96%	0.956	70%	0.7	S	S	*	*				0	-45.9	0	-70.6	-61.5	-155.3	0	0	112.4	L3 L4	M1-L3 PolarHBondContact O-N 2.94Å; M1-L4 PolarHBondContact O-N 2.74Å
2	A	40.6	Very low	45.3	Very low	86 Å²	86	116.7 Å²	116.7	71%	0.711	70%	0.702	S	S	*	*	H	α-helix	trans	-64.6	-30.1	-177.5	0	0	0	0	0	116.1
3	L	40.2	Very low	44.6	Very low	143 Å²	143	122.1 Å²	122.1	75%	0.749	72%	0.715	S	S	*	*	H	α-helix	trans	-73.9	-28.3	-177.7	-144.8	104.3	0	0	0	113.3	M1 L6 C7	M1-L3 PolarHBondContact O-N 2.94Å; L3-L6 PolarHBondContact O-N 3.48Å; L3-C7 PolarHBondContact O-SG 3.35Å; L3-C7 VanDerWaalsContact O-SG 3.42Å
4	L	41.6	Very low	44	Very low	112 Å²	112	131 Å²	131	59%	0.586	73%	0.731	S	S	*	*	H	α-helix	trans	-73.7	-30.7	-179.8	-93.1	131.1	0	0	0	112.3	M1 C7 A9	M1-L4 PolarHBondContact O-N 2.74Å; L4-C7 PolarHBondContact O-N 3.23Å; L4-A9 HydrophobicContact CD2-CB 4.28Å
5	D	44	Very low	43.5	Very low	94 Å²	94	127.4 Å²	127.4	50%	0.503	72%	0.715	S	S	.	*	H	α-helix	trans	-74.1	-27.2	176.1	-71.8	-20.8	0	0	0	112.1	C7 R11	D5-C7 VanDerWaalsContact C-N 3.31Å; D5-R11 IonicContact OD1-CZ 3.34Å; D5-R11 IonicContact OD1-NE 3.24Å; D5-R11 PolarHBondContact OD1-NE 3.43Å; D5-R11 IonicContact OD1-NH2 2.74Å; D5-R11 PolarHBondContact OD1-NH2 2.93Å; D5-R11 IonicContact OD2-CZ 3.91Å; D5-R11 IonicContact OD2-NH2 2.78Å; D5-R11 PolarHBondContact OD2-NH2 3.4Å
6	L	43.8	Very low	42.9	Very low	158 Å²	158	132.1 Å²	132.1	83%	0.827	73%	0.73	S	S	*	*	H	α-helix	trans	-71.9	-26.2	176.2	-148.5	90.3	0	0	0	112.5	L3	L3-L6 PolarHBondContact O-N 3.48Å
7	C	54.1	Low	42.9	Very low	97 Å²	97	135.1 Å²	135.1	66%	0.655	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	3.5	-174.1	-61.8	0	0	0	0	114.3	L3 L4 D5 A9	L3-C7 PolarHBondContact O-SG 3.35Å; L3-C7 VanDerWaalsContact O-SG 3.42Å; L4-C7 PolarHBondContact O-N 3.23Å; D5-C7 VanDerWaalsContact C-N 3.31Å; C7-A9 VanDerWaalsContact C-N 3.32Å; C7-A9 PolarHBondContact O-N 3.27Å
8	G	47.7	Very low	42.3	Very low	69 Å²	69	132.7 Å²	132.7	71%	0.711	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.9	23	173	0	0	0	0	0	116.1
9	A	44.7	Very low	42	Very low	51 Å²	51	129.9 Å²	129.9	42%	0.421	73%	0.726	S	S	.	*			trans	-73.9	133.1	179.7	0	0	0	0	0	111.7	L4 C7 R11	L4-A9 HydrophobicContact CD2-CB 4.28Å; C7-A9 VanDerWaalsContact C-N 3.32Å; C7-A9 PolarHBondContact O-N 3.27Å; A9-R11 PolarHBondContact O-N 2.95Å
10	P	42.6	Very low	41.6	Very low	130 Å²	130	130.4 Å²	130.4	84%	0.844	73%	0.732	S	S	*	*			trans	-66	126.8	-177.4	23.7	-30.9	0	0	0	111.7	G12	P10-G12 PolarHBondContact O-N 2.87Å
11	R	48.1	Very low	41	Very low	196 Å²	196	131.1 Å²	131.1	74%	0.74	73%	0.734	S	S	*	*	S	Bend	trans	-80.4	109.9	174.8	-74.1	-176.1	179.7	-167.3	-0.3	109.9	D5 A9	D5-R11 IonicContact OD1-CZ 3.34Å; D5-R11 IonicContact OD1-NE 3.24Å; D5-R11 PolarHBondContact OD1-NE 3.43Å; D5-R11 IonicContact OD1-NH2 2.74Å; D5-R11 PolarHBondContact OD1-NH2 2.93Å; D5-R11 IonicContact OD2-CZ 3.91Å; D5-R11 IonicContact OD2-NH2 2.78Å; D5-R11 PolarHBondContact OD2-NH2 3.4Å; A9-R11 PolarHBondContact O-N 2.95Å
12	G	49.2	Very low	40.5	Very low	70 Å²	70	127 Å²	127	72%	0.722	73%	0.731	S	S	*	*			trans	117.5	79.9	160.4	0	0	0	0	0	114.6	P10	P10-G12 PolarHBondContact O-N 2.87Å
13	Q	36.3	Very low	40	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	74%	0.739	S	S	*	*			trans	-159.8	118.2	145.7	-104.3	168.6	22.1	0	0	106.7	P15	Q13-P15 WeakPolarHBondContact O-CD 3.39Å
14	R	36.1	Very low	40	Very low	247 Å²	247	131.2 Å²	131.2	93%	0.932	75%	0.746	S	S	*	*			trans	-70.8	120.5	164.8	-99.6	-175.2	175.6	-177.9	-1.4	106.3
15	P	36.8	Very low	39.4	Very low	77 Å²	77	128.7 Å²	128.7	50%	0.5	75%	0.747	S	S	.	*			trans	-81.5	146.3	-179.9	1.9	15.9	0	0	0	110.6	Q13 W17	Q13-P15 WeakPolarHBondContact O-CD 3.39Å; P15-W17 PolarHBondContact O-N 3.07Å
16	E	32.6	Very low	38.9	Very low	203 Å²	203	133.3 Å²	133.3	95%	0.949	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	5.5	-172.6	-102.3	177.3	158.8	0	0	116.9	A18	E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.08Å
17	W	43.9	Very low	38.3	Very low	182 Å²	182	136.8 Å²	136.8	69%	0.689	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	5.4	179.7	60.6	-97.8	0	0	0	113.9	P15 A19	P15-W17 PolarHBondContact O-N 3.07Å; W17-A19 PolarHBondContact O-N 3.22Å
18	A	32.2	Very low	37.4	Very low	93 Å²	93	137.8 Å²	137.8	77%	0.769	78%	0.781	S	S	*	*	S	Bend	trans	-68.3	5.7	-179	0	0	0	0	0	114.9	E16	E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.08Å
19	A	35.8	Very low	37	Very low	79 Å²	79	140.8 Å²	140.8	65%	0.653	78%	0.781	S	S	*	*			trans	-131.3	95.2	173.9	0	0	0	0	0	109.5	W17	W17-A19 PolarHBondContact O-N 3.22Å
20	V	33.6	Very low	36.8	Very low	139 Å²	139	143 Å²	143	84%	0.842	79%	0.791	S	S	*	*			trans	-126.5	110.7	153	-169.5	0	0	0	0	106
21	D	30.7	Very low	36.8	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	76%	0.761	S	S	*	*			trans	-59.3	147	-173.8	-76.6	-51.5	0	0	0	113.3	E23	D21-E23 PolarHBondContact O-N 2.87Å; D21-E23 VanDerWaalsContact O-N 3.11Å
22	A	36.7	Very low	36.7	Very low	108 Å²	108	134.1 Å²	134.1	89%	0.893	75%	0.752	S	S	*	*			trans	-73.2	91.5	171.2	0	0	0	0	0	110.1
23	E	30.1	Very low	36.7	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	72%	0.724	S	S	*	*			trans	-92.2	116.4	164.7	-80	-164	159.6	0	0	111.5	D21 G25	D21-E23 PolarHBondContact O-N 2.87Å; D21-E23 VanDerWaalsContact O-N 3.11Å; E23-G25 PolarHBondContact O-N 3.02Å
24	S	39.4	Very low	37	Very low	128 Å²	128	125.3 Å²	125.3	90%	0.895	69%	0.694	S	S	*	*			trans	-65.2	103.7	172.6	53.3	0	0	0	0	111.7
25	G	28.5	Very low	37.3	Very low	59 Å²	59	119.5 Å²	119.5	61%	0.608	68%	0.676	S	S	*	*			trans	-123.9	121.8	162.6	0	0	0	0	0	109.7	E23 R27	E23-G25 PolarHBondContact O-N 3.02Å; G25-R27 VanDerWaalsContact C-N 3.25Å; G25-R27 PolarHBondContact O-N 3.36Å
26	L	33.3	Very low	37.4	Very low	192 Å²	192	122.1 Å²	122.1	100%	1.005	70%	0.697	S	S	*	*			trans	-60.6	90.8	165.8	-94.4	89.8	0	0	0	108.7
27	R	33	Very low	37.7	Very low	230 Å²	230	116.4 Å²	116.4	87%	0.868	68%	0.675	S	S	*	*			trans	-92.5	131	160.2	-71.5	-174.9	172	-166.1	-0.7	106.8	G25 D29	G25-R27 VanDerWaalsContact C-N 3.25Å; G25-R27 PolarHBondContact O-N 3.36Å; R27-D29 PolarHBondContact O-N 2.94Å
28	S	34.5	Very low	37.8	Very low	118 Å²	118	117.8 Å²	117.8	83%	0.825	69%	0.69	S	S	*	*			trans	-58.3	100.3	168.5	37.2	0	0	0	0	108.4	P30	S28-P30 WeakPolarHBondContact O-CD 3.17Å
29	D	39.2	Very low	38.5	Very low	133 Å²	133	115.5 Å²	115.5	71%	0.711	67%	0.671	S	S	*	*			trans	-65.6	112.2	-177.5	-176.8	13.5	0	0	0	110.4	R27 G31	R27-D29 PolarHBondContact O-N 2.94Å; D29-G31 PolarHBondContact O-N 3.17Å; D29-G31 VanDerWaalsContact OD1-CA 3.28Å; D29-G31 WeakPolarHBondContact OD1-CA 3.39Å; D29-G31 PolarHBondContact OD1-N 2.82Å
30	P	40.6	Very low	38.9	Very low	98 Å²	98	115.1 Å²	115.1	64%	0.636	66%	0.661	S	S	*	*			trans	-80.5	2	172.3	-4.6	25.1	0	0	0	112.1	S28 H32	S28-P30 WeakPolarHBondContact O-CD 3.17Å; P30-H32 PolarHBondContact O-N 2.6Å
31	G	42.3	Very low	39.8	Very low	19 Å²	19	115.9 Å²	115.9	20%	0.196	66%	0.656	C	S	.	*			trans	-73.6	34.3	-170	0	0	0	0	0	116.3	D29 Y33	D29-G31 PolarHBondContact O-N 3.17Å; D29-G31 VanDerWaalsContact OD1-CA 3.28Å; D29-G31 WeakPolarHBondContact OD1-CA 3.39Å; D29-G31 PolarHBondContact OD1-N 2.82Å; G31-Y33 PolarHBondContact O-N 2.75Å
32	H	46.9	Very low	40.9	Very low	119 Å²	119	114.2 Å²	114.2	55%	0.551	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-3.8	-173.1	-138.1	-47.4	0	0	0	114.9	P30	P30-H32 PolarHBondContact O-N 2.6Å
33	Y	48.5	Very low	41.6	Very low	35 Å²	35	114 Å²	114	14%	0.137	65%	0.645	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.8	4.1	-177	-53.6	-57.3	0	0	0	114.3	G31 E134 L154 M158	G31-Y33 PolarHBondContact O-N 2.75Å; Y33-E134 HydrophobicContact CD1-CG 3.99Å; Y33-E134 HydrophobicContact CE1-CG 4.17Å; Y33-L154 HydrophobicContact CE1-CD2 4.5Å; Y33-L154 WeakPolarHBondContact OH-CD2 3.3Å; Y33-M158 HydrophobicContact CD1-CE 3.41Å; Y33-M158 VanDerWaalsContact CD1-CE 3.41Å; Y33-M158 HydrophobicContact CD1-CG 4.12Å; Y33-M158 HydrophobicContact CD1-SD 4.49Å; Y33-M158 HydrophobicContact CD2-CG 3.9Å; Y33-M158 HydrophobicContact CE1-CE 3.24Å; Y33-M158 HydrophobicContact CE1-CG 3.99Å; Y33-M158 HydrophobicContact CE1-SD 4.45Å; Y33-M158 HydrophobicContact CE2-CG 3.75Å; Y33-M158 HydrophobicContact CG-CE 4.23Å; Y33-M158 HydrophobicContact CG-CG 4.07Å
34	S	43.1	Very low	42.6	Very low	37 Å²	37	108.5 Å²	108.5	26%	0.259	62%	0.621	S	S	.	*			trans	-76.5	125.8	-178.3	-179	0	0	0	0	112.7	S36 V37	S34-S36 VanDerWaalsContact C-N 3.27Å; S34-S36 PolarHBondContact O-N 2.82Å; S34-S36 VanDerWaalsContact O-N 3.09Å; S34-V37 WeakPolarHBondContact CB-O 3.5Å; S34-V37 VanDerWaalsContact OG-C 3.3Å; S34-V37 VanDerWaalsContact OG-CA 3.31Å; S34-V37 WeakPolarHBondContact OG-CA 3.44Å; S34-V37 WeakPolarHBondContact OG-CB 3.16Å; S34-V37 PolarHBondContact OG-N 3.17Å; S34-V37 PolarHBondContact OG-O 2.98Å
35	F	42	Very low	43.1	Very low	125 Å²	125	106.9 Å²	106.9	55%	0.548	61%	0.607	S	S	.	*	S	Bend	trans	-74.6	82.1	158.1	-82.3	-88.4	0	0	0	108.9	V37 L130 K133	F35-V37 VanDerWaalsContact O-CG2 3.31Å; F35-V37 WeakPolarHBondContact O-CG2 3.44Å; F35-V37 PolarHBondContact O-N 2.79Å; F35-L130 HydrophobicContact CD2-CD1 4.32Å; F35-L130 HydrophobicContact CE2-CD1 3.73Å; F35-K133 HydrophobicContact CE1-CD 3.8Å; F35-K133 VanDerWaalsContact CE1-NZ 3.29Å; F35-K133 HydrophobicContact CE2-CD 3.84Å; F35-K133 VanDerWaalsContact CE2-NZ 3.32Å; F35-K133 HydrophobicContact CZ-CD 3.3Å; F35-K133 VanDerWaalsContact CZ-NZ 3.27Å
36	S	39.7	Very low	44.1	Very low	133 Å²	133	115.9 Å²	115.9	93%	0.93	62%	0.623	S	S	*	*	S	Bend	trans	59.5	14.7	170.3	-51.8	0	0	0	0	116.5	S34	S34-S36 VanDerWaalsContact C-N 3.27Å; S34-S36 PolarHBondContact O-N 2.82Å; S34-S36 VanDerWaalsContact O-N 3.09Å
37	V	38.7	Very low	45.5	Very low	83 Å²	83	111 Å²	111	50%	0.503	62%	0.619	S	S	.	*			trans	-98.5	132.6	174.8	-164.3	0	0	0	0	109.7	S34 F35 A39	S34-V37 WeakPolarHBondContact CB-O 3.5Å; S34-V37 VanDerWaalsContact OG-C 3.3Å; S34-V37 VanDerWaalsContact OG-CA 3.31Å; S34-V37 WeakPolarHBondContact OG-CA 3.44Å; S34-V37 WeakPolarHBondContact OG-CB 3.16Å; S34-V37 PolarHBondContact OG-N 3.17Å; S34-V37 PolarHBondContact OG-O 2.98Å; F35-V37 VanDerWaalsContact O-CG2 3.31Å; F35-V37 WeakPolarHBondContact O-CG2 3.44Å; F35-V37 PolarHBondContact O-N 2.79Å; V37-A39 WeakPolarHBondContact CB-O 3.22Å; V37-A39 WeakPolarHBondContact CG1-O 3.39Å; V37-A39 PolarHBondContact O-N 3.34Å; V37-A39 VanDerWaalsContact O-N 3.1Å
38	Q	44.3	Very low	46.8	Very low	211 Å²	211	105 Å²	105	99%	0.986	60%	0.602	S	S	*	*	S	Bend	trans	-64.9	-10.6	179.2	-80.6	176.5	-37.4	0	0	114.3
39	A	46.9	Very low	48.4	Very low	45 Å²	45	104.7 Å²	104.7	37%	0.372	59%	0.588	S	S	.	*	S	Bend	trans	-144.4	145.7	173.7	0	0	0	0	0	109.9	V37 E41	V37-A39 WeakPolarHBondContact CB-O 3.22Å; V37-A39 WeakPolarHBondContact CG1-O 3.39Å; V37-A39 PolarHBondContact O-N 3.34Å; V37-A39 VanDerWaalsContact O-N 3.1Å; A39-E41 PolarHBondContact O-N 3.39Å
40	P	45.8	Very low	49.8	Very low	70 Å²	70	100 Å²	100	46%	0.455	57%	0.565	S	S	.	*			trans	-75.3	68.8	176.1	33.7	-35	0	0	0	110.1	Y162	P40-Y162 PolarHBondContact O-OH 2.84Å
41	E	50.8	Low	51.2	Low	155 Å²	155	96.8 Å²	96.8	72%	0.724	54%	0.543	S	S	*	.			trans	-99.6	123.1	171.3	-96.7	-178.4	157	0	0	109.3	A39 A43	A39-E41 PolarHBondContact O-N 3.39Å; E41-A43 PolarHBondContact O-N 2.92Å
42	L	54.4	Low	52.6	Low	112 Å²	112	101.5 Å²	101.5	59%	0.586	56%	0.56	S	S	*	*			trans	-53.7	132.4	152.3	-165.8	73.6	0	0	0	105.7	L44	L42-L44 HydrophobicContact CB-CD2 4.47Å; L42-L44 HydrophobicContact CB-CG 4.17Å; L42-L44 HydrophobicContact CD2-CD2 3.87Å; L42-L44 HydrophobicContact CD2-CG 4.47Å; L42-L44 HydrophobicContact CG-CD2 4.39Å; L42-L44 WeakPolarHBondContact O-CG 3.3Å; L42-L44 PolarHBondContact O-N 2.83Å
43	A	51.2	Low	53.8	Low	105 Å²	105	99.8 Å²	99.8	87%	0.868	55%	0.551	S	S	*	*			trans	-66.5	85.9	179	0	0	0	0	0	109.2	E41	E41-A43 PolarHBondContact O-N 2.92Å
44	L	51.1	Low	54.8	Low	72 Å²	72	100.3 Å²	100.3	38%	0.377	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-90.2	142.1	-176.4	-69.3	167.4	0	0	0	109.5	L42 R46 P50	L42-L44 HydrophobicContact CB-CD2 4.47Å; L42-L44 HydrophobicContact CB-CG 4.17Å; L42-L44 HydrophobicContact CD2-CD2 3.87Å; L42-L44 HydrophobicContact CD2-CG 4.47Å; L42-L44 HydrophobicContact CG-CD2 4.39Å; L42-L44 WeakPolarHBondContact O-CG 3.3Å; L42-L44 PolarHBondContact O-N 2.83Å; L44-R46 PolarHBondContact O-N 3.32Å; L44-P50 HydrophobicContact CD1-CG 3.32Å; L44-P50 HydrophobicContact CD2-CG 3.5Å; L44-P50 VanDerWaalsContact CD2-CG 3.5Å; L44-P50 HydrophobicContact CG-CG 4.02Å
45	P	50.3	Low	56	Low	94 Å²	94	106.1 Å²	106.1	61%	0.61	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-52.6	125.2	165.9	-21.2	31.6	0	0	0	109.4	G47 M48	P45-G47 PolarHBondContact O-N 2.91Å; P45-G47 VanDerWaalsContact O-N 3.15Å; P45-M48 PolarHBondContact O-N 2.87Å
46	R	50.3	Low	57.1	Low	248 Å²	248	101.8 Å²	101.8	94%	0.936	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	122.1	178.7	-69.3	-175.3	175.4	-170.5	-2.8	109.4	L44	L44-R46 PolarHBondContact O-N 3.32Å
47	G	61.7	Low	58.3	Low	89 Å²	89	98.1 Å²	98.1	92%	0.918	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	3.1	175.3	0	0	0	0	0	116.5	P45	P45-G47 PolarHBondContact O-N 2.91Å; P45-G47 VanDerWaalsContact O-N 3.15Å
48	M	61.1	Low	59.3	Low	103 Å²	103	95.8 Å²	95.8	51%	0.507	52%	0.517	S	S	.	.			trans	-123.4	111.5	174.5	-173.2	175.6	-77.5	0	0	110.5	P45 F53	P45-M48 PolarHBondContact O-N 2.87Å; M48-F53 HydrophobicContact CE-CD2 4.16Å; M48-F53 HydrophobicContact CG-CB 4Å; M48-F53 HydrophobicContact CG-CD2 4.33Å; M48-F53 HydrophobicContact SD-CB 4.08Å; M48-F53 HydrophobicContact SD-CD2 3.33Å; M48-F53 WeakPolarHBondContact SD-CD2 3.33Å; M48-F53 HydrophobicContact SD-CE2 3.99Å; M48-F53 HydrophobicContact SD-CG 3.94Å
49	Q	68	Low	59.9	Low	113 Å²	113	92 Å²	92	53%	0.528	50%	0.504	S	S	.	.			trans	-77	125.1	176.4	-154.8	175.9	27.4	0	0	109	T51 E52 F53	Q49-T51 VanDerWaalsContact C-N 3.26Å; Q49-T51 PolarHBondContact O-N 3.03Å; Q49-E52 HydrophobicContact CB-CB 4.16Å; Q49-E52 HydrophobicContact CB-CG 3.94Å; Q49-E52 PolarHBondContact O-N 2.81Å; Q49-E52 PolarHBondContact OE1-OE1 3.25Å; Q49-F53 PolarHBondContact O-N 3.12Å
50	P	67.6	Low	60	Low	35 Å²	35	93.6 Å²	93.6	23%	0.227	51%	0.506	C	S	.	.	H	α-helix	trans	-58.6	-38.4	-174.4	-27	35.3	0	0	0	113.1	L44 E52 F53 L54	L44-P50 HydrophobicContact CD1-CG 3.32Å; L44-P50 HydrophobicContact CD2-CG 3.5Å; L44-P50 VanDerWaalsContact CD2-CG 3.5Å; L44-P50 HydrophobicContact CG-CG 4.02Å; P50-E52 VanDerWaalsContact C-N 3.34Å; P50-E52 PolarHBondContact O-N 2.73Å; P50-F53 PolarHBondContact O-N 2.9Å; P50-L54 WeakPolarHBondContact O-CB 3.42Å; P50-L54 WeakPolarHBondContact O-CG 3.26Å; P50-L54 PolarHBondContact O-N 2.83Å
51	T	69.9	Low	60.3	Low	29 Å²	29	99.1 Å²	99.1	18%	0.178	53%	0.526	C	S	.	.	H	α-helix	trans	-63	-41.3	177	-47.2	0	0	0	0	111.5	Q49 R55 G164	Q49-T51 VanDerWaalsContact C-N 3.26Å; Q49-T51 PolarHBondContact O-N 3.03Å; T51-R55 VanDerWaalsContact O-CB 3.27Å; T51-R55 WeakPolarHBondContact O-CB 3.2Å; T51-R55 WeakPolarHBondContact O-CG 3.34Å; T51-R55 PolarHBondContact O-N 2.96Å; T51-G164 VanDerWaalsContact CG2-O 3.27Å; T51-G164 WeakPolarHBondContact CG2-O 3.41Å; T51-G164 PolarHBondContact OG1-O 2.97Å
52	E	72.2	Confident	60.5	Low	119 Å²	119	100.7 Å²	100.7	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-69.4	-41.9	176.5	-66	-179.2	156.1	0	0	111.4	Q49 P50 R55 S56	Q49-E52 HydrophobicContact CB-CB 4.16Å; Q49-E52 HydrophobicContact CB-CG 3.94Å; Q49-E52 PolarHBondContact O-N 2.81Å; Q49-E52 PolarHBondContact OE1-OE1 3.25Å; P50-E52 VanDerWaalsContact C-N 3.34Å; P50-E52 PolarHBondContact O-N 2.73Å; E52-R55 PolarHBondContact O-N 3.27Å; E52-S56 WeakPolarHBondContact O-CB 3.22Å; E52-S56 PolarHBondContact O-N 3.29Å
53	F	73.2	Confident	60.5	Low	82 Å²	82	101.2 Å²	101.2	36%	0.36	53%	0.528	S	S	.	.	H	α-helix	trans	-57	-55.4	174.4	175.6	-96.8	0	0	0	110.6	M48 Q49 P50 R55 S56 F57	M48-F53 HydrophobicContact CE-CD2 4.16Å; M48-F53 HydrophobicContact CG-CB 4Å; M48-F53 HydrophobicContact CG-CD2 4.33Å; M48-F53 HydrophobicContact SD-CB 4.08Å; M48-F53 HydrophobicContact SD-CD2 3.33Å; M48-F53 WeakPolarHBondContact SD-CD2 3.33Å; M48-F53 HydrophobicContact SD-CE2 3.99Å; M48-F53 HydrophobicContact SD-CG 3.94Å; Q49-F53 PolarHBondContact O-N 3.12Å; P50-F53 PolarHBondContact O-N 2.9Å; F53-R55 PolarHBondContact O-N 2.85Å; F53-S56 WeakPolarHBondContact O-CB 3.4Å; F53-S56 PolarHBondContact O-N 2.76Å; F53-S56 VanDerWaalsContact O-N 3.16Å; F53-S56 PolarHBondContact O-OG 2.9Å; F53-F57 HydrophobicContact CD1-CD2 4.45Å; F53-F57 HydrophobicContact CD2-CD2 4.36Å; F53-F57 AromaticContact CD2-CE2 3.78Å; F53-F57 HydrophobicContact CD2-CE2 3.78Å; F53-F57 HydrophobicContact CE1-CD2 4.22Å; F53-F57 HydrophobicContact CE1-CE2 4.23Å; F53-F57 HydrophobicContact CE2-CD2 4.16Å; F53-F57 AromaticContact CE2-CE2 3.39Å; F53-F57 HydrophobicContact CE2-CE2 3.39Å; F53-F57 HydrophobicContact CE2-CZ 4.24Å; F53-F57 HydrophobicContact CG-CE2 4.37Å; F53-F57 HydrophobicContact CZ-CD2 4.07Å; F53-F57 AromaticContact CZ-CE2 3.63Å; F53-F57 HydrophobicContact CZ-CE2 3.63Å; F53-F57 HydrophobicContact CZ-CZ 4.49Å; F53-F57 WeakPolarHBondContact O-CD2 2.97Å; F53-F57 PolarHBondContact O-N 3.01Å
54	L	69.1	Low	60.5	Low	47 Å²	47	106.8 Å²	106.8	25%	0.246	53%	0.532	C	S	.	.	H	α-helix	trans	-61.5	-43	179.9	-72.5	173.5	0	0	0	112.1	P50 S56 F57 G58 M69	P50-L54 WeakPolarHBondContact O-CB 3.42Å; P50-L54 WeakPolarHBondContact O-CG 3.26Å; P50-L54 PolarHBondContact O-N 2.83Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 3.18Å; L54-F57 CarbonylContact O-C 3.47Å; L54-F57 PolarHBondContact O-N 3.09Å; L54-G58 PolarHBondContact O-N 3.47Å; L54-M69 HydrophobicContact CD1-CE 3.9Å; L54-M69 HydrophobicContact CD2-CE 3.96Å; L54-M69 HydrophobicContact CG-CE 4.49Å
55	R	68.3	Low	60.6	Low	158 Å²	158	108.2 Å²	108.2	60%	0.596	54%	0.544	S	S	*	.	H	α-helix	trans	-58.6	-40.2	174.9	-80.6	178.4	-178	170.6	1.8	112.5	T51 E52 F53 F57 G58 D59	T51-R55 VanDerWaalsContact O-CB 3.27Å; T51-R55 WeakPolarHBondContact O-CB 3.2Å; T51-R55 WeakPolarHBondContact O-CG 3.34Å; T51-R55 PolarHBondContact O-N 2.96Å; E52-R55 PolarHBondContact O-N 3.27Å; F53-R55 PolarHBondContact O-N 2.85Å; R55-F57 PolarHBondContact O-N 2.93Å; R55-F57 VanDerWaalsContact O-N 3.07Å; R55-G58 PolarHBondContact O-N 3.35Å; R55-D59 PolarHBondContact O-N 3.16Å; R55-D59 VanDerWaalsContact O-N 3.14Å
56	S	65.1	Low	60.8	Low	34 Å²	34	107.7 Å²	107.7	24%	0.238	53%	0.533	C	S	.	.	H	α-helix	trans	-65.5	-10.3	178	82.9	0	0	0	0	114.5	E52 F53 L54 R63	E52-S56 WeakPolarHBondContact O-CB 3.22Å; E52-S56 PolarHBondContact O-N 3.29Å; F53-S56 WeakPolarHBondContact O-CB 3.4Å; F53-S56 PolarHBondContact O-N 2.76Å; F53-S56 VanDerWaalsContact O-N 3.16Å; F53-S56 PolarHBondContact O-OG 2.9Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 3.18Å; S56-R63 PolarHBondContact O-NH1 3.43Å; S56-R63 PolarHBondContact OG-NH1 3.46Å
57	F	65.3	Low	61.2	Low	56 Å²	56	99.7 Å²	99.7	25%	0.246	51%	0.508	C	S	.	.	H	α-helix	trans	-116.3	-1.6	171.7	-65.4	-77	0	0	0	112.9	F53 L54 R55 Q66 I67	F53-F57 HydrophobicContact CD1-CD2 4.45Å; F53-F57 HydrophobicContact CD2-CD2 4.36Å; F53-F57 AromaticContact CD2-CE2 3.78Å; F53-F57 HydrophobicContact CD2-CE2 3.78Å; F53-F57 HydrophobicContact CE1-CD2 4.22Å; F53-F57 HydrophobicContact CE1-CE2 4.23Å; F53-F57 HydrophobicContact CE2-CD2 4.16Å; F53-F57 AromaticContact CE2-CE2 3.39Å; F53-F57 HydrophobicContact CE2-CE2 3.39Å; F53-F57 HydrophobicContact CE2-CZ 4.24Å; F53-F57 HydrophobicContact CG-CE2 4.37Å; F53-F57 HydrophobicContact CZ-CD2 4.07Å; F53-F57 AromaticContact CZ-CE2 3.63Å; F53-F57 HydrophobicContact CZ-CE2 3.63Å; F53-F57 HydrophobicContact CZ-CZ 4.49Å; F53-F57 WeakPolarHBondContact O-CD2 2.97Å; F53-F57 PolarHBondContact O-N 3.01Å; L54-F57 CarbonylContact O-C 3.47Å; L54-F57 PolarHBondContact O-N 3.09Å; R55-F57 PolarHBondContact O-N 2.93Å; R55-F57 VanDerWaalsContact O-N 3.07Å; F57-Q66 CarbonylContact O-C 3.43Å; F57-Q66 WeakPolarHBondContact O-CA 3.45Å; F57-I67 HydrophobicContact CB-CB 4.13Å; F57-I67 HydrophobicContact CB-CD1 3.7Å; F57-I67 HydrophobicContact CB-CG1 3.81Å; F57-I67 HydrophobicContact CD1-CD1 4.44Å; F57-I67 HydrophobicContact CD2-CD1 4.27Å; F57-I67 HydrophobicContact CG-CD1 3.89Å; F57-I67 HydrophobicContact CG-CG1 4.36Å; F57-I67 PolarHBondContact O-N 3.45Å
58	G	58	Low	61.1	Low	34 Å²	34	102.8 Å²	102.8	35%	0.351	50%	0.498	S	S	.	.	H	α-helix	trans	-105.3	-41.6	-176	0	0	0	0	0	114.2	L54 R55	L54-G58 PolarHBondContact O-N 3.47Å; R55-G58 PolarHBondContact O-N 3.35Å
59	D	56.6	Low	61	Low	132 Å²	132	101.6 Å²	101.6	71%	0.706	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-18.3	-168.5	-80.5	-27.9	0	0	0	114.8	R55 Q61	R55-D59 PolarHBondContact O-N 3.16Å; R55-D59 VanDerWaalsContact O-N 3.14Å; D59-Q61 PolarHBondContact O-N 2.75Å
60	D	49.9	Very low	60.5	Low	79 Å²	79	98.6 Å²	98.6	42%	0.422	49%	0.487	S	S	.	.			trans	-82.4	113.1	-174.5	-78.8	-23.3	0	0	0	112	E62 Q66	D60-E62 PolarHBondContact O-N 3.1Å; D60-Q66 PolarHBondContact O-NE2 3.36Å; D60-Q66 VanDerWaalsContact O-NE2 3.07Å
61	Q	52.6	Low	60.3	Low	185 Å²	185	100.7 Å²	100.7	86%	0.864	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.9	172.7	-70.6	-176.2	-0.1	0	0	113.5	D59	D59-Q61 PolarHBondContact O-N 2.75Å
62	E	55	Low	60.4	Low	189 Å²	189	99.7 Å²	99.7	88%	0.883	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-19	-176.9	-69.4	-173.1	163.6	0	0	113.8	D60	D60-E62 PolarHBondContact O-N 3.1Å
63	R	54.1	Low	61.4	Low	123 Å²	123	94.5 Å²	94.5	46%	0.464	47%	0.465	S	S	.	.	S	Bend	trans	-97	128.2	179.3	-72.3	178.5	177	177.9	-0.5	110.8	S56 V65	S56-R63 PolarHBondContact O-NH1 3.43Å; S56-R63 PolarHBondContact OG-NH1 3.46Å; R63-V65 PolarHBondContact O-N 2.8Å
64	K	50.4	Low	62.5	Low	222 Å²	222	90.6 Å²	90.6	97%	0.965	45%	0.448	S	S	*	.	S	Bend	trans	-61.3	-12.1	179.6	-100.9	-177	178.3	178.9	0	115.6
65	V	53	Low	63.9	Low	101 Å²	101	88.3 Å²	88.3	61%	0.612	44%	0.436	S	S	*	.			trans	-124	98	-177.2	-174.9	0	0	0	0	108.4	R63	R63-V65 PolarHBondContact O-N 2.8Å
66	Q	56	Low	65.3	Low	84 Å²	84	80.8 Å²	80.8	39%	0.393	41%	0.408	S	S	.	.			trans	-93.4	127.5	170.6	-67.6	-176.3	-21.6	0	0	109.1	F57 D60 E68	F57-Q66 CarbonylContact O-C 3.43Å; F57-Q66 WeakPolarHBondContact O-CA 3.45Å; D60-Q66 PolarHBondContact O-NE2 3.36Å; D60-Q66 VanDerWaalsContact O-NE2 3.07Å; Q66-E68 VanDerWaalsContact C-N 3.32Å; Q66-E68 PolarHBondContact O-N 3.25Å
67	I	58.3	Low	66.9	Low	80 Å²	80	79.2 Å²	79.2	41%	0.41	40%	0.397	S	S	.	.			trans	-85.5	82.3	170.9	-59.2	172.8	0	0	0	106.7	F57 M69	F57-I67 HydrophobicContact CB-CB 4.13Å; F57-I67 HydrophobicContact CB-CD1 3.7Å; F57-I67 HydrophobicContact CB-CG1 3.81Å; F57-I67 HydrophobicContact CD1-CD1 4.44Å; F57-I67 HydrophobicContact CD2-CD1 4.27Å; F57-I67 HydrophobicContact CG-CD1 3.89Å; F57-I67 HydrophobicContact CG-CG1 4.36Å; F57-I67 PolarHBondContact O-N 3.45Å; I67-M69 PolarHBondContact O-N 3.49Å
68	E	58.9	Low	68.5	Low	153 Å²	153	76.5 Å²	76.5	72%	0.715	39%	0.385	S	S	*	.			trans	-73	117.9	164.6	-70.5	-172.7	164.3	0	0	108.3	Q66 A70	Q66-E68 VanDerWaalsContact C-N 3.32Å; Q66-E68 PolarHBondContact O-N 3.25Å; E68-A70 PolarHBondContact O-N 2.8Å
69	M	58.9	Low	70.4	Confident	79 Å²	79	76.8 Å²	76.8	39%	0.389	38%	0.376	S	S	.	.			trans	-70.6	82.1	169.6	-65.3	-167.9	-164.7	0	0	108.6	L54 I67 H71 G166	L54-M69 HydrophobicContact CD1-CE 3.9Å; L54-M69 HydrophobicContact CD2-CE 3.96Å; L54-M69 HydrophobicContact CG-CE 4.49Å; I67-M69 PolarHBondContact O-N 3.49Å; M69-H71 PolarHBondContact O-CE1 2.96Å; M69-H71 VanDerWaalsContact O-CE1 3.29Å; M69-H71 PolarHBondContact O-N 2.82Å; M69-H71 PolarHBondContact O-ND1 3.4Å; M69-G166 WeakPolarHBondContact CE-O 3.37Å
70	A	58.9	Low	72.4	Confident	49 Å²	49	71 Å²	71	41%	0.405	35%	0.345	S	S	.	.			trans	-71	117.8	175.2	0	0	0	0	0	109.2	E68 G72	E68-A70 PolarHBondContact O-N 2.8Å; A70-G72 PolarHBondContact O-N 2.89Å
71	H	63.2	Low	74.6	Confident	80 Å²	80	73.6 Å²	73.6	37%	0.37	36%	0.355	S	S	.	.			trans	-85.2	53.8	179.4	-62.8	69.3	0	0	0	110.5	M69 T73 S168 S202	M69-H71 PolarHBondContact O-CE1 2.96Å; M69-H71 VanDerWaalsContact O-CE1 3.29Å; M69-H71 PolarHBondContact O-N 2.82Å; M69-H71 PolarHBondContact O-ND1 3.4Å; H71-T73 PolarHBondContact O-N 2.82Å; H71-S168 PolarHBondContact CD2-OG 3.44Å; H71-S168 PolarHBondContact NE2-OG 2.82Å; H71-S202 VanDerWaalsContact O-CB 3.24Å; H71-S202 WeakPolarHBondContact O-CB 3.41Å; H71-S202 PolarHBondContact O-N 2.98Å; H71-S202 PolarHBondContact O-OG 3.14Å; H71-S202 VanDerWaalsContact O-OG 3.1Å
72	G	71.9	Confident	76.7	Confident	7 Å²	7	68.6 Å²	68.6	7%	0.072	33%	0.331	C	S	.	.			trans	-70	88	-173	0	0	0	0	0	113.1	A70 S202	A70-G72 PolarHBondContact O-N 2.89Å; G72-S202 WeakPolarHBondContact CA-OG 3.12Å
73	T	92	Very high	78.7	Confident	10 Å²	10	59.6 Å²	59.6	6%	0.061	29%	0.289	C	S	.	.			trans	-171.8	151.9	-172.9	-72.1	0	0	0	0	111.3	H71 T75 K105 G201 S202 G203	H71-T73 PolarHBondContact O-N 2.82Å; T73-T75 HydrophobicContact CG2-CG2 3.58Å; T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 2.87Å; T73-G201 CarbonylContact O-C 3.5Å; T73-G201 WeakPolarHBondContact O-CA 3.16Å; T73-S202 PolarHBondContact N-OG 2.82Å; T73-S202 PolarHBondContact O-N 3.1Å; T73-S202 PolarHBondContact O-OG 3.47Å; T73-G203 PolarHBondContact O-N 3.36Å
74	T	97.3	Very high	80.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.			trans	-126	120.5	161.3	-54.7	0	0	0	0	109.7	D89 G203 A207 I232 A235 S242	T74-D89 PolarHBondContact N-OD1 3.31Å; T74-D89 PolarHBondContact O-N 3.4Å; T74-G203 VanDerWaalsContact OG1-CA 3.24Å; T74-G203 WeakPolarHBondContact OG1-CA 3.38Å; T74-A207 HydrophobicContact CG2-CB 3.89Å; T74-I232 HydrophobicContact CG2-CD1 3.73Å; T74-A235 HydrophobicContact CG2-CB 3.78Å; T74-S242 PolarHBondContact N-OG 2.95Å; T74-S242 VanDerWaalsContact N-OG 3.15Å; T74-S242 WeakPolarHBondContact OG1-CB 3.37Å; T74-S242 PolarHBondContact OG1-OG 2.9Å
75	T	98	Very high	83.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.6	167	74.2	0	0	0	0	109.9	T73 V88 M172 S199 T200	T73-T75 HydrophobicContact CG2-CG2 3.58Å; T75-V88 HydrophobicContact CG2-CB 4.01Å; T75-V88 HydrophobicContact CG2-CG1 3.54Å; T75-M172 WeakPolarHBondContact OG1-CE 3.32Å; T75-S199 CarbonylContact O-C 3.58Å; T75-S199 WeakPolarHBondContact O-CA 3.37Å; T75-S199 WeakPolarHBondContact O-CB 3.31Å; T75-S199 PolarHBondContact O-OG 3.42Å; T75-T200 PolarHBondContact N-O 3.4Å; T75-T200 PolarHBondContact O-N 3.47Å; T75-T200 PolarHBondContact OG1-OG1 2.95Å
76	L	98.3	Very high	85.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.7	171.8	66	86.2	0	0	0	110.8	F78 A87 F198 A207 M211 A228 A231 I232	L76-F78 HydrophobicContact CD1-CD1 4.04Å; L76-F78 HydrophobicContact CD1-CE1 4.12Å; L76-A87 HydrophobicContact CD1-CB 3.92Å; L76-A87 HydrophobicContact CG-CB 4.16Å; L76-A87 PolarHBondContact N-O 2.88Å; L76-A87 PolarHBondContact O-N 3.45Å; L76-F198 CarbonylContact C-O 3.44Å; L76-F198 WeakPolarHBondContact CA-O 3.25Å; L76-A207 HydrophobicContact CD2-CB 4.08Å; L76-M211 HydrophobicContact CB-CE 4.43Å; L76-M211 HydrophobicContact CB-SD 4.21Å; L76-M211 HydrophobicContact CD1-SD 4.08Å; L76-M211 HydrophobicContact CD2-SD 4.48Å; L76-M211 HydrophobicContact CG-SD 4.5Å; L76-A228 HydrophobicContact CD1-CB 4.18Å; L76-A231 HydrophobicContact CD2-CB 3.51Å; L76-I232 HydrophobicContact CD2-CD1 3.58Å; L76-I232 HydrophobicContact CD2-CG1 3.8Å; L76-I232 HydrophobicContact CG-CD1 3.87Å; L76-I232 HydrophobicContact CG-CG1 4.24Å
77	A	98.6	Very high	87.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	140.7	170	0	0	0	0	0	110.4	I85 V86 M172 L183 M197 F198	A77-I85 CarbonylContact C-O 3.58Å; A77-I85 WeakPolarHBondContact CA-O 3.39Å; A77-I85 WeakPolarHBondContact CB-O 3.24Å; A77-V86 HydrophobicContact CB-CG2 4.05Å; A77-M172 HydrophobicContact CB-CE 4.18Å; A77-M172 HydrophobicContact CB-SD 3.89Å; A77-L183 HydrophobicContact CB-CD1 3.72Å; A77-L183 HydrophobicContact CB-CD2 4.08Å; A77-M197 CarbonylContact O-C 3.59Å; A77-M197 VanDerWaalsContact O-CA 3.29Å; A77-M197 WeakPolarHBondContact O-CA 3.42Å; A77-F198 PolarHBondContact N-O 3.12Å; A77-F198 PolarHBondContact O-N 3.05Å
78	F	98.6	Very high	89.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.4	173.2	62.8	-93.7	0	0	0	112.2	L76 V84 I85 Q196 M197 M211 Y215 A224 L227 A228	L76-F78 HydrophobicContact CD1-CD1 4.04Å; L76-F78 HydrophobicContact CD1-CE1 4.12Å; F78-V84 WeakPolarHBondContact O-CA 3.36Å; F78-V84 VanDerWaalsContact O-CG1 3.31Å; F78-V84 WeakPolarHBondContact O-CG1 3.27Å; F78-I85 HydrophobicContact CE1-CB 4.07Å; F78-I85 HydrophobicContact CE1-CG2 4.27Å; F78-I85 HydrophobicContact CE2-CB 4.16Å; F78-I85 HydrophobicContact CE2-CG1 4Å; F78-I85 HydrophobicContact CZ-CB 3.88Å; F78-I85 HydrophobicContact CZ-CG1 3.95Å; F78-I85 HydrophobicContact CZ-CG2 4.3Å; F78-I85 PolarHBondContact N-O 3.07Å; F78-I85 PolarHBondContact O-N 3.5Å; F78-Q196 CarbonylContact C-O 3.59Å; F78-Q196 VanDerWaalsContact CA-O 3.27Å; F78-Q196 WeakPolarHBondContact CA-O 3.31Å; F78-M197 HydrophobicContact CB-CB 3.89Å; F78-M197 HydrophobicContact CB-CG 3.87Å; F78-M197 HydrophobicContact CB-SD 4.35Å; F78-M211 HydrophobicContact CB-SD 4.39Å; F78-M211 HydrophobicContact CD1-CG 4.21Å; F78-M211 HydrophobicContact CD1-SD 3.69Å; F78-M211 HydrophobicContact CE1-SD 4.44Å; F78-M211 HydrophobicContact CG-SD 4.43Å; F78-Y215 HydrophobicContact CB-CE2 4.26Å; F78-Y215 AromaticContact CD2-CD2 3.92Å; F78-Y215 HydrophobicContact CD2-CD2 3.92Å; F78-Y215 AromaticContact CD2-CE2 3.76Å; F78-Y215 HydrophobicContact CD2-CE2 3.76Å; F78-Y215 HydrophobicContact CE2-CD2 4.44Å; F78-Y215 HydrophobicContact CG-CD2 4.31Å; F78-Y215 HydrophobicContact CG-CE2 4.3Å; F78-A224 HydrophobicContact CE2-CB 4.1Å; F78-A224 HydrophobicContact CZ-CB 4.21Å; F78-L227 HydrophobicContact CZ-CD2 4.3Å; F78-A228 HydrophobicContact CE1-CB 3.81Å; F78-A228 HydrophobicContact CZ-CB 4.19Å
79	K	98.3	Very high	91.1	Very high	39 Å²	39	23.3 Å²	23.3	17%	0.17	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.7	175.3	-64.9	-178.3	44.3	169.5	0	109.7	G83 V84 P181 L183 Q196 Y215	K79-G83 CarbonylContact C-O 3.47Å; K79-G83 WeakPolarHBondContact CA-O 3.42Å; K79-V84 HydrophobicContact CG-CG1 4.27Å; K79-V84 HydrophobicContact CG-CG2 4Å; K79-P181 VanDerWaalsContact CE-O 3.24Å; K79-P181 WeakPolarHBondContact CE-O 3.28Å; K79-P181 PolarHBondContact NZ-O 3.21Å; K79-L183 HydrophobicContact CD-CB 3.95Å; K79-L183 HydrophobicContact CG-CB 3.94Å; K79-L183 HydrophobicContact CG-CD2 4.29Å; K79-Q196 VanDerWaalsContact CE-OE1 3.28Å; K79-Q196 PolarHBondContact N-O 2.93Å; K79-Y215 VanDerWaalsContact O-CE2 3.25Å; K79-Y215 WeakPolarHBondContact O-CE2 3.38Å; K79-Y215 PolarHBondContact O-OH 2.88Å
80	F	97.7	Very high	92.9	Very high	12 Å²	12	19.5 Å²	19.5	5%	0.053	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	179.9	172.9	73.6	-64	0	0	0	109.4	H82 G83 I85 L219 A224 H250	F80-H82 HydrophobicContact CD2-CB 4.23Å; F80-H82 HydrophobicContact CE1-CB 4.49Å; F80-H82 HydrophobicContact CE2-CB 3.54Å; F80-H82 AromaticContact CE2-CD2 3.72Å; F80-H82 HydrophobicContact CZ-CB 3.69Å; F80-H82 PolarHBondContact O-N 2.86Å; F80-H82 VanDerWaalsContact O-N 3.08Å; F80-G83 WeakPolarHBondContact CD1-O 3.16Å; F80-G83 PolarHBondContact N-O 3.46Å; F80-G83 PolarHBondContact O-N 3.49Å; F80-G83 VanDerWaalsContact O-O 3.08Å; F80-I85 HydrophobicContact CD1-CG1 4.11Å; F80-I85 HydrophobicContact CE1-CD1 3.65Å; F80-I85 HydrophobicContact CE1-CG1 3.62Å; F80-I85 HydrophobicContact CZ-CD1 3.97Å; F80-I85 HydrophobicContact CZ-CG1 4.21Å; F80-L219 HydrophobicContact CD2-CB 4.35Å; F80-L219 WeakPolarHBondContact CD2-O 3.35Å; F80-A224 HydrophobicContact CD2-CB 4.07Å; F80-A224 HydrophobicContact CE1-CB 4.47Å; F80-A224 HydrophobicContact CE2-CB 3.82Å; F80-A224 HydrophobicContact CG-CB 4.47Å; F80-A224 HydrophobicContact CZ-CB 4.05Å; F80-H250 AromaticContact CE1-NE2 3.78Å; F80-H250 AromaticContact CZ-CE1 3.88Å; F80-H250 AromaticContact CZ-NE2 3.61Å
81	Q	96.4	Very high	94.6	Very high	133 Å²	133	19.9 Å²	19.9	62%	0.621	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.5	-174.2	-171.9	176	24.2	0	0	113.9	Q217	Q81-Q217 WeakPolarHBondContact CB-O 3.44Å; Q81-Q217 PolarHBondContact N-O 3.33Å
82	H	96.9	Very high	96.1	Very high	80 Å²	80	17.4 Å²	17.4	37%	0.37	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.3	-176.2	-53.7	-71.6	0	0	0	114.5	F80 L219 P221 H250	F80-H82 HydrophobicContact CD2-CB 4.23Å; F80-H82 HydrophobicContact CE1-CB 4.49Å; F80-H82 HydrophobicContact CE2-CB 3.54Å; F80-H82 AromaticContact CE2-CD2 3.72Å; F80-H82 HydrophobicContact CZ-CB 3.69Å; F80-H82 PolarHBondContact O-N 2.86Å; F80-H82 VanDerWaalsContact O-N 3.08Å; H82-L219 PolarHBondContact CD2-O 3.25Å; H82-P221 HydrophobicContact CB-CG 4.38Å; H82-H250 PolarHBondContact O-NE2 2.92Å
83	G	96.9	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.2	-132	174.5	0	0	0	0	0	114	K79 F80 W176 M251	K79-G83 CarbonylContact C-O 3.47Å; K79-G83 WeakPolarHBondContact CA-O 3.42Å; F80-G83 WeakPolarHBondContact CD1-O 3.16Å; F80-G83 PolarHBondContact N-O 3.46Å; F80-G83 PolarHBondContact O-N 3.49Å; F80-G83 VanDerWaalsContact O-O 3.08Å; G83-W176 VanDerWaalsContact CA-CZ3 3.43Å; G83-M251 WeakPolarHBondContact CA-O 3.28Å
84	V	98.4	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.9	179.4	-162.9	0	0	0	0	109.6	F78 K79 C174 P181 L183 M251	F78-V84 WeakPolarHBondContact O-CA 3.36Å; F78-V84 VanDerWaalsContact O-CG1 3.31Å; F78-V84 WeakPolarHBondContact O-CG1 3.27Å; K79-V84 HydrophobicContact CG-CG1 4.27Å; K79-V84 HydrophobicContact CG-CG2 4Å; V84-C174 VanDerWaalsContact CB-SG 3.52Å; V84-C174 VanDerWaalsContact CG1-SG 3.56Å; V84-P181 HydrophobicContact CG2-CB 3.58Å; V84-L183 HydrophobicContact CG1-CD2 4.46Å; V84-M251 HydrophobicContact CB-CB 3.99Å; V84-M251 HydrophobicContact CG2-CB 4.38Å; V84-M251 PolarHBondContact N-O 3.11Å; V84-M251 VanDerWaalsContact N-O 3.12Å; V84-M251 PolarHBondContact O-N 3.16Å
85	I	98.6	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.1	168.8	-58.3	-54.1	0	0	0	108.5	A77 F78 F80 A224 Y225 A228 M248 H250	A77-I85 CarbonylContact C-O 3.58Å; A77-I85 WeakPolarHBondContact CA-O 3.39Å; A77-I85 WeakPolarHBondContact CB-O 3.24Å; F78-I85 HydrophobicContact CE1-CB 4.07Å; F78-I85 HydrophobicContact CE1-CG2 4.27Å; F78-I85 HydrophobicContact CE2-CB 4.16Å; F78-I85 HydrophobicContact CE2-CG1 4Å; F78-I85 HydrophobicContact CZ-CB 3.88Å; F78-I85 HydrophobicContact CZ-CG1 3.95Å; F78-I85 HydrophobicContact CZ-CG2 4.3Å; F78-I85 PolarHBondContact N-O 3.07Å; F78-I85 PolarHBondContact O-N 3.5Å; F80-I85 HydrophobicContact CD1-CG1 4.11Å; F80-I85 HydrophobicContact CE1-CD1 3.65Å; F80-I85 HydrophobicContact CE1-CG1 3.62Å; F80-I85 HydrophobicContact CZ-CD1 3.97Å; F80-I85 HydrophobicContact CZ-CG1 4.21Å; I85-A224 HydrophobicContact CG1-CB 3.99Å; I85-Y225 HydrophobicContact CD1-CD1 3.73Å; I85-Y225 HydrophobicContact CD1-CE1 3.57Å; I85-A228 HydrophobicContact CG2-CB 3.53Å; I85-M248 HydrophobicContact CG2-CG 4Å; I85-M248 HydrophobicContact CG2-SD 3.81Å; I85-H250 HydrophobicContact CD1-CB 3.95Å
86	V	98.6	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.7	170.4	-179.4	0	0	0	0	107.1	A77 V88 V106 L114 T116 C174 M248 Y249	A77-V86 HydrophobicContact CB-CG2 4.05Å; V86-V88 HydrophobicContact CG1-CG1 4.48Å; V86-V106 HydrophobicContact CG1-CG2 4.09Å; V86-L114 HydrophobicContact CG2-CD1 4.49Å; V86-T116 HydrophobicContact CG1-CG2 3.51Å; V86-C174 HydrophobicContact CG2-CB 3.89Å; V86-M248 CarbonylContact O-C 3.52Å; V86-M248 WeakPolarHBondContact O-CA 3.33Å; V86-Y249 PolarHBondContact N-O 2.7Å; V86-Y249 PolarHBondContact O-N 3.34Å
87	A	98.4	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.3	177.5	0	0	0	0	0	110.3	L76 A228 I232 N247 M248	L76-A87 HydrophobicContact CD1-CB 3.92Å; L76-A87 HydrophobicContact CG-CB 4.16Å; L76-A87 PolarHBondContact N-O 2.88Å; L76-A87 PolarHBondContact O-N 3.45Å; A87-A228 HydrophobicContact CB-CB 4.04Å; A87-I232 HydrophobicContact CB-CD1 4.5Å; A87-I232 HydrophobicContact CB-CG1 3.8Å; A87-N247 WeakPolarHBondContact CA-O 3.48Å; A87-M248 HydrophobicContact CB-CB 4.47Å; A87-M248 HydrophobicContact CB-CG 4.34Å
88	V	98.4	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.5	-177.3	-54.3	0	0	0	0	110.5	T75 V86 K105 V106 T116 N247	T75-V88 HydrophobicContact CG2-CB 4.01Å; T75-V88 HydrophobicContact CG2-CG1 3.54Å; V86-V88 HydrophobicContact CG1-CG1 4.48Å; V88-K105 HydrophobicContact CB-CB 4.04Å; V88-K105 HydrophobicContact CG1-CB 4.44Å; V88-K105 HydrophobicContact CG2-CB 3.86Å; V88-V106 HydrophobicContact CB-CG2 4.37Å; V88-V106 HydrophobicContact CG1-CG2 3.72Å; V88-V106 HydrophobicContact CG2-CG2 3.63Å; V88-T116 HydrophobicContact CG1-CG2 4.36Å; V88-N247 HydrophobicContact CG2-CB 3.86Å; V88-N247 PolarHBondContact N-O 3.49Å; V88-N247 PolarHBondContact O-N 2.81Å
89	D	97.8	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.			trans	-76.2	179.5	163.5	88.5	-59.2	0	0	0	110.8	T74 R91 K105 I232 T236 S242 G243 V245	T74-D89 PolarHBondContact N-OD1 3.31Å; T74-D89 PolarHBondContact O-N 3.4Å; D89-R91 PolarHBondContact OD2-N 3.01Å; D89-K105 WeakPolarHBondContact O-CD 3.38Å; D89-K105 IonicContact OD1-NZ 2.72Å; D89-K105 PolarHBondContact OD1-NZ 2.71Å; D89-K105 IonicContact OD2-NZ 3.1Å; D89-K105 PolarHBondContact OD2-NZ 3.01Å; D89-K105 VanDerWaalsContact OD2-NZ 3.1Å; D89-I232 HydrophobicContact CB-CG2 4.14Å; D89-T236 HydrophobicContact CB-CG2 3.89Å; D89-S242 VanDerWaalsContact OD2-CA 3.31Å; D89-S242 WeakPolarHBondContact OD2-CA 3.29Å; D89-G243 PolarHBondContact OD2-N 3Å; D89-V245 CarbonylContact C-O 3.56Å
90	S	97.1	Very high	94.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.26	C	S	.	.			trans	-129.9	-0.2	-176.1	72.4	0	0	0	0	115.2	I101 V103 G243 V245	S90-I101 CarbonylContact C-O 3.6Å; S90-I101 WeakPolarHBondContact CB-O 3.45Å; S90-I101 CarbonylContact O-C 3.53Å; S90-I101 PolarHBondContact OG-O 2.92Å; S90-V103 WeakPolarHBondContact CA-O 3.45Å; S90-V103 WeakPolarHBondContact CB-O 3.49Å; S90-V103 WeakPolarHBondContact O-CB 3.36Å; S90-V103 PolarHBondContact O-N 3.2Å; S90-G243 PolarHBondContact N-O 2.9Å; S90-V245 PolarHBondContact N-O 3.23Å; S90-V245 WeakPolarHBondContact OG-CG2 3.24Å; S90-V245 PolarHBondContact OG-N 3.3Å; S90-V245 PolarHBondContact OG-O 3.21Å
91	R	95.6	Very high	94.2	Very high	57 Å²	57	48.2 Å²	48.2	22%	0.215	28%	0.28	C	S	.	.			trans	-72.5	136.3	-178.8	178.5	174.5	-70.6	169.1	4.4	110.8	D89 I98 K105 S240 Y241 S242 G243	D89-R91 PolarHBondContact OD2-N 3.01Å; R91-I98 HydrophobicContact CG-CG2 4.12Å; R91-K105 WeakPolarHBondContact O-CE 3.37Å; R91-K105 PolarHBondContact O-NZ 2.93Å; R91-S240 PolarHBondContact NH1-O 2.88Å; R91-Y241 WeakPolarHBondContact CD-O 3.12Å; R91-S242 PolarHBondContact NH1-O 3.1Å; R91-G243 PolarHBondContact N-O 3.04Å
92	A	93.3	Very high	94.2	Very high	28 Å²	28	50.3 Å²	50.3	23%	0.231	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.7	164.6	0	0	0	0	0	110.1	A99 T100 V103	A92-A99 PolarHBondContact O-N 3.14Å; A92-T100 HydrophobicContact CB-CG2 4.2Å; A92-T100 PolarHBondContact N-O 3.14Å; A92-T100 PolarHBondContact O-N 2.79Å; A92-T100 VanDerWaalsContact O-N 3.15Å; A92-V103 HydrophobicContact CB-CG2 3.57Å
93	S	88.3	Confident	94.1	Very high	34 Å²	34	47.9 Å²	47.9	24%	0.238	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.6	-176.3	52.1	0	0	0	0	111.5	Y97	S93-Y97 CarbonylContact C-O 3.47Å; S93-Y97 VanDerWaalsContact CA-O 3.3Å; S93-Y97 WeakPolarHBondContact CA-O 3.24Å
94	A	87.1	Confident	93.9	Very high	65 Å²	65	51.3 Å²	51.3	54%	0.537	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	91.2	168.1	0	0	0	0	0	107.6	Y97 A99	A94-Y97 PolarHBondContact N-O 3.33Å; A94-Y97 PolarHBondContact O-N 3.42Å; A94-A99 HydrophobicContact CB-CB 4.44Å
95	G	85.3	Confident	93.8	Very high	45 Å²	45	51.5 Å²	51.5	46%	0.464	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-132.3	-164.5	0	0	0	0	0	110.9	Y97 Y241	G95-Y97 VanDerWaalsContact C-N 3.3Å; G95-Y97 PolarHBondContact O-N 3Å; G95-Y241 WeakPolarHBondContact O-CE1 3.44Å
96	S	86.7	Confident	93.7	Very high	121 Å²	121	51.6 Å²	51.6	85%	0.846	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.5	176.5	56.5	0	0	0	0	114.1
97	Y	89.8	Confident	93.6	Very high	166 Å²	166	53 Å²	53	65%	0.651	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.1	-179.5	179.4	-103.6	0	0	0	111.1	S93 A94 G95 A99	S93-Y97 CarbonylContact C-O 3.47Å; S93-Y97 VanDerWaalsContact CA-O 3.3Å; S93-Y97 WeakPolarHBondContact CA-O 3.24Å; A94-Y97 PolarHBondContact N-O 3.33Å; A94-Y97 PolarHBondContact O-N 3.42Å; G95-Y97 VanDerWaalsContact C-N 3.3Å; G95-Y97 PolarHBondContact O-N 3Å; Y97-A99 PolarHBondContact O-N 2.86Å
98	I	93.5	Very high	93.6	Very high	69 Å²	69	57.3 Å²	57.3	35%	0.354	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	104	173.6	-60.6	171.7	0	0	0	108.2	R91 I101	R91-I98 HydrophobicContact CG-CG2 4.12Å; I98-I101 HydrophobicContact CG2-CG1 3.99Å
99	A	92.5	Very high	93.5	Very high	58 Å²	58	58 Å²	58	48%	0.479	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-42.3	-179.8	0	0	0	0	0	111.7	A92 A94 Y97	A92-A99 PolarHBondContact O-N 3.14Å; A94-A99 HydrophobicContact CB-CB 4.44Å; Y97-A99 PolarHBondContact O-N 2.86Å
100	T	94.6	Very high	93.3	Very high	65 Å²	65	60.1 Å²	60.1	40%	0.399	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	151	168.9	-161	0	0	0	0	111.7	A92 V103	A92-T100 HydrophobicContact CB-CG2 4.2Å; A92-T100 PolarHBondContact N-O 3.14Å; A92-T100 PolarHBondContact O-N 2.79Å; A92-T100 VanDerWaalsContact O-N 3.15Å; T100-V103 HydrophobicContact CG2-CB 4.43Å; T100-V103 HydrophobicContact CG2-CG2 3.11Å
101	I	94.8	Very high	93.3	Very high	92 Å²	92	64.1 Å²	64.1	47%	0.472	36%	0.361	S	S	.	.	S	Bend	trans	-88.3	-26.7	-177.7	-60.3	171.4	0	0	0	110.9	S90 I98	S90-I101 CarbonylContact C-O 3.6Å; S90-I101 WeakPolarHBondContact CB-O 3.45Å; S90-I101 CarbonylContact O-C 3.53Å; S90-I101 PolarHBondContact OG-O 2.92Å; I98-I101 HydrophobicContact CG2-CG1 3.99Å
102	R	95.1	Very high	93.3	Very high	176 Å²	176	65.2 Å²	65.2	66%	0.664	37%	0.365	S	S	*	.			trans	-125.8	73.3	-169.1	-65.1	-175	177.9	-169.2	-1.6	112.6	V245	R102-V245 HydrophobicContact CG-CG1 4.34Å
103	V	94.8	Very high	93.5	Very high	29 Å²	29	64 Å²	64	18%	0.176	36%	0.355	C	S	.	.			trans	-90.7	136.9	165.1	-176.7	0	0	0	0	110.1	S90 A92 T100 K105 M117	S90-V103 WeakPolarHBondContact CA-O 3.45Å; S90-V103 WeakPolarHBondContact CB-O 3.49Å; S90-V103 WeakPolarHBondContact O-CB 3.36Å; S90-V103 PolarHBondContact O-N 3.2Å; A92-V103 HydrophobicContact CB-CG2 3.57Å; T100-V103 HydrophobicContact CG2-CB 4.43Å; T100-V103 HydrophobicContact CG2-CG2 3.11Å; V103-K105 HydrophobicContact CB-CG 4.39Å; V103-K105 HydrophobicContact CG1-CG 4.16Å; V103-K105 PolarHBondContact O-N 3.37Å; V103-M117 HydrophobicContact CG1-CE 3.44Å; V103-M117 VanDerWaalsContact CG1-CE 3.44Å
104	N	92.3	Very high	94	Very high	72 Å²	72	62.5 Å²	62.5	39%	0.385	34%	0.344	S	S	.	.			trans	-79.7	108.3	165.6	-172	13.8	0	0	0	109.7	V106	N104-V106 PolarHBondContact ND2-O 3.44Å; N104-V106 VanDerWaalsContact ND2-O 3.15Å; N104-V106 PolarHBondContact OD1-N 3.43Å; N104-V106 PolarHBondContact OD1-O 3.39Å
105	K	96.6	Very high	94.5	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.017	32%	0.319	C	S	.	.			trans	-94.8	7.7	179	-56.4	-173.7	-169.4	175	0	113.9	T73 V88 D89 R91 V103 T116 M117	T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 2.87Å; V88-K105 HydrophobicContact CB-CB 4.04Å; V88-K105 HydrophobicContact CG1-CB 4.44Å; V88-K105 HydrophobicContact CG2-CB 3.86Å; D89-K105 WeakPolarHBondContact O-CD 3.38Å; D89-K105 IonicContact OD1-NZ 2.72Å; D89-K105 PolarHBondContact OD1-NZ 2.71Å; D89-K105 IonicContact OD2-NZ 3.1Å; D89-K105 PolarHBondContact OD2-NZ 3.01Å; D89-K105 VanDerWaalsContact OD2-NZ 3.1Å; R91-K105 WeakPolarHBondContact O-CE 3.37Å; R91-K105 PolarHBondContact O-NZ 2.93Å; V103-K105 HydrophobicContact CB-CG 4.39Å; V103-K105 HydrophobicContact CG1-CG 4.16Å; V103-K105 PolarHBondContact O-N 3.37Å; K105-T116 CarbonylContact O-C 3.59Å; K105-T116 WeakPolarHBondContact O-CA 3.18Å; K105-M117 HydrophobicContact CB-CB 4.26Å; K105-M117 HydrophobicContact CB-CE 4.39Å; K105-M117 HydrophobicContact CG-CE 4.01Å; K105-M117 PolarHBondContact O-N 3.18Å
106	V	97.8	Very high	95.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.4	166	-176.6	0	0	0	0	108.1	V86 V88 N104 L114 G115 Y249	V86-V106 HydrophobicContact CG1-CG2 4.09Å; V88-V106 HydrophobicContact CB-CG2 4.37Å; V88-V106 HydrophobicContact CG1-CG2 3.72Å; V88-V106 HydrophobicContact CG2-CG2 3.63Å; N104-V106 PolarHBondContact ND2-O 3.44Å; N104-V106 VanDerWaalsContact ND2-O 3.15Å; N104-V106 PolarHBondContact OD1-N 3.43Å; N104-V106 PolarHBondContact OD1-O 3.39Å; V106-L114 HydrophobicContact CG1-CB 4.18Å; V106-L114 HydrophobicContact CG1-CD1 4.26Å; V106-L114 HydrophobicContact CG1-CD2 3.64Å; V106-L114 HydrophobicContact CG1-CG 4.23Å; V106-G115 CarbonylContact C-O 3.39Å; V106-G115 WeakPolarHBondContact CA-O 3.36Å; V106-Y249 HydrophobicContact CB-CD2 3.98Å; V106-Y249 HydrophobicContact CB-CE2 3.69Å; V106-Y249 HydrophobicContact CG1-CD1 4.47Å; V106-Y249 HydrophobicContact CG1-CD2 3.97Å; V106-Y249 HydrophobicContact CG1-CE1 4.47Å; V106-Y249 HydrophobicContact CG1-CE2 3.99Å; V106-Y249 HydrophobicContact CG1-CG 4.23Å; V106-Y249 HydrophobicContact CG2-CD2 3.74Å; V106-Y249 HydrophobicContact CG2-CE2 3.82Å
107	I	96.8	Very high	95.5	Very high	31 Å²	31	51.9 Å²	51.9	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.6	175.8	-60.7	174.5	0	0	0	108	I109 G115 M117 Q125 E128	I107-I109 HydrophobicContact CG2-CG1 4.34Å; I107-I109 PolarHBondContact O-N 3.31Å; I107-G115 PolarHBondContact N-O 3.32Å; I107-G115 PolarHBondContact O-N 3.02Å; I107-M117 HydrophobicContact CD1-CB 4.49Å; I107-Q125 HydrophobicContact CD1-CG 4.17Å; I107-E128 HydrophobicContact CB-CB 4.5Å; I107-E128 VanDerWaalsContact CB-OE2 3.3Å; I107-E128 WeakPolarHBondContact CB-OE2 3.1Å; I107-E128 HydrophobicContact CD1-CB 3.87Å; I107-E128 HydrophobicContact CD1-CG 4.24Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.28Å; I107-E128 HydrophobicContact CG2-CB 4.11Å
108	E	97.3	Very high	95.7	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.421	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	81.7	179	-64.2	169.2	-168.1	0	0	109.1	N110 L114 Y249 W256	E108-N110 PolarHBondContact O-N 2.83Å; E108-L114 HydrophobicContact CB-CD2 4.47Å; E108-L114 HydrophobicContact CG-CD2 4.01Å; E108-Y249 HydrophobicContact CG-CE1 4.28Å; E108-Y249 WeakPolarHBondContact OE1-CE1 3.47Å; E108-Y249 PolarHBondContact OE1-OH 3.38Å; E108-W256 HydrophobicContact CB-CH2 4.41Å; E108-W256 HydrophobicContact CB-CZ2 3.77Å; E108-W256 HydrophobicContact CG-CH2 3.74Å; E108-W256 HydrophobicContact CG-CZ2 3.53Å; E108-W256 HydrophobicContact CG-CZ3 4.49Å; E108-W256 VanDerWaalsContact OE2-CH2 3.23Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.34Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.47Å
109	I	95.8	Very high	95.6	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-46.3	-175.7	-57.7	168.2	0	0	0	110.3	I107 L113 L131 A132 I173	I107-I109 HydrophobicContact CG2-CG1 4.34Å; I107-I109 PolarHBondContact O-N 3.31Å; I109-L113 HydrophobicContact CB-CB 4.37Å; I109-L113 HydrophobicContact CB-CD2 4.29Å; I109-L113 HydrophobicContact CD1-CD2 3.97Å; I109-L113 HydrophobicContact CD1-CG 4.21Å; I109-L113 HydrophobicContact CG2-CD2 3.97Å; I109-L113 PolarHBondContact N-O 2.83Å; I109-L131 HydrophobicContact CD1-CD2 3.95Å; I109-A132 HydrophobicContact CB-CB 4.49Å; I109-A132 VanDerWaalsContact CG2-CA 3.49Å; I109-A132 HydrophobicContact CG2-CB 3.63Å; I109-A132 WeakPolarHBondContact O-CB 3.39Å; I109-I173 HydrophobicContact CD1-CD1 4.01Å
110	N	94.5	Very high	95.6	Very high	46 Å²	46	41 Å²	41	25%	0.246	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	174.4	170.3	65.4	53.9	0	0	0	109.5	E108 Y112 L113 W256	E108-N110 PolarHBondContact O-N 2.83Å; N110-Y112 PolarHBondContact O-N 3.49Å; N110-Y112 VanDerWaalsContact OD1-C 3.31Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.23Å; N110-Y112 PolarHBondContact OD1-N 2.99Å; N110-L113 PolarHBondContact N-O 3.03Å; N110-L113 WeakPolarHBondContact ND2-CB 3.38Å; N110-L113 PolarHBondContact O-N 2.85Å; N110-L113 VanDerWaalsContact OD1-CB 3.3Å; N110-L113 WeakPolarHBondContact OD1-CB 3.34Å; N110-L113 PolarHBondContact OD1-N 2.96Å; N110-W256 PolarHBondContact O-NE1 2.96Å
111	P	96.1	Very high	95.4	Very high	83 Å²	83	40 Å²	40	54%	0.539	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.7	-178.7	-27.3	36.7	0	0	0	116.4	G255 W256	P111-G255 WeakPolarHBondContact O-CA 3.31Å; P111-W256 VanDerWaalsContact C-CD1 3.4Å; P111-W256 PolarHBondContact O-N 2.97Å; P111-W256 VanDerWaalsContact O-N 3.1Å
112	Y	96.4	Very high	95.3	Very high	80 Å²	80	38.6 Å²	38.6	31%	0.314	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	5.3	-176.5	-51.2	-82.4	0	0	0	113.4	N110 G175 W176 D254	N110-Y112 PolarHBondContact O-N 3.49Å; N110-Y112 VanDerWaalsContact OD1-C 3.31Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.23Å; N110-Y112 PolarHBondContact OD1-N 2.99Å; Y112-G175 VanDerWaalsContact O-CA 3.23Å; Y112-G175 WeakPolarHBondContact O-CA 3.38Å; Y112-W176 PolarHBondContact O-N 3.13Å; Y112-D254 WeakPolarHBondContact CE1-O 3.48Å
113	L	97.8	Very high	95.2	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	124.7	-176.4	-160.5	77.8	0	0	0	109.5	I109 N110 V148 A151 I173 C174	I109-L113 HydrophobicContact CB-CB 4.37Å; I109-L113 HydrophobicContact CB-CD2 4.29Å; I109-L113 HydrophobicContact CD1-CD2 3.97Å; I109-L113 HydrophobicContact CD1-CG 4.21Å; I109-L113 HydrophobicContact CG2-CD2 3.97Å; I109-L113 PolarHBondContact N-O 2.83Å; N110-L113 PolarHBondContact N-O 3.03Å; N110-L113 WeakPolarHBondContact ND2-CB 3.38Å; N110-L113 PolarHBondContact O-N 2.85Å; N110-L113 VanDerWaalsContact OD1-CB 3.3Å; N110-L113 WeakPolarHBondContact OD1-CB 3.34Å; N110-L113 PolarHBondContact OD1-N 2.96Å; L113-V148 HydrophobicContact CD1-CB 4.35Å; L113-V148 HydrophobicContact CD1-CG1 3.97Å; L113-V148 HydrophobicContact CD1-CG2 4.12Å; L113-A151 HydrophobicContact CD2-CB 3.69Å; L113-I173 HydrophobicContact CD1-CG2 3.8Å; L113-I173 HydrophobicContact CD2-CG2 4.21Å; L113-I173 HydrophobicContact CG-CG2 4.11Å; L113-C174 CarbonylContact C-O 3.6Å; L113-C174 WeakPolarHBondContact CA-O 3.3Å
114	L	98.6	Very high	95.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.1	174.4	-68.7	171.8	0	0	0	109.2	V86 V106 E108 C174 Y249 M251 W256	V86-L114 HydrophobicContact CG2-CD1 4.49Å; V106-L114 HydrophobicContact CG1-CB 4.18Å; V106-L114 HydrophobicContact CG1-CD1 4.26Å; V106-L114 HydrophobicContact CG1-CD2 3.64Å; V106-L114 HydrophobicContact CG1-CG 4.23Å; E108-L114 HydrophobicContact CB-CD2 4.47Å; E108-L114 HydrophobicContact CG-CD2 4.01Å; L114-C174 HydrophobicContact CB-CB 4.45Å; L114-C174 PolarHBondContact N-O 2.92Å; L114-C174 PolarHBondContact O-N 2.87Å; L114-Y249 HydrophobicContact CD1-CD1 4.03Å; L114-Y249 HydrophobicContact CD1-CG 4.08Å; L114-Y249 HydrophobicContact CD2-CD1 4.22Å; L114-Y249 HydrophobicContact CD2-CE1 4.48Å; L114-M251 HydrophobicContact CB-CE 4.25Å; L114-M251 HydrophobicContact CD1-CE 3.89Å; L114-M251 HydrophobicContact CG-CE 3.76Å; L114-W256 HydrophobicContact CD1-CB 3.73Å; L114-W256 HydrophobicContact CD1-CG 3.97Å; L114-W256 HydrophobicContact CD2-CB 4.5Å; L114-W256 HydrophobicContact CD2-CD2 3.96Å; L114-W256 HydrophobicContact CD2-CG 3.82Å; L114-W256 HydrophobicContact CG-CB 4.12Å; L114-W256 HydrophobicContact CG-CG 3.88Å
115	G	98.1	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.5	166.6	0	0	0	0	0	110.7	V106 I107 E128 M172	V106-G115 CarbonylContact C-O 3.39Å; V106-G115 WeakPolarHBondContact CA-O 3.36Å; I107-G115 PolarHBondContact N-O 3.32Å; I107-G115 PolarHBondContact O-N 3.02Å; G115-E128 WeakPolarHBondContact CA-OE2 3.44Å; G115-M172 WeakPolarHBondContact CA-O 3.42Å
116	T	97.8	Very high	95.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.4	179.7	63.7	0	0	0	0	110.8	V86 V88 K105 S171 M172	V86-T116 HydrophobicContact CG1-CG2 3.51Å; V88-T116 HydrophobicContact CG1-CG2 4.36Å; K105-T116 CarbonylContact O-C 3.59Å; K105-T116 WeakPolarHBondContact O-CA 3.18Å; T116-S171 PolarHBondContact N-OG 3.15Å; T116-S171 VanDerWaalsContact O-CA 3.25Å; T116-S171 WeakPolarHBondContact O-CA 3.45Å; T116-S171 VanDerWaalsContact O-CB 3.24Å; T116-S171 WeakPolarHBondContact O-CB 3.13Å; T116-S171 PolarHBondContact O-OG 3.2Å; T116-M172 HydrophobicContact CG2-CB 4.16Å; T116-M172 HydrophobicContact CG2-CE 3.83Å; T116-M172 PolarHBondContact N-O 3.3Å; T116-M172 WeakPolarHBondContact OG1-CB 3.5Å; T116-M172 WeakPolarHBondContact OG1-CE 3.32Å; T116-M172 PolarHBondContact OG1-N 3.01Å
117	M	95.7	Very high	95.3	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.034	21%	0.209	C	C	.	.			trans	-94.7	114.1	179.4	175.1	164.2	72.7	0	0	110.9	V103 K105 I107 A121 C124 Q125	V103-M117 HydrophobicContact CG1-CE 3.44Å; V103-M117 VanDerWaalsContact CG1-CE 3.44Å; K105-M117 HydrophobicContact CB-CB 4.26Å; K105-M117 HydrophobicContact CB-CE 4.39Å; K105-M117 HydrophobicContact CG-CE 4.01Å; K105-M117 PolarHBondContact O-N 3.18Å; I107-M117 HydrophobicContact CD1-CB 4.49Å; M117-A121 HydrophobicContact CE-CB 4.38Å; M117-A121 VanDerWaalsContact SD-CA 3.59Å; M117-A121 HydrophobicContact SD-CB 3.86Å; M117-C124 HydrophobicContact CB-CB 3.93Å; M117-C124 HydrophobicContact CG-CB 3.48Å; M117-C124 VanDerWaalsContact CG-CB 3.48Å; M117-C124 HydrophobicContact SD-CB 3.99Å; M117-Q125 HydrophobicContact SD-CG 3.77Å
118	S	93.5	Very high	95.3	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.028	20%	0.202	C	C	.	.			trans	-142	135.2	168.1	168.9	0	0	0	0	109.7	C124 G170 T200 G201	S118-C124 PolarHBondContact O-SG 3Å; S118-C124 VanDerWaalsContact O-SG 3.4Å; S118-G170 WeakPolarHBondContact CB-O 3.48Å; S118-G170 PolarHBondContact O-N 3.06Å; S118-T200 WeakPolarHBondContact CB-OG1 3.25Å; S118-T200 PolarHBondContact OG-OG1 3.17Å; S118-G201 VanDerWaalsContact OG-CA 3.23Å; S118-G201 WeakPolarHBondContact OG-CA 3.31Å; S118-G201 PolarHBondContact OG-N 2.97Å
119	G	91.4	Very high	95.3	Very high	15 Å²	15	42.1 Å²	42.1	16%	0.155	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	106.1	-147.1	-168.9	0	0	0	0	0	111.4	A121 S168	G119-A121 PolarHBondContact O-N 3.34Å; G119-S168 WeakPolarHBondContact CA-OG 3.42Å
120	C	91.5	Very high	95.3	Very high	45 Å²	45	41.9 Å²	41.9	30%	0.304	22%	0.217	S	C	.	.			trans	-65.1	120.4	175.9	179	0	0	0	0	110.3	A122 D123 C124 S168	C120-A122 VanDerWaalsContact C-N 3.26Å; C120-A122 PolarHBondContact O-N 2.99Å; C120-D123 HydrophobicContact CB-CB 3.98Å; C120-D123 VanDerWaalsContact CB-OD2 3.27Å; C120-D123 WeakPolarHBondContact CB-OD2 3.49Å; C120-D123 PolarHBondContact O-N 3.36Å; C120-C124 PolarHBondContact O-N 3.38Å; C120-C124 VanDerWaalsContact O-N 3.12Å; C120-C124 PolarHBondContact O-SG 2.91Å; C120-S168 WeakPolarHBondContact CB-O 3.18Å; C120-S168 PolarHBondContact N-O 2.81Å; C120-S168 PolarHBondContact N-OG 3.42Å
121	A	91.5	Very high	95.4	Very high	44 Å²	44	39.7 Å²	39.7	36%	0.364	21%	0.205	S	C	.	.	H	α-helix	trans	-60.9	-36.4	-177.8	0	0	0	0	0	112.5	M117 G119 Q125	M117-A121 HydrophobicContact CE-CB 4.38Å; M117-A121 VanDerWaalsContact SD-CA 3.59Å; M117-A121 HydrophobicContact SD-CB 3.86Å; G119-A121 PolarHBondContact O-N 3.34Å; A121-Q125 WeakPolarHBondContact O-CB 3.41Å; A121-Q125 VanDerWaalsContact O-CG 3.23Å; A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 2.78Å; A121-Q125 VanDerWaalsContact O-N 3.12Å
122	A	91.7	Very high	95.4	Very high	64 Å²	64	36.9 Å²	36.9	53%	0.529	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-44.2	178.7	0	0	0	0	0	111.8	C120 Q125 Y126	C120-A122 VanDerWaalsContact C-N 3.26Å; C120-A122 PolarHBondContact O-N 2.99Å; A122-Q125 PolarHBondContact O-N 3.48Å; A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.14Å; A122-Y126 PolarHBondContact O-N 2.94Å
123	D	93.6	Very high	95.5	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-50.2	-179.4	-64	-14.5	0	0	0	110.6	C120 Q125 Y126 W127 S168	C120-D123 HydrophobicContact CB-CB 3.98Å; C120-D123 VanDerWaalsContact CB-OD2 3.27Å; C120-D123 WeakPolarHBondContact CB-OD2 3.49Å; C120-D123 PolarHBondContact O-N 3.36Å; D123-Q125 PolarHBondContact O-N 3.09Å; D123-Y126 PolarHBondContact O-N 3.5Å; D123-W127 WeakPolarHBondContact O-CB 2.86Å; D123-W127 PolarHBondContact O-N 3.28Å; D123-S168 PolarHBondContact OD2-N 3.38Å
124	C	95.1	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-49.5	178.6	-59.5	0	0	0	0	111.2	M117 S118 C120 Y126 E128 M169	M117-C124 HydrophobicContact CB-CB 3.93Å; M117-C124 HydrophobicContact CG-CB 3.48Å; M117-C124 VanDerWaalsContact CG-CB 3.48Å; M117-C124 HydrophobicContact SD-CB 3.99Å; S118-C124 PolarHBondContact O-SG 3Å; S118-C124 VanDerWaalsContact O-SG 3.4Å; C120-C124 PolarHBondContact O-N 3.38Å; C120-C124 VanDerWaalsContact O-N 3.12Å; C120-C124 PolarHBondContact O-SG 2.91Å; C124-Y126 PolarHBondContact O-N 3.43Å; C124-E128 VanDerWaalsContact O-CB 3.24Å; C124-E128 WeakPolarHBondContact O-CB 3.29Å; C124-E128 VanDerWaalsContact O-CG 3.31Å; C124-E128 WeakPolarHBondContact O-CG 3.16Å; C124-E128 PolarHBondContact O-N 3.03Å; C124-M169 HydrophobicContact CB-CG 4.44Å; C124-M169 VanDerWaalsContact SG-CG 3.59Å
125	Q	95.3	Very high	95.3	Very high	102 Å²	102	37.1 Å²	37.1	48%	0.477	19%	0.192	S	C	.	.	H	α-helix	trans	-62.1	-43.1	-179.5	-75	177.2	35.8	0	0	112.6	I107 M117 A121 A122 D123 R129	I107-Q125 HydrophobicContact CD1-CG 4.17Å; M117-Q125 HydrophobicContact SD-CG 3.77Å; A121-Q125 WeakPolarHBondContact O-CB 3.41Å; A121-Q125 VanDerWaalsContact O-CG 3.23Å; A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 2.78Å; A121-Q125 VanDerWaalsContact O-N 3.12Å; A122-Q125 PolarHBondContact O-N 3.48Å; D123-Q125 PolarHBondContact O-N 3.09Å; Q125-R129 WeakPolarHBondContact O-CB 3.34Å; Q125-R129 PolarHBondContact O-N 3.47Å; Q125-R129 VanDerWaalsContact O-N 3.14Å
126	Y	96.1	Very high	95.2	Very high	125 Å²	125	44 Å²	44	49%	0.49	22%	0.218	S	C	.	.	H	α-helix	trans	-66.1	-53.3	-179	179.9	-92.9	0	0	0	111.2	A122 D123 C124 R129 L130	A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.14Å; A122-Y126 PolarHBondContact O-N 2.94Å; D123-Y126 PolarHBondContact O-N 3.5Å; C124-Y126 PolarHBondContact O-N 3.43Å; Y126-R129 PolarHBondContact O-N 3.27Å; Y126-L130 PolarHBondContact O-N 2.75Å
127	W	96.4	Very high	95.1	Very high	19 Å²	19	46.5 Å²	46.5	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-35.9	-173.5	-71.7	114.4	0	0	0	112.9	D123 L130 L131 L155 M158 M159 Y162 L167	D123-W127 WeakPolarHBondContact O-CB 2.86Å; D123-W127 PolarHBondContact O-N 3.28Å; W127-L130 HydrophobicContact CE3-CD2 3.6Å; W127-L130 HydrophobicContact CZ3-CD2 3.42Å; W127-L130 VanDerWaalsContact CZ3-CD2 3.42Å; W127-L130 PolarHBondContact O-N 3.38Å; W127-L131 WeakPolarHBondContact O-CB 3.39Å; W127-L131 PolarHBondContact O-N 2.89Å; W127-L155 HydrophobicContact CB-CD1 4.08Å; W127-M158 HydrophobicContact CE3-CB 3.95Å; W127-M158 HydrophobicContact CE3-CG 4.38Å; W127-M158 HydrophobicContact CE3-SD 4.07Å; W127-M158 HydrophobicContact CZ3-CB 3.88Å; W127-M158 HydrophobicContact CZ3-CG 4.25Å; W127-M158 HydrophobicContact CZ3-SD 4.4Å; W127-M159 HydrophobicContact CB-CE 3.86Å; W127-M159 HydrophobicContact CD2-CE 3.3Å; W127-M159 HydrophobicContact CE3-CE 3.81Å; W127-M159 HydrophobicContact CG-CE 3.29Å; W127-M159 HydrophobicContact CZ2-CE 4.37Å; W127-Y162 AromaticContact CH2-CD2 3.73Å; W127-Y162 HydrophobicContact CH2-CD2 3.73Å; W127-Y162 AromaticContact CH2-CE2 3.38Å; W127-Y162 HydrophobicContact CH2-CE2 3.38Å; W127-Y162 AromaticContact CH2-CZ 3.98Å; W127-Y162 AromaticContact CZ2-CD2 3.79Å; W127-Y162 HydrophobicContact CZ2-CD2 3.79Å; W127-Y162 AromaticContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CG 4.22Å; W127-Y162 HydrophobicContact CZ3-CE2 4.46Å; W127-L167 HydrophobicContact CZ2-CD1 4.49Å
128	E	97	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.5	-31.8	174.7	-67.2	-172.8	-149	0	0	112.3	I107 G115 C124 L131 A132 S171	I107-E128 HydrophobicContact CB-CB 4.5Å; I107-E128 VanDerWaalsContact CB-OE2 3.3Å; I107-E128 WeakPolarHBondContact CB-OE2 3.1Å; I107-E128 HydrophobicContact CD1-CB 3.87Å; I107-E128 HydrophobicContact CD1-CG 4.24Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.28Å; I107-E128 HydrophobicContact CG2-CB 4.11Å; G115-E128 WeakPolarHBondContact CA-OE2 3.44Å; C124-E128 VanDerWaalsContact O-CB 3.24Å; C124-E128 WeakPolarHBondContact O-CB 3.29Å; C124-E128 VanDerWaalsContact O-CG 3.31Å; C124-E128 WeakPolarHBondContact O-CG 3.16Å; C124-E128 PolarHBondContact O-N 3.03Å; E128-L131 WeakPolarHBondContact O-CB 3.49Å; E128-L131 PolarHBondContact O-N 2.99Å; E128-A132 PolarHBondContact O-N 2.71Å; E128-S171 VanDerWaalsContact OE1-CB 3.25Å; E128-S171 WeakPolarHBondContact OE1-CB 3.44Å; E128-S171 PolarHBondContact OE1-OG 3.34Å
129	R	96.7	Very high	95.3	Very high	201 Å²	201	54.9 Å²	54.9	76%	0.758	26%	0.263	S	S	*	.	H	α-helix	trans	-68.7	-36.8	170.8	-175.1	174.9	-178	153.4	1.2	111.9	Q125 Y126 L131 A132 K133	Q125-R129 WeakPolarHBondContact O-CB 3.34Å; Q125-R129 PolarHBondContact O-N 3.47Å; Q125-R129 VanDerWaalsContact O-N 3.14Å; Y126-R129 PolarHBondContact O-N 3.27Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-A132 WeakPolarHBondContact O-CB 3.38Å; R129-A132 PolarHBondContact O-N 2.87Å; R129-K133 PolarHBondContact O-N 2.97Å; R129-K133 VanDerWaalsContact O-N 3.13Å
130	L	96.4	Very high	95.6	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-41.9	171.6	-176	65.1	0	0	0	110.8	F35 Y126 W127 A132 K133 E134 M158	F35-L130 HydrophobicContact CD2-CD1 4.32Å; F35-L130 HydrophobicContact CE2-CD1 3.73Å; Y126-L130 PolarHBondContact O-N 2.75Å; W127-L130 HydrophobicContact CE3-CD2 3.6Å; W127-L130 HydrophobicContact CZ3-CD2 3.42Å; W127-L130 VanDerWaalsContact CZ3-CD2 3.42Å; W127-L130 PolarHBondContact O-N 3.38Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 3.18Å; L130-K133 HydrophobicContact CD1-CD 4.26Å; L130-K133 WeakPolarHBondContact O-CB 3.34Å; L130-K133 PolarHBondContact O-N 2.93Å; L130-K133 VanDerWaalsContact O-N 3.16Å; L130-E134 PolarHBondContact O-N 2.97Å; L130-M158 HydrophobicContact CD2-CE 4.43Å; L130-M158 HydrophobicContact CD2-SD 4.16Å; L130-M158 HydrophobicContact CG-CE 4.33Å; L130-M158 HydrophobicContact CG-SD 4.47Å
131	L	96.8	Very high	95.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-42.9	172.7	178.7	65.7	0	0	0	111.6	I109 W127 E128 R129 K133 E134 C135 A151 L154 L155 I173	I109-L131 HydrophobicContact CD1-CD2 3.95Å; W127-L131 WeakPolarHBondContact O-CB 3.39Å; W127-L131 PolarHBondContact O-N 2.89Å; E128-L131 WeakPolarHBondContact O-CB 3.49Å; E128-L131 PolarHBondContact O-N 2.99Å; R129-L131 VanDerWaalsContact C-N 3.34Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 2.81Å; L131-E134 PolarHBondContact O-N 3.26Å; L131-C135 WeakPolarHBondContact O-CB 3.4Å; L131-C135 PolarHBondContact O-N 2.97Å; L131-C135 PolarHBondContact O-SG 3.19Å; L131-A151 HydrophobicContact CD1-CB 4.38Å; L131-A151 WeakPolarHBondContact CD1-O 3.44Å; L131-L154 HydrophobicContact CD1-CB 4.09Å; L131-L155 HydrophobicContact CD1-CB 4.45Å; L131-L155 HydrophobicContact CD2-CB 4.16Å; L131-L155 HydrophobicContact CD2-CD2 4.27Å; L131-I173 HydrophobicContact CD2-CD1 4.05Å
132	A	96.9	Very high	96.1	Very high	24 Å²	24	67.2 Å²	67.2	20%	0.198	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-44.4	174.4	0	0	0	0	0	112.2	I109 E128 R129 L130 C135 R136	I109-A132 HydrophobicContact CB-CB 4.49Å; I109-A132 VanDerWaalsContact CG2-CA 3.49Å; I109-A132 HydrophobicContact CG2-CB 3.63Å; I109-A132 WeakPolarHBondContact O-CB 3.39Å; E128-A132 PolarHBondContact O-N 2.71Å; R129-A132 WeakPolarHBondContact O-CB 3.38Å; R129-A132 PolarHBondContact O-N 2.87Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 3.18Å; A132-C135 PolarHBondContact O-N 3.47Å; A132-R136 WeakPolarHBondContact O-CB 3.27Å; A132-R136 PolarHBondContact O-N 3.43Å
133	K	96.8	Very high	96.4	Very high	66 Å²	66	67.1 Å²	67.1	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-50	174.7	168.4	-174.2	162.4	-160.3	0	111.3	F35 R129 L130 L131 C135 R136 L137	F35-K133 HydrophobicContact CE1-CD 3.8Å; F35-K133 VanDerWaalsContact CE1-NZ 3.29Å; F35-K133 HydrophobicContact CE2-CD 3.84Å; F35-K133 VanDerWaalsContact CE2-NZ 3.32Å; F35-K133 HydrophobicContact CZ-CD 3.3Å; F35-K133 VanDerWaalsContact CZ-NZ 3.27Å; R129-K133 PolarHBondContact O-N 2.97Å; R129-K133 VanDerWaalsContact O-N 3.13Å; L130-K133 HydrophobicContact CD1-CD 4.26Å; L130-K133 WeakPolarHBondContact O-CB 3.34Å; L130-K133 PolarHBondContact O-N 2.93Å; L130-K133 VanDerWaalsContact O-N 3.16Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 2.81Å; K133-C135 VanDerWaalsContact C-N 3.34Å; K133-C135 PolarHBondContact O-N 3.05Å; K133-R136 WeakPolarHBondContact O-CB 3.36Å; K133-R136 PolarHBondContact O-N 3.25Å; K133-R136 VanDerWaalsContact O-N 3.17Å; K133-L137 PolarHBondContact O-N 3.1Å
134	E	96.3	Very high	96.5	Very high	17 Å²	17	69.7 Å²	69.7	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-65.2	-38.4	-179.1	-66.1	-50.7	132.4	0	0	112.1	Y33 L130 L131 R136 L137 Y138 M158	Y33-E134 HydrophobicContact CD1-CG 3.99Å; Y33-E134 HydrophobicContact CE1-CG 4.17Å; L130-E134 PolarHBondContact O-N 2.97Å; L131-E134 PolarHBondContact O-N 3.26Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 3.48Å; E134-L137 PolarHBondContact O-N 2.87Å; E134-Y138 WeakPolarHBondContact O-CB 3.25Å; E134-Y138 PolarHBondContact O-N 2.95Å; E134-M158 HydrophobicContact CB-CE 4.45Å; E134-M158 HydrophobicContact CG-CE 3.84Å
135	C	96.4	Very high	96.5	Very high	6 Å²	6	75.9 Å²	75.9	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-40.1	173.2	-67.3	0	0	0	0	111.6	L131 A132 K133 Y139 I146	L131-C135 WeakPolarHBondContact O-CB 3.4Å; L131-C135 PolarHBondContact O-N 2.97Å; L131-C135 PolarHBondContact O-SG 3.19Å; A132-C135 PolarHBondContact O-N 3.47Å; K133-C135 VanDerWaalsContact C-N 3.34Å; K133-C135 PolarHBondContact O-N 3.05Å; C135-Y139 PolarHBondContact O-N 3.28Å; C135-Y139 VanDerWaalsContact O-N 3.14Å; C135-I146 HydrophobicContact CB-CG2 3.97Å
136	R	95.7	Very high	96.6	Very high	145 Å²	145	71.9 Å²	71.9	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-68.4	-41.7	176.4	-177.6	58.2	175.5	163.6	-0.1	111.7	A132 K133 E134 Y138 Y139 L140	A132-R136 WeakPolarHBondContact O-CB 3.27Å; A132-R136 PolarHBondContact O-N 3.43Å; K133-R136 WeakPolarHBondContact O-CB 3.36Å; K133-R136 PolarHBondContact O-N 3.25Å; K133-R136 VanDerWaalsContact O-N 3.17Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 3.48Å; R136-Y138 VanDerWaalsContact C-N 3.34Å; R136-Y139 WeakPolarHBondContact O-CB 3.46Å; R136-Y139 PolarHBondContact O-N 3.25Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 3.47Å; R136-L140 VanDerWaalsContact O-N 3.07Å
137	L	96.8	Very high	96.6	Very high	53 Å²	53	67.8 Å²	67.8	28%	0.277	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-41.2	176.3	-177.5	59.8	0	0	0	111.5	K133 E134 Y139 L140 R141	K133-L137 PolarHBondContact O-N 3.1Å; E134-L137 PolarHBondContact O-N 2.87Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.36Å; L137-L140 PolarHBondContact O-N 2.86Å; L137-R141 HydrophobicContact CD1-CG 4.39Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-R141 PolarHBondContact O-N 2.89Å
138	Y	97.1	Very high	96.7	Very high	87 Å²	87	67 Å²	67	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-56.6	-45.6	173	-178.2	-85.9	0	0	0	111.5	E134 R136 L140 R141 N142 I146	E134-Y138 WeakPolarHBondContact O-CB 3.25Å; E134-Y138 PolarHBondContact O-N 2.95Å; R136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.3Å; Y138-R141 PolarHBondContact O-N 2.72Å; Y138-N142 VanDerWaalsContact CD2-ND2 3.34Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.44Å; Y138-N142 HydrophobicContact CE1-CB 4.3Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.34Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.26Å; Y138-N142 WeakPolarHBondContact O-CB 3.23Å; Y138-N142 PolarHBondContact O-N 3.43Å; Y138-N142 PolarHBondContact O-ND2 2.88Å; Y138-I146 HydrophobicContact CD1-CB 3.66Å; Y138-I146 HydrophobicContact CD1-CG1 4.13Å; Y138-I146 HydrophobicContact CD2-CD1 4.47Å; Y138-I146 HydrophobicContact CE1-CB 4.03Å; Y138-I146 HydrophobicContact CE1-CG1 4.32Å; Y138-I146 HydrophobicContact CG-CB 4.15Å; Y138-I146 HydrophobicContact CG-CD1 4.25Å; Y138-I146 HydrophobicContact CG-CG1 4.26Å
139	Y	96.3	Very high	96.7	Very high	101 Å²	101	68.3 Å²	68.3	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-44.3	177.2	179.8	-92	0	0	0	112.4	C135 R136 L137 R141 G143 E144 R145	C135-Y139 PolarHBondContact O-N 3.28Å; C135-Y139 VanDerWaalsContact O-N 3.14Å; R136-Y139 WeakPolarHBondContact O-CB 3.46Å; R136-Y139 PolarHBondContact O-N 3.25Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.36Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 3.1Å; Y139-G143 VanDerWaalsContact O-CA 3.31Å; Y139-G143 WeakPolarHBondContact O-CA 3.48Å; Y139-G143 PolarHBondContact O-N 2.85Å; Y139-E144 WeakPolarHBondContact CA-O 3.48Å; Y139-R145 HydrophobicContact CD2-CG 4.04Å; Y139-R145 HydrophobicContact CE2-CG 4.14Å
140	L	97.3	Very high	96.8	Very high	115 Å²	115	60.3 Å²	60.3	60%	0.602	30%	0.298	S	S	*	.	H	α-helix	trans	-66	-34.5	179.3	-67.2	174.6	0	0	0	112.7	R136 L137 Y138	R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 3.47Å; R136-L140 VanDerWaalsContact O-N 3.07Å; L137-L140 PolarHBondContact O-N 2.86Å; Y138-L140 PolarHBondContact O-N 3.3Å
141	R	97.1	Very high	96.9	Very high	154 Å²	154	60 Å²	60	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-75.7	-41.3	179.6	-73.3	172.8	171.8	178.5	-7	113.2	L137 Y138 Y139	L137-R141 HydrophobicContact CD1-CG 4.39Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-R141 PolarHBondContact O-N 2.89Å; Y138-R141 PolarHBondContact O-N 2.72Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 3.1Å
142	N	97.1	Very high	96.9	Very high	94 Å²	94	60 Å²	60	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-103.2	-12.5	-170.4	-59.7	-78.5	0	0	0	113.5	Y138 E144	Y138-N142 VanDerWaalsContact CD2-ND2 3.34Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.44Å; Y138-N142 HydrophobicContact CE1-CB 4.3Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.34Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.26Å; Y138-N142 WeakPolarHBondContact O-CB 3.23Å; Y138-N142 PolarHBondContact O-N 3.43Å; Y138-N142 PolarHBondContact O-ND2 2.88Å; N142-E144 PolarHBondContact O-N 3.17Å
143	G	96.4	Very high	97	Very high	61 Å²	61	63.5 Å²	63.5	63%	0.629	31%	0.307	S	S	*	.	S	Bend	trans	66.2	10.3	-171.4	0	0	0	0	0	113.8	Y139	Y139-G143 VanDerWaalsContact O-CA 3.31Å; Y139-G143 WeakPolarHBondContact O-CA 3.48Å; Y139-G143 PolarHBondContact O-N 2.85Å
144	E	95.9	Very high	97	Very high	85 Å²	85	62.7 Å²	62.7	40%	0.397	31%	0.306	S	S	.	.	S	Bend	trans	-131.1	147.3	-176.7	-160.7	-171.4	134.3	0	0	111.3	Y139 N142 K178	Y139-E144 WeakPolarHBondContact CA-O 3.48Å; N142-E144 PolarHBondContact O-N 3.17Å; E144-K178 WeakPolarHBondContact OE1-CE 3.46Å; E144-K178 IonicContact OE1-NZ 2.87Å; E144-K178 PolarHBondContact OE1-NZ 2.89Å; E144-K178 IonicContact OE2-NZ 3.86Å; E144-K178 PolarHBondContact OE2-NZ 3.34Å
145	R	95.1	Very high	97	Very high	130 Å²	130	61.9 Å²	61.9	49%	0.491	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.9	140.9	173.5	-69	-179.9	-81.7	178.6	-5.7	110.9	Y139	Y139-R145 HydrophobicContact CD2-CG 4.04Å; Y139-R145 HydrophobicContact CE2-CG 4.14Å
146	I	97.1	Very high	97.1	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.097	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-67	145.5	174.6	-165.2	168.7	0	0	0	110.8	C135 Y138 A150 A151 L154	C135-I146 HydrophobicContact CB-CG2 3.97Å; Y138-I146 HydrophobicContact CD1-CB 3.66Å; Y138-I146 HydrophobicContact CD1-CG1 4.13Å; Y138-I146 HydrophobicContact CD2-CD1 4.47Å; Y138-I146 HydrophobicContact CE1-CB 4.03Å; Y138-I146 HydrophobicContact CE1-CG1 4.32Å; Y138-I146 HydrophobicContact CG-CB 4.15Å; Y138-I146 HydrophobicContact CG-CD1 4.25Å; Y138-I146 HydrophobicContact CG-CG1 4.26Å; I146-A150 HydrophobicContact CD1-CB 4.03Å; I146-A150 HydrophobicContact CG1-CB 3.69Å; I146-A151 HydrophobicContact CD1-CB 4.28Å; I146-A151 HydrophobicContact CG2-CB 4.35Å; I146-L154 HydrophobicContact CD1-CD1 3.65Å
147	S	97.8	Very high	97.1	Very high	38 Å²	38	57.5 Å²	57.5	27%	0.266	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-75.2	154.7	172.6	71.4	0	0	0	0	111.6	S149 A150 A151 D177	S147-S149 PolarHBondContact O-N 2.92Å; S147-S149 PolarHBondContact OG-OG 3Å; S147-A150 PolarHBondContact O-N 2.83Å; S147-A150 VanDerWaalsContact O-N 3.13Å; S147-A150 VanDerWaalsContact OG-CB 3.29Å; S147-A150 WeakPolarHBondContact OG-CB 3.25Å; S147-A150 PolarHBondContact OG-N 3.19Å; S147-A150 VanDerWaalsContact OG-N 3.09Å; S147-A151 PolarHBondContact O-N 3.1Å; S147-D177 WeakPolarHBondContact CB-OD2 3.39Å
148	V	98	Very high	96.9	Very high	3 Å²	3	55 Å²	55	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-35.7	177.5	-168.5	0	0	0	0	110	L113 A150 S152 I173 D177 Y184	L113-V148 HydrophobicContact CD1-CB 4.35Å; L113-V148 HydrophobicContact CD1-CG1 3.97Å; L113-V148 HydrophobicContact CD1-CG2 4.12Å; V148-A150 PolarHBondContact O-N 3.24Å; V148-S152 WeakPolarHBondContact O-CB 3.4Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-S152 PolarHBondContact O-OG 3.45Å; V148-I173 HydrophobicContact CG1-CG2 4.1Å; V148-D177 HydrophobicContact CG2-CB 4.11Å; V148-D177 PolarHBondContact N-OD2 2.62Å; V148-Y184 HydrophobicContact CB-CD2 4.48Å; V148-Y184 HydrophobicContact CB-CE2 4.34Å; V148-Y184 HydrophobicContact CG1-CD2 3.82Å; V148-Y184 HydrophobicContact CG1-CE2 4.16Å
149	S	97.8	Very high	96.7	Very high	28 Å²	28	50.9 Å²	50.9	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-40.3	175.3	69.2	0	0	0	0	113.1	S147 S152 K153 Y184 R192	S147-S149 PolarHBondContact O-N 2.92Å; S147-S149 PolarHBondContact OG-OG 3Å; S149-S152 PolarHBondContact O-OG 3.21Å; S149-K153 WeakPolarHBondContact O-CB 3.49Å; S149-K153 PolarHBondContact O-N 2.95Å; S149-K153 VanDerWaalsContact O-N 3.15Å; S149-Y184 WeakPolarHBondContact CB-OH 3.25Å; S149-R192 PolarHBondContact O-NH2 2.89Å
150	A	97.8	Very high	96.5	Very high	33 Å²	33	49.8 Å²	49.8	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-73.4	-43.8	179	0	0	0	0	0	111.2	I146 S147 V148 S152 K153 L154	I146-A150 HydrophobicContact CD1-CB 4.03Å; I146-A150 HydrophobicContact CG1-CB 3.69Å; S147-A150 PolarHBondContact O-N 2.83Å; S147-A150 VanDerWaalsContact O-N 3.13Å; S147-A150 VanDerWaalsContact OG-CB 3.29Å; S147-A150 WeakPolarHBondContact OG-CB 3.25Å; S147-A150 PolarHBondContact OG-N 3.19Å; S147-A150 VanDerWaalsContact OG-N 3.09Å; V148-A150 PolarHBondContact O-N 3.24Å; A150-S152 PolarHBondContact O-N 3.14Å; A150-K153 PolarHBondContact O-N 2.76Å; A150-K153 VanDerWaalsContact O-N 3.14Å; A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 3.49Å
151	A	98.1	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-48.5	176.8	0	0	0	0	0	112.1	L113 L131 I146 S147 K153 L154 L155	L113-A151 HydrophobicContact CD2-CB 3.69Å; L131-A151 HydrophobicContact CD1-CB 4.38Å; L131-A151 WeakPolarHBondContact CD1-O 3.44Å; I146-A151 HydrophobicContact CD1-CB 4.28Å; I146-A151 HydrophobicContact CG2-CB 4.35Å; S147-A151 PolarHBondContact O-N 3.1Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.34Å; A151-L154 PolarHBondContact O-N 3.28Å; A151-L155 PolarHBondContact O-N 2.91Å; A151-L155 VanDerWaalsContact O-N 3.1Å
152	S	97.9	Very high	95.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-34.6	175.2	53.6	0	0	0	0	112.9	V148 S149 A150 S156 R192	V148-S152 WeakPolarHBondContact O-CB 3.4Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-S152 PolarHBondContact O-OG 3.45Å; S149-S152 PolarHBondContact O-OG 3.21Å; A150-S152 PolarHBondContact O-N 3.14Å; S152-S156 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-OG 3.22Å; S152-R192 PolarHBondContact OG-NE 3.16Å; S152-R192 PolarHBondContact OG-NH2 3.32Å
153	K	98	Very high	95.2	Very high	99 Å²	99	45.5 Å²	45.5	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-70.5	-40.8	177.6	-171.1	62.7	-177.9	163.1	0	111.8	S149 A150 A151 S156 N157	S149-K153 WeakPolarHBondContact O-CB 3.49Å; S149-K153 PolarHBondContact O-N 2.95Å; S149-K153 VanDerWaalsContact O-N 3.15Å; A150-K153 PolarHBondContact O-N 2.76Å; A150-K153 VanDerWaalsContact O-N 3.14Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.34Å; K153-S156 WeakPolarHBondContact CA-OG 3.41Å; K153-S156 PolarHBondContact O-N 3.46Å; K153-S156 PolarHBondContact O-OG 2.84Å; K153-N157 WeakPolarHBondContact CE-OD1 3.49Å; K153-N157 VanDerWaalsContact O-CG 3.25Å; K153-N157 PolarHBondContact O-N 2.75Å; K153-N157 PolarHBondContact O-OD1 3.06Å
154	L	97.4	Very high	94.6	Very high	49 Å²	49	45.2 Å²	45.2	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-58.1	-48.5	173.9	-71.2	173.9	0	0	0	111.1	Y33 L131 I146 A150 A151 S156 N157 M158	Y33-L154 HydrophobicContact CE1-CD2 4.5Å; Y33-L154 WeakPolarHBondContact OH-CD2 3.3Å; L131-L154 HydrophobicContact CD1-CB 4.09Å; I146-L154 HydrophobicContact CD1-CD1 3.65Å; A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 3.49Å; A151-L154 PolarHBondContact O-N 3.28Å; L154-S156 PolarHBondContact O-N 3.33Å; L154-N157 PolarHBondContact O-N 2.71Å; L154-N157 VanDerWaalsContact O-N 3.17Å; L154-M158 WeakPolarHBondContact O-CG 3.37Å; L154-M158 PolarHBondContact O-N 3.35Å
155	L	96.9	Very high	94.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-45.8	177.4	-174.3	60.8	0	0	0	111.9	W127 L131 A151 N157 M158 M159 M169 I173 V186	W127-L155 HydrophobicContact CB-CD1 4.08Å; L131-L155 HydrophobicContact CD1-CB 4.45Å; L131-L155 HydrophobicContact CD2-CB 4.16Å; L131-L155 HydrophobicContact CD2-CD2 4.27Å; A151-L155 PolarHBondContact O-N 2.91Å; A151-L155 VanDerWaalsContact O-N 3.1Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 2.97Å; L155-M158 HydrophobicContact CD1-SD 4.33Å; L155-M158 WeakPolarHBondContact O-CB 3.47Å; L155-M158 PolarHBondContact O-N 3.44Å; L155-M158 VanDerWaalsContact O-N 3.14Å; L155-M159 HydrophobicContact CD1-CE 4.41Å; L155-M159 WeakPolarHBondContact O-CG 3.32Å; L155-M159 PolarHBondContact O-N 2.96Å; L155-M169 HydrophobicContact CD1-CE 4.16Å; L155-M169 HydrophobicContact CD2-CE 4.01Å; L155-M169 HydrophobicContact CG-CE 4.03Å; L155-I173 HydrophobicContact CD2-CD1 3.83Å; L155-I173 HydrophobicContact CD2-CG1 4.08Å; L155-V186 HydrophobicContact CB-CG1 4.45Å; L155-V186 HydrophobicContact CD2-CB 4.25Å; L155-V186 HydrophobicContact CD2-CG1 4.19Å; L155-V186 HydrophobicContact CG-CG1 4.06Å
156	S	96.9	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-36.2	177.3	69.2	0	0	0	0	112.8	S152 K153 L154 M159 L160	S152-S156 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-OG 3.22Å; K153-S156 WeakPolarHBondContact CA-OG 3.41Å; K153-S156 PolarHBondContact O-N 3.46Å; K153-S156 PolarHBondContact O-OG 2.84Å; L154-S156 PolarHBondContact O-N 3.33Å; S156-M159 PolarHBondContact O-N 3.09Å; S156-L160 VanDerWaalsContact O-CG 3.32Å; S156-L160 WeakPolarHBondContact O-CG 3.17Å; S156-L160 PolarHBondContact O-N 2.97Å
157	N	95.9	Very high	93.1	Very high	59 Å²	59	41.2 Å²	41.2	32%	0.316	23%	0.226	S	C	.	.	H	α-helix	trans	-69.7	-36.3	176.7	-70.5	-7	0	0	0	111.6	K153 L154 L155 Q161	K153-N157 WeakPolarHBondContact CE-OD1 3.49Å; K153-N157 VanDerWaalsContact O-CG 3.25Å; K153-N157 PolarHBondContact O-N 2.75Å; K153-N157 PolarHBondContact O-OD1 3.06Å; L154-N157 PolarHBondContact O-N 2.71Å; L154-N157 VanDerWaalsContact O-N 3.17Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 2.97Å; N157-Q161 WeakPolarHBondContact O-CG 3.47Å; N157-Q161 PolarHBondContact O-N 3.48Å
158	M	93.3	Very high	92.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.3	171.3	-64.4	165.7	-173.1	0	0	110.2	Y33 W127 L130 E134 L154 L155 L160 Q161 Y162	Y33-M158 HydrophobicContact CD1-CE 3.41Å; Y33-M158 VanDerWaalsContact CD1-CE 3.41Å; Y33-M158 HydrophobicContact CD1-CG 4.12Å; Y33-M158 HydrophobicContact CD1-SD 4.49Å; Y33-M158 HydrophobicContact CD2-CG 3.9Å; Y33-M158 HydrophobicContact CE1-CE 3.24Å; Y33-M158 HydrophobicContact CE1-CG 3.99Å; Y33-M158 HydrophobicContact CE1-SD 4.45Å; Y33-M158 HydrophobicContact CE2-CG 3.75Å; Y33-M158 HydrophobicContact CG-CE 4.23Å; Y33-M158 HydrophobicContact CG-CG 4.07Å; W127-M158 HydrophobicContact CE3-CB 3.95Å; W127-M158 HydrophobicContact CE3-CG 4.38Å; W127-M158 HydrophobicContact CE3-SD 4.07Å; W127-M158 HydrophobicContact CZ3-CB 3.88Å; W127-M158 HydrophobicContact CZ3-CG 4.25Å; W127-M158 HydrophobicContact CZ3-SD 4.4Å; L130-M158 HydrophobicContact CD2-CE 4.43Å; L130-M158 HydrophobicContact CD2-SD 4.16Å; L130-M158 HydrophobicContact CG-CE 4.33Å; L130-M158 HydrophobicContact CG-SD 4.47Å; E134-M158 HydrophobicContact CB-CE 4.45Å; E134-M158 HydrophobicContact CG-CE 3.84Å; L154-M158 WeakPolarHBondContact O-CG 3.37Å; L154-M158 PolarHBondContact O-N 3.35Å; L155-M158 HydrophobicContact CD1-SD 4.33Å; L155-M158 WeakPolarHBondContact O-CB 3.47Å; L155-M158 PolarHBondContact O-N 3.44Å; L155-M158 VanDerWaalsContact O-N 3.14Å; M158-L160 PolarHBondContact O-N 2.81Å; M158-Q161 WeakPolarHBondContact O-CB 3.03Å; M158-Q161 PolarHBondContact O-N 3.23Å; M158-Y162 WeakPolarHBondContact O-CD2 3.42Å
159	M	92.9	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-41.9	-179.7	-66.1	-56.8	95.4	0	0	112.5	W127 L155 S156 Q161 Y162 R163 L167 M169	W127-M159 HydrophobicContact CB-CE 3.86Å; W127-M159 HydrophobicContact CD2-CE 3.3Å; W127-M159 HydrophobicContact CE3-CE 3.81Å; W127-M159 HydrophobicContact CG-CE 3.29Å; W127-M159 HydrophobicContact CZ2-CE 4.37Å; L155-M159 HydrophobicContact CD1-CE 4.41Å; L155-M159 WeakPolarHBondContact O-CG 3.32Å; L155-M159 PolarHBondContact O-N 2.96Å; S156-M159 PolarHBondContact O-N 3.09Å; M159-Q161 PolarHBondContact O-N 3.34Å; M159-Y162 CarbonylContact O-C 3.53Å; M159-Y162 PolarHBondContact O-N 3.3Å; M159-R163 PolarHBondContact O-N 3.15Å; M159-R163 VanDerWaalsContact O-N 3.14Å; M159-L167 HydrophobicContact CE-CD1 4.25Å; M159-L167 HydrophobicContact SD-CD1 4.07Å; M159-M169 HydrophobicContact CE-CE 4.32Å; M159-M169 HydrophobicContact CG-CE 3.4Å; M159-M169 VanDerWaalsContact CG-CE 3.4Å; M159-M169 HydrophobicContact SD-CE 3.35Å; M159-M169 WeakPolarHBondContact SD-CE 3.33Å
160	L	92.1	Very high	92.4	Very high	78 Å²	78	38.5 Å²	38.5	41%	0.408	21%	0.208	S	C	.	.	H	α-helix	trans	-57.5	-32.4	177.4	-77.9	169.4	0	0	0	113.4	S156 M158 Y162 R163	S156-L160 VanDerWaalsContact O-CG 3.32Å; S156-L160 WeakPolarHBondContact O-CG 3.17Å; S156-L160 PolarHBondContact O-N 2.97Å; M158-L160 PolarHBondContact O-N 2.81Å; L160-Y162 PolarHBondContact O-N 3.31Å; L160-R163 PolarHBondContact O-N 3.22Å
161	Q	90.2	Very high	92.4	Very high	73 Å²	73	37 Å²	37	34%	0.341	20%	0.195	S	C	.	.	H	α-helix	trans	-67.4	-25.4	177.8	-69.3	176.4	3.8	0	0	112.7	N157 M158 M159	N157-Q161 WeakPolarHBondContact O-CG 3.47Å; N157-Q161 PolarHBondContact O-N 3.48Å; M158-Q161 WeakPolarHBondContact O-CB 3.03Å; M158-Q161 PolarHBondContact O-N 3.23Å; M159-Q161 PolarHBondContact O-N 3.34Å
162	Y	87	Confident	92.4	Very high	39 Å²	39	37 Å²	37	15%	0.153	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	15.5	-177.4	-67.9	-93.2	0	0	0	112.4	P40 W127 M158 M159 L160 G164 M165 L167	P40-Y162 PolarHBondContact O-OH 2.84Å; W127-Y162 AromaticContact CH2-CD2 3.73Å; W127-Y162 HydrophobicContact CH2-CD2 3.73Å; W127-Y162 AromaticContact CH2-CE2 3.38Å; W127-Y162 HydrophobicContact CH2-CE2 3.38Å; W127-Y162 AromaticContact CH2-CZ 3.98Å; W127-Y162 AromaticContact CZ2-CD2 3.79Å; W127-Y162 HydrophobicContact CZ2-CD2 3.79Å; W127-Y162 AromaticContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CE2 3.81Å; W127-Y162 HydrophobicContact CZ2-CG 4.22Å; W127-Y162 HydrophobicContact CZ3-CE2 4.46Å; M158-Y162 WeakPolarHBondContact O-CD2 3.42Å; M159-Y162 CarbonylContact O-C 3.53Å; M159-Y162 PolarHBondContact O-N 3.3Å; L160-Y162 PolarHBondContact O-N 3.31Å; Y162-G164 PolarHBondContact O-N 2.72Å; Y162-M165 HydrophobicContact CD1-CE 4.46Å; Y162-M165 HydrophobicContact CD1-SD 3.51Å; Y162-M165 VanDerWaalsContact CD1-SD 3.51Å; Y162-M165 HydrophobicContact CE1-SD 4.25Å; Y162-M165 HydrophobicContact CG-SD 4.25Å; Y162-M165 VanDerWaalsContact O-CB 3.3Å; Y162-M165 WeakPolarHBondContact O-CB 3.18Å; Y162-M165 WeakPolarHBondContact O-CG 3.4Å; Y162-M165 PolarHBondContact O-N 3.03Å; Y162-L167 VanDerWaalsContact CB-CD1 3.47Å; Y162-L167 HydrophobicContact CG-CD1 4.24Å
163	R	87	Confident	92.4	Very high	162 Å²	162	37 Å²	37	61%	0.611	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	128.8	-179.9	-174.4	179	178.7	-161	-0.7	110.5	M159 L160 M165	M159-R163 PolarHBondContact O-N 3.15Å; M159-R163 VanDerWaalsContact O-N 3.14Å; L160-R163 PolarHBondContact O-N 3.22Å; R163-M165 VanDerWaalsContact C-N 3.32Å
164	G	82.5	Confident	92.4	Very high	55 Å²	55	32.2 Å²	32.2	57%	0.567	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	6.3	-178.7	0	0	0	0	0	114.9	T51 Y162 G166	T51-G164 VanDerWaalsContact CG2-O 3.27Å; T51-G164 WeakPolarHBondContact CG2-O 3.41Å; T51-G164 PolarHBondContact OG1-O 2.97Å; Y162-G164 PolarHBondContact O-N 2.72Å; G164-G166 VanDerWaalsContact C-N 3.31Å
165	M	86.1	Confident	92.4	Very high	85 Å²	85	29.9 Å²	29.9	42%	0.419	16%	0.163	S	C	.	.	S	Bend	trans	-90.1	7	174	-57.8	-169.2	-172.3	0	0	113.7	Y162 R163	Y162-M165 HydrophobicContact CD1-CE 4.46Å; Y162-M165 HydrophobicContact CD1-SD 3.51Å; Y162-M165 VanDerWaalsContact CD1-SD 3.51Å; Y162-M165 HydrophobicContact CE1-SD 4.25Å; Y162-M165 HydrophobicContact CG-SD 4.25Å; Y162-M165 VanDerWaalsContact O-CB 3.3Å; Y162-M165 WeakPolarHBondContact O-CB 3.18Å; Y162-M165 WeakPolarHBondContact O-CG 3.4Å; Y162-M165 PolarHBondContact O-N 3.03Å; R163-M165 VanDerWaalsContact C-N 3.32Å
166	G	83.7	Confident	92.4	Very high	31 Å²	31	32.7 Å²	32.7	32%	0.32	17%	0.173	S	C	.	.			trans	79	28.7	178.4	0	0	0	0	0	114.3	M69 G164	M69-G166 WeakPolarHBondContact CE-O 3.37Å; G164-G166 VanDerWaalsContact C-N 3.31Å
167	L	88.5	Confident	92.3	Very high	34 Å²	34	34.1 Å²	34.1	18%	0.178	18%	0.181	C	C	.	.			trans	-70.1	146.9	164.8	-63.7	-176.3	0	0	0	109.9	W127 M159 Y162 D188	W127-L167 HydrophobicContact CZ2-CD1 4.49Å; M159-L167 HydrophobicContact CE-CD1 4.25Å; M159-L167 HydrophobicContact SD-CD1 4.07Å; Y162-L167 VanDerWaalsContact CB-CD1 3.47Å; Y162-L167 HydrophobicContact CG-CD1 4.24Å; L167-D188 HydrophobicContact CB-CB 4.09Å
168	S	91.4	Very high	92.2	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.035	20%	0.201	C	C	.	.			trans	-130.1	105.3	173.8	162.2	0	0	0	0	109	H71 G119 C120 D123	H71-S168 PolarHBondContact CD2-OG 3.44Å; H71-S168 PolarHBondContact NE2-OG 2.82Å; G119-S168 WeakPolarHBondContact CA-OG 3.42Å; C120-S168 WeakPolarHBondContact CB-O 3.18Å; C120-S168 PolarHBondContact N-O 2.81Å; C120-S168 PolarHBondContact N-OG 3.42Å; D123-S168 PolarHBondContact OD2-N 3.38Å
169	M	92.3	Very high	92.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-152.4	127.9	-177.6	-172.9	-88.1	-72.2	0	0	110.7	C124 L155 M159 S171 V186 D187 D188	C124-M169 HydrophobicContact CB-CG 4.44Å; C124-M169 VanDerWaalsContact SG-CG 3.59Å; L155-M169 HydrophobicContact CD1-CE 4.16Å; L155-M169 HydrophobicContact CD2-CE 4.01Å; L155-M169 HydrophobicContact CG-CE 4.03Å; M159-M169 HydrophobicContact CE-CE 4.32Å; M159-M169 HydrophobicContact CG-CE 3.4Å; M159-M169 VanDerWaalsContact CG-CE 3.4Å; M159-M169 HydrophobicContact SD-CE 3.35Å; M159-M169 WeakPolarHBondContact SD-CE 3.33Å; M169-S171 WeakPolarHBondContact SD-CB 3.29Å; M169-S171 PolarHBondContact SD-N 2.83Å; M169-V186 HydrophobicContact CE-CG1 4.3Å; M169-D187 CarbonylContact O-C 3.47Å; M169-D187 WeakPolarHBondContact O-CA 3.19Å; M169-D188 HydrophobicContact CB-CB 4.5Å; M169-D188 PolarHBondContact N-OD1 2.95Å; M169-D188 VanDerWaalsContact N-OD1 3.14Å; M169-D188 PolarHBondContact O-N 3.4Å; M169-D188 VanDerWaalsContact O-OD1 3.12Å
170	G	94.7	Very high	92.4	Very high	6 Å²	6	49 Å²	49	6%	0.062	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	82.7	172.4	0	0	0	0	0	110.4	S118 T200	S118-G170 WeakPolarHBondContact CB-O 3.48Å; S118-G170 PolarHBondContact O-N 3.06Å; G170-T200 PolarHBondContact O-OG1 3.34Å
171	S	96.7	Very high	92.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	143.2	-173.6	-174.9	0	0	0	0	112.5	T116 E128 M169 V186	T116-S171 PolarHBondContact N-OG 3.15Å; T116-S171 VanDerWaalsContact O-CA 3.25Å; T116-S171 WeakPolarHBondContact O-CA 3.45Å; T116-S171 VanDerWaalsContact O-CB 3.24Å; T116-S171 WeakPolarHBondContact O-CB 3.13Å; T116-S171 PolarHBondContact O-OG 3.2Å; E128-S171 VanDerWaalsContact OE1-CB 3.25Å; E128-S171 WeakPolarHBondContact OE1-CB 3.44Å; E128-S171 PolarHBondContact OE1-OG 3.34Å; M169-S171 WeakPolarHBondContact SD-CB 3.29Å; M169-S171 PolarHBondContact SD-N 2.83Å; S171-V186 PolarHBondContact N-O 2.72Å; S171-V186 PolarHBondContact O-N 3.15Å
172	M	98.4	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116	170.2	-64.1	176	-69.3	0	0	108.9	T75 A77 G115 T116 L183 Y184 Y185 F198 T200	T75-M172 WeakPolarHBondContact OG1-CE 3.32Å; A77-M172 HydrophobicContact CB-CE 4.18Å; A77-M172 HydrophobicContact CB-SD 3.89Å; G115-M172 WeakPolarHBondContact CA-O 3.42Å; T116-M172 HydrophobicContact CG2-CB 4.16Å; T116-M172 HydrophobicContact CG2-CE 3.83Å; T116-M172 PolarHBondContact N-O 3.3Å; T116-M172 WeakPolarHBondContact OG1-CB 3.5Å; T116-M172 WeakPolarHBondContact OG1-CE 3.32Å; T116-M172 PolarHBondContact OG1-N 3.01Å; M172-L183 HydrophobicContact CB-CD1 4.24Å; M172-Y184 CarbonylContact C-O 3.55Å; M172-Y184 VanDerWaalsContact CA-O 3.29Å; M172-Y184 WeakPolarHBondContact CA-O 3.38Å; M172-Y185 HydrophobicContact CG-CD2 4.36Å; M172-F198 HydrophobicContact CG-CB 4.16Å; M172-F198 HydrophobicContact SD-CB 3.41Å; M172-F198 WeakPolarHBondContact SD-CB 3.25Å; M172-T200 HydrophobicContact CE-CG2 4.32Å; M172-T200 HydrophobicContact CG-CG2 4.03Å; M172-T200 HydrophobicContact SD-CG2 4.09Å
173	I	98.4	Very high	93.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.9	174.7	-54.8	-55.8	0	0	0	108.7	I109 L113 L131 V148 L155 Y184 V186	I109-I173 HydrophobicContact CD1-CD1 4.01Å; L113-I173 HydrophobicContact CD1-CG2 3.8Å; L113-I173 HydrophobicContact CD2-CG2 4.21Å; L113-I173 HydrophobicContact CG-CG2 4.11Å; L131-I173 HydrophobicContact CD2-CD1 4.05Å; V148-I173 HydrophobicContact CG1-CG2 4.1Å; L155-I173 HydrophobicContact CD2-CD1 3.83Å; L155-I173 HydrophobicContact CD2-CG1 4.08Å; I173-Y184 PolarHBondContact N-O 3.42Å; I173-Y184 PolarHBondContact O-N 3.13Å; I173-V186 HydrophobicContact CG1-CG2 4.44Å
174	C	98.1	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.6	-177.4	168.5	0	0	0	0	110	V84 V86 L113 L114 G182 L183	V84-C174 VanDerWaalsContact CB-SG 3.52Å; V84-C174 VanDerWaalsContact CG1-SG 3.56Å; V86-C174 HydrophobicContact CG2-CB 3.89Å; L113-C174 CarbonylContact C-O 3.6Å; L113-C174 WeakPolarHBondContact CA-O 3.3Å; L114-C174 HydrophobicContact CB-CB 4.45Å; L114-C174 PolarHBondContact N-O 2.92Å; L114-C174 PolarHBondContact O-N 2.87Å; C174-G182 WeakPolarHBondContact CA-O 3.47Å; C174-L183 HydrophobicContact CB-CD1 4.15Å
175	G	97.9	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	179.2	175.7	0	0	0	0	0	113.5	Y112 G182	Y112-G175 VanDerWaalsContact O-CA 3.23Å; Y112-G175 WeakPolarHBondContact O-CA 3.38Å; G175-G182 PolarHBondContact N-O 3.24Å; G175-G182 PolarHBondContact O-N 2.73Å
176	W	97.1	Very high	95.5	Very high	59 Å²	59	31.9 Å²	31.9	22%	0.223	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.6	170.9	-159.6	-61.1	0	0	0	109.9	G83 Y112 P181 M251 K253	G83-W176 VanDerWaalsContact CA-CZ3 3.43Å; Y112-W176 PolarHBondContact O-N 3.13Å; W176-P181 HydrophobicContact CE3-CB 4.16Å; W176-P181 HydrophobicContact CH2-CG 4.5Å; W176-P181 HydrophobicContact CZ3-CB 4.33Å; W176-M251 HydrophobicContact CB-CG 4.37Å; W176-K253 VanDerWaalsContact CD2-CA 3.49Å; W176-K253 HydrophobicContact CD2-CB 4.01Å; W176-K253 HydrophobicContact CE3-CB 4.38Å; W176-K253 HydrophobicContact CG-CB 4.46Å; W176-K253 HydrophobicContact CH2-CB 4.33Å; W176-K253 HydrophobicContact CZ2-CB 3.98Å; W176-K253 HydrophobicContact CZ2-CG 4.36Å; W176-K253 HydrophobicContact CZ3-CB 4.48Å
177	D	94.8	Very high	96	Very high	30 Å²	30	31.2 Å²	31.2	16%	0.16	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-170.2	177.2	71	25.3	0	0	0	112.3	S147 V148 K179 G180	S147-D177 WeakPolarHBondContact CB-OD2 3.39Å; V148-D177 HydrophobicContact CG2-CB 4.11Å; V148-D177 PolarHBondContact N-OD2 2.62Å; D177-K179 PolarHBondContact O-N 2.97Å; D177-K179 VanDerWaalsContact O-N 3.17Å; D177-K179 WeakPolarHBondContact OD1-CA 3.14Å; D177-K179 WeakPolarHBondContact OD1-CB 3.21Å; D177-K179 PolarHBondContact OD1-N 3.35Å; D177-G180 PolarHBondContact N-O 2.86Å; D177-G180 PolarHBondContact O-N 2.94Å
178	K	94.1	Very high	96.2	Very high	170 Å²	170	31.3 Å²	31.3	74%	0.739	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.6	179.4	-69.8	176.4	171	171.9	0	113.3	E144 G180	E144-K178 WeakPolarHBondContact OE1-CE 3.46Å; E144-K178 IonicContact OE1-NZ 2.87Å; E144-K178 PolarHBondContact OE1-NZ 2.89Å; E144-K178 IonicContact OE2-NZ 3.86Å; E144-K178 PolarHBondContact OE2-NZ 3.34Å; K178-G180 VanDerWaalsContact C-N 3.33Å
179	K	94.1	Very high	96.2	Very high	188 Å²	188	34.8 Å²	34.8	82%	0.817	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.5	177.4	-61.9	-178.5	177.2	179.6	0	112.7	D177	D177-K179 PolarHBondContact O-N 2.97Å; D177-K179 VanDerWaalsContact O-N 3.17Å; D177-K179 WeakPolarHBondContact OD1-CA 3.14Å; D177-K179 WeakPolarHBondContact OD1-CB 3.21Å; D177-K179 PolarHBondContact OD1-N 3.35Å
180	G	95.8	Very high	96.1	Very high	12 Å²	12	35.4 Å²	35.4	12%	0.124	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.9	-154.3	-178.2	0	0	0	0	0	112.8	D177 K178 G182	D177-G180 PolarHBondContact N-O 2.86Å; D177-G180 PolarHBondContact O-N 2.94Å; K178-G180 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 3.41Å
181	P	97.4	Very high	96.2	Very high	32 Å²	32	37.6 Å²	37.6	21%	0.208	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.7	178.5	25.3	-31.6	0	0	0	110.9	K79 V84 W176	K79-P181 VanDerWaalsContact CE-O 3.24Å; K79-P181 WeakPolarHBondContact CE-O 3.28Å; K79-P181 PolarHBondContact NZ-O 3.21Å; V84-P181 HydrophobicContact CG2-CB 3.58Å; W176-P181 HydrophobicContact CE3-CB 4.16Å; W176-P181 HydrophobicContact CH2-CG 4.5Å; W176-P181 HydrophobicContact CZ3-CB 4.33Å
182	G	97.9	Very high	96.3	Very high	9 Å²	9	41 Å²	41	9%	0.093	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136	177.7	0	0	0	0	0	111.3	C174 G175 G180	C174-G182 WeakPolarHBondContact CA-O 3.47Å; G175-G182 PolarHBondContact N-O 3.24Å; G175-G182 PolarHBondContact O-N 2.73Å; G180-G182 PolarHBondContact O-N 3.41Å
183	L	98.6	Very high	96.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.8	175.4	178.5	63	0	0	0	109.3	A77 K79 V84 M172 C174 G195 F198	A77-L183 HydrophobicContact CB-CD1 3.72Å; A77-L183 HydrophobicContact CB-CD2 4.08Å; K79-L183 HydrophobicContact CD-CB 3.95Å; K79-L183 HydrophobicContact CG-CB 3.94Å; K79-L183 HydrophobicContact CG-CD2 4.29Å; V84-L183 HydrophobicContact CG1-CD2 4.46Å; M172-L183 HydrophobicContact CB-CD1 4.24Å; C174-L183 HydrophobicContact CB-CD1 4.15Å; L183-G195 PolarHBondContact O-N 3.16Å; L183-F198 HydrophobicContact CD2-CD2 3.94Å; L183-F198 HydrophobicContact CG-CD2 3.88Å; L183-F198 HydrophobicContact CG-CE2 4.27Å
184	Y	98.7	Very high	96.3	Very high	36 Å²	36	49.1 Å²	49.1	14%	0.141	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.8	-179.6	-70.2	-90.4	0	0	0	111.3	V148 S149 M172 I173 R192 L193 S194	V148-Y184 HydrophobicContact CB-CD2 4.48Å; V148-Y184 HydrophobicContact CB-CE2 4.34Å; V148-Y184 HydrophobicContact CG1-CD2 3.82Å; V148-Y184 HydrophobicContact CG1-CE2 4.16Å; S149-Y184 WeakPolarHBondContact CB-OH 3.25Å; M172-Y184 CarbonylContact C-O 3.55Å; M172-Y184 VanDerWaalsContact CA-O 3.29Å; M172-Y184 WeakPolarHBondContact CA-O 3.38Å; I173-Y184 PolarHBondContact N-O 3.42Å; I173-Y184 PolarHBondContact O-N 3.13Å; Y184-R192 HydrophobicContact CD1-CG 4.47Å; Y184-L193 CarbonylContact C-O 3.21Å; Y184-L193 WeakPolarHBondContact CA-O 3.1Å; Y184-S194 VanDerWaalsContact CE1-CB 3.45Å
185	Y	98.5	Very high	96.2	Very high	55 Å²	55	50 Å²	50	22%	0.216	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.6	166.5	172.7	-105.3	0	0	0	109.8	M172 D187 R192 L193 T200	M172-Y185 HydrophobicContact CG-CD2 4.36Å; Y185-D187 HydrophobicContact CE1-CB 4Å; Y185-R192 CarbonylContact O-C 3.55Å; Y185-R192 VanDerWaalsContact O-CA 3.32Å; Y185-R192 WeakPolarHBondContact O-CA 3.38Å; Y185-L193 HydrophobicContact CD1-CD1 4.26Å; Y185-L193 PolarHBondContact N-O 3.31Å; Y185-L193 PolarHBondContact O-N 2.83Å; Y185-T200 HydrophobicContact CD2-CG2 3.64Å; Y185-T200 HydrophobicContact CE2-CG2 3.44Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.44Å
186	V	98.1	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.2	175.9	-177	0	0	0	0	109.2	L155 M169 S171 I173 T191 R192	L155-V186 HydrophobicContact CB-CG1 4.45Å; L155-V186 HydrophobicContact CD2-CB 4.25Å; L155-V186 HydrophobicContact CD2-CG1 4.19Å; L155-V186 HydrophobicContact CG-CG1 4.06Å; M169-V186 HydrophobicContact CE-CG1 4.3Å; S171-V186 PolarHBondContact N-O 2.72Å; S171-V186 PolarHBondContact O-N 3.15Å; I173-V186 HydrophobicContact CG1-CG2 4.44Å; V186-T191 VanDerWaalsContact CA-O 3.32Å; V186-T191 WeakPolarHBondContact CA-O 3.3Å; V186-R192 HydrophobicContact CG2-CG 4.31Å
187	D	95.4	Very high	96.2	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	170.7	175.8	74.4	11.9	0	0	0	113.7	M169 Y185 N189 G190 T191	M169-D187 CarbonylContact O-C 3.47Å; M169-D187 WeakPolarHBondContact O-CA 3.19Å; Y185-D187 HydrophobicContact CE1-CB 4Å; D187-N189 PolarHBondContact O-N 3.33Å; D187-N189 WeakPolarHBondContact OD1-CA 3.48Å; D187-N189 WeakPolarHBondContact OD1-CB 3.35Å; D187-N189 PolarHBondContact OD1-N 3.02Å; D187-G190 PolarHBondContact O-N 3.22Å; D187-G190 PolarHBondContact OD1-N 3.33Å; D187-T191 VanDerWaalsContact CG-OG1 3.26Å; D187-T191 PolarHBondContact N-O 3.3Å; D187-T191 WeakPolarHBondContact OD1-CA 3.45Å; D187-T191 WeakPolarHBondContact OD1-CB 3.46Å; D187-T191 PolarHBondContact OD1-N 3.32Å; D187-T191 PolarHBondContact OD1-OG1 3.19Å; D187-T191 VanDerWaalsContact OD1-OG1 3.07Å; D187-T191 WeakPolarHBondContact OD2-CB 3.45Å; D187-T191 PolarHBondContact OD2-OG1 3.43Å
188	D	92.6	Very high	96.4	Very high	36 Å²	36	53 Å²	53	19%	0.193	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.6	175.5	55.3	-93	0	0	0	114.2	L167 M169 G190	L167-D188 HydrophobicContact CB-CB 4.09Å; M169-D188 HydrophobicContact CB-CB 4.5Å; M169-D188 PolarHBondContact N-OD1 2.95Å; M169-D188 VanDerWaalsContact N-OD1 3.14Å; M169-D188 PolarHBondContact O-N 3.4Å; M169-D188 VanDerWaalsContact O-OD1 3.12Å; D188-G190 PolarHBondContact O-N 3.24Å
189	N	91.6	Very high	96.6	Very high	78 Å²	78	45.1 Å²	45.1	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.6	172.6	-73.4	-61.6	0	0	0	113	D187 T191	D187-N189 PolarHBondContact O-N 3.33Å; D187-N189 WeakPolarHBondContact OD1-CA 3.48Å; D187-N189 WeakPolarHBondContact OD1-CB 3.35Å; D187-N189 PolarHBondContact OD1-N 3.02Å; N189-T191 VanDerWaalsContact C-N 3.34Å
190	G	90	Very high	96.7	Very high	14 Å²	14	36.5 Å²	36.5	14%	0.144	20%	0.202	C	C	.	.			trans	83.5	9.3	-175.8	0	0	0	0	0	114	D187 D188	D187-G190 PolarHBondContact O-N 3.22Å; D187-G190 PolarHBondContact OD1-N 3.33Å; D188-G190 PolarHBondContact O-N 3.24Å
191	T	96.8	Very high	96.6	Very high	52 Å²	52	36.7 Å²	36.7	32%	0.319	20%	0.203	S	C	.	.			trans	-58.4	137.6	170	-53.9	0	0	0	0	108.7	V186 D187 N189 L193	V186-T191 VanDerWaalsContact CA-O 3.32Å; V186-T191 WeakPolarHBondContact CA-O 3.3Å; D187-T191 VanDerWaalsContact CG-OG1 3.26Å; D187-T191 PolarHBondContact N-O 3.3Å; D187-T191 WeakPolarHBondContact OD1-CA 3.45Å; D187-T191 WeakPolarHBondContact OD1-CB 3.46Å; D187-T191 PolarHBondContact OD1-N 3.32Å; D187-T191 PolarHBondContact OD1-OG1 3.19Å; D187-T191 VanDerWaalsContact OD1-OG1 3.07Å; D187-T191 WeakPolarHBondContact OD2-CB 3.45Å; D187-T191 PolarHBondContact OD2-OG1 3.43Å; N189-T191 VanDerWaalsContact C-N 3.34Å; T191-L193 HydrophobicContact CG2-CD1 4Å; T191-L193 HydrophobicContact CG2-CD2 4.28Å; T191-L193 HydrophobicContact CG2-CG 3.81Å
192	R	98	Very high	96.4	Very high	72 Å²	72	37 Å²	37	27%	0.272	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	109.1	176.7	-178.7	-177.5	169.2	-76.8	1	110.4	S149 S152 Y184 Y185 V186	S149-R192 PolarHBondContact O-NH2 2.89Å; S152-R192 PolarHBondContact OG-NE 3.16Å; S152-R192 PolarHBondContact OG-NH2 3.32Å; Y184-R192 HydrophobicContact CD1-CG 4.47Å; Y185-R192 CarbonylContact O-C 3.55Å; Y185-R192 VanDerWaalsContact O-CA 3.32Å; Y185-R192 WeakPolarHBondContact O-CA 3.38Å; V186-R192 HydrophobicContact CG2-CG 4.31Å
193	L	98.3	Very high	96.3	Very high	87 Å²	87	36.5 Å²	36.5	46%	0.455	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.8	-175.3	-58.3	174.5	0	0	0	110.6	Y184 Y185 T191 F198	Y184-L193 CarbonylContact C-O 3.21Å; Y184-L193 WeakPolarHBondContact CA-O 3.1Å; Y185-L193 HydrophobicContact CD1-CD1 4.26Å; Y185-L193 PolarHBondContact N-O 3.31Å; Y185-L193 PolarHBondContact O-N 2.83Å; T191-L193 HydrophobicContact CG2-CD1 4Å; T191-L193 HydrophobicContact CG2-CD2 4.28Å; T191-L193 HydrophobicContact CG2-CG 3.81Å; L193-F198 HydrophobicContact CB-CE1 4.34Å; L193-F198 HydrophobicContact CB-CZ 3.98Å
194	S	98.1	Very high	96.2	Very high	83 Å²	83	38.8 Å²	38.8	58%	0.58	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	136.3	166.9	-164.9	0	0	0	0	108.3	Y184	Y184-S194 VanDerWaalsContact CE1-CB 3.45Å
195	G	96.3	Very high	96.1	Very high	18 Å²	18	41.3 Å²	41.3	19%	0.186	23%	0.233	C	C	.	.			trans	-154.2	169.1	-178.6	0	0	0	0	0	112.9	L183	L183-G195 PolarHBondContact O-N 3.16Å
196	Q	97.1	Very high	96	Very high	93 Å²	93	43.7 Å²	43.7	44%	0.435	24%	0.242	S	C	.	.	S	Bend	trans	-83.3	-26	171.9	-63.4	-61.7	-22.5	0	0	111.6	F78 K79	F78-Q196 CarbonylContact C-O 3.59Å; F78-Q196 VanDerWaalsContact CA-O 3.27Å; F78-Q196 WeakPolarHBondContact CA-O 3.31Å; K79-Q196 VanDerWaalsContact CE-OE1 3.28Å; K79-Q196 PolarHBondContact N-O 2.93Å
197	M	98	Very high	96	Very high	33 Å²	33	43.7 Å²	43.7	16%	0.163	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	140.7	-171.6	175.7	172.5	79.6	0	0	109.8	A77 F78 Y208 M211 D212	A77-M197 CarbonylContact O-C 3.59Å; A77-M197 VanDerWaalsContact O-CA 3.29Å; A77-M197 WeakPolarHBondContact O-CA 3.42Å; F78-M197 HydrophobicContact CB-CB 3.89Å; F78-M197 HydrophobicContact CB-CG 3.87Å; F78-M197 HydrophobicContact CB-SD 4.35Å; M197-Y208 HydrophobicContact CE-CD1 4.24Å; M197-Y208 HydrophobicContact CE-CE1 4.34Å; M197-M211 HydrophobicContact CE-CE 4.15Å; M197-M211 HydrophobicContact CG-CE 3.29Å; M197-M211 HydrophobicContact CG-CG 4.3Å; M197-M211 HydrophobicContact CG-SD 3.5Å; M197-M211 VanDerWaalsContact CG-SD 3.5Å; M197-M211 HydrophobicContact SD-CB 4.32Å; M197-M211 HydrophobicContact SD-CE 3.42Å; M197-M211 WeakPolarHBondContact SD-CE 3.35Å; M197-M211 HydrophobicContact SD-CG 3.39Å; M197-M211 WeakPolarHBondContact SD-CG 3.42Å; M197-M211 HydrophobicContact SD-SD 3.44Å; M197-D212 WeakPolarHBondContact CE-OD1 3.24Å
198	F	98.6	Very high	96.2	Very high	26 Å²	26	46 Å²	46	11%	0.114	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.9	176.1	-67.5	-64.3	0	0	0	110.3	L76 A77 M172 L183 L193 Y208	L76-F198 CarbonylContact C-O 3.44Å; L76-F198 WeakPolarHBondContact CA-O 3.25Å; A77-F198 PolarHBondContact N-O 3.12Å; A77-F198 PolarHBondContact O-N 3.05Å; M172-F198 HydrophobicContact CG-CB 4.16Å; M172-F198 HydrophobicContact SD-CB 3.41Å; M172-F198 WeakPolarHBondContact SD-CB 3.25Å; L183-F198 HydrophobicContact CD2-CD2 3.94Å; L183-F198 HydrophobicContact CG-CD2 3.88Å; L183-F198 HydrophobicContact CG-CE2 4.27Å; L193-F198 HydrophobicContact CB-CE1 4.34Å; L193-F198 HydrophobicContact CB-CZ 3.98Å; F198-Y208 WeakPolarHBondContact CA-OH 3.19Å
199	S	97.9	Very high	96.4	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.1	164.9	-176.3	0	0	0	0	110.1	T75 N204 A207 Y208	T75-S199 CarbonylContact O-C 3.58Å; T75-S199 WeakPolarHBondContact O-CA 3.37Å; T75-S199 WeakPolarHBondContact O-CB 3.31Å; T75-S199 PolarHBondContact O-OG 3.42Å; S199-N204 WeakPolarHBondContact OG-CA 3.24Å; S199-A207 WeakPolarHBondContact OG-CB 3.38Å; S199-Y208 VanDerWaalsContact N-CZ 3.29Å; S199-Y208 PolarHBondContact N-OH 3.32Å
200	T	96.5	Very high	96.7	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159.5	-176	80.8	0	0	0	0	111.3	T75 S118 G170 M172 Y185	T75-T200 PolarHBondContact N-O 3.4Å; T75-T200 PolarHBondContact O-N 3.47Å; T75-T200 PolarHBondContact OG1-OG1 2.95Å; S118-T200 WeakPolarHBondContact CB-OG1 3.25Å; S118-T200 PolarHBondContact OG-OG1 3.17Å; G170-T200 PolarHBondContact O-OG1 3.34Å; M172-T200 HydrophobicContact CE-CG2 4.32Å; M172-T200 HydrophobicContact CG-CG2 4.03Å; M172-T200 HydrophobicContact SD-CG2 4.09Å; Y185-T200 HydrophobicContact CD2-CG2 3.64Å; Y185-T200 HydrophobicContact CE2-CG2 3.44Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.44Å
201	G	94.2	Very high	97.1	Very high	15 Å²	15	43.9 Å²	43.9	16%	0.155	25%	0.249	C	C	.	.	S	Bend	trans	94.1	179.3	-177.1	0	0	0	0	0	113.5	T73 S118 G203 N204	T73-G201 CarbonylContact O-C 3.5Å; T73-G201 WeakPolarHBondContact O-CA 3.16Å; S118-G201 VanDerWaalsContact OG-CA 3.23Å; S118-G201 WeakPolarHBondContact OG-CA 3.31Å; S118-G201 PolarHBondContact OG-N 2.97Å; G201-G203 VanDerWaalsContact C-N 3.3Å; G201-G203 PolarHBondContact O-N 2.97Å; G201-N204 VanDerWaalsContact O-CB 3.31Å; G201-N204 WeakPolarHBondContact O-CB 3.44Å; G201-N204 VanDerWaalsContact O-CG 3.25Å; G201-N204 PolarHBondContact O-N 3.45Å; G201-N204 PolarHBondContact O-OD1 3.45Å
202	S	93.7	Very high	97.1	Very high	38 Å²	38	46 Å²	46	27%	0.266	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.7	-177.2	50.8	0	0	0	0	114.7	H71 G72 T73 D239	H71-S202 VanDerWaalsContact O-CB 3.24Å; H71-S202 WeakPolarHBondContact O-CB 3.41Å; H71-S202 PolarHBondContact O-N 2.98Å; H71-S202 PolarHBondContact O-OG 3.14Å; H71-S202 VanDerWaalsContact O-OG 3.1Å; G72-S202 WeakPolarHBondContact CA-OG 3.12Å; T73-S202 PolarHBondContact N-OG 2.82Å; T73-S202 PolarHBondContact O-N 3.1Å; T73-S202 PolarHBondContact O-OG 3.47Å; S202-D239 WeakPolarHBondContact CB-OD2 3.47Å; S202-D239 PolarHBondContact OG-OD2 2.83Å
203	G	95.3	Very high	97.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	11.7	-178.8	0	0	0	0	0	114.9	T73 T74 G201 T205 Y206 A207 D239	T73-G203 PolarHBondContact O-N 3.36Å; T74-G203 VanDerWaalsContact OG1-CA 3.24Å; T74-G203 WeakPolarHBondContact OG1-CA 3.38Å; G201-G203 VanDerWaalsContact C-N 3.3Å; G201-G203 PolarHBondContact O-N 2.97Å; G203-T205 VanDerWaalsContact C-N 3.35Å; G203-T205 PolarHBondContact O-N 2.76Å; G203-Y206 PolarHBondContact O-N 3.07Å; G203-A207 PolarHBondContact O-N 3.02Å; G203-D239 PolarHBondContact N-OD2 3.23Å
204	N	95.8	Very high	96.9	Very high	49 Å²	49	44.3 Å²	44.3	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-39.2	-173.2	70.8	-21.7	0	0	0	114	S199 G201 Y206 A207 Y208	S199-N204 WeakPolarHBondContact OG-CA 3.24Å; G201-N204 VanDerWaalsContact O-CB 3.31Å; G201-N204 WeakPolarHBondContact O-CB 3.44Å; G201-N204 VanDerWaalsContact O-CG 3.25Å; G201-N204 PolarHBondContact O-N 3.45Å; G201-N204 PolarHBondContact O-OD1 3.45Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 2.76Å; N204-A207 PolarHBondContact O-N 3.44Å; N204-Y208 WeakPolarHBondContact O-CD2 3.24Å; N204-Y208 PolarHBondContact O-N 2.96Å
205	T	96.9	Very high	96.9	Very high	89 Å²	89	42.8 Å²	42.8	55%	0.546	25%	0.25	S	S	.	.	H	α-helix	trans	-64.2	-39.5	-178.5	53.2	0	0	0	0	111.9	G203 G209	G203-T205 VanDerWaalsContact C-N 3.35Å; G203-T205 PolarHBondContact O-N 2.76Å; T205-G209 PolarHBondContact O-N 2.6Å
206	Y	97.8	Very high	97	Very high	105 Å²	105	47.1 Å²	47.1	41%	0.412	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-40.4	175.6	-54	-63.2	0	0	0	111.6	G203 N204 G209 V210 R238 D239	G203-Y206 PolarHBondContact O-N 3.07Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 2.76Å; Y206-G209 PolarHBondContact O-N 3.35Å; Y206-V210 PolarHBondContact O-N 3.22Å; Y206-R238 HydrophobicContact CD1-CB 3.78Å; Y206-R238 HydrophobicContact CD1-CG 4.14Å; Y206-R238 HydrophobicContact CD2-CB 4Å; Y206-R238 HydrophobicContact CE1-CB 3.7Å; Y206-R238 HydrophobicContact CE1-CG 4.22Å; Y206-R238 HydrophobicContact CE2-CB 3.94Å; Y206-R238 HydrophobicContact CG-CB 3.94Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.97Å
207	A	97.9	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-45.5	176.7	0	0	0	0	0	111.4	T74 L76 S199 G203 N204 G209 V210 M211 A235	T74-A207 HydrophobicContact CG2-CB 3.89Å; L76-A207 HydrophobicContact CD2-CB 4.08Å; S199-A207 WeakPolarHBondContact OG-CB 3.38Å; G203-A207 PolarHBondContact O-N 3.02Å; N204-A207 PolarHBondContact O-N 3.44Å; A207-G209 PolarHBondContact O-N 2.78Å; A207-V210 PolarHBondContact O-N 2.83Å; A207-M211 WeakPolarHBondContact O-CB 3.31Å; A207-M211 PolarHBondContact O-N 2.69Å; A207-A235 HydrophobicContact CB-CB 4.26Å
208	Y	98.4	Very high	96.8	Very high	65 Å²	65	52.5 Å²	52.5	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-55.9	-47.7	174.6	-82.6	-63.1	0	0	0	111.9	M197 F198 S199 N204 V210 M211 D212	M197-Y208 HydrophobicContact CE-CD1 4.24Å; M197-Y208 HydrophobicContact CE-CE1 4.34Å; F198-Y208 WeakPolarHBondContact CA-OH 3.19Å; S199-Y208 VanDerWaalsContact N-CZ 3.29Å; S199-Y208 PolarHBondContact N-OH 3.32Å; N204-Y208 WeakPolarHBondContact O-CD2 3.24Å; N204-Y208 PolarHBondContact O-N 2.96Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 2.98Å; Y208-M211 HydrophobicContact CD1-CE 3.68Å; Y208-M211 HydrophobicContact CE1-CE 3.93Å; Y208-M211 HydrophobicContact CG-CE 4.44Å; Y208-M211 PolarHBondContact O-N 2.82Å; Y208-M211 VanDerWaalsContact O-N 3.14Å; Y208-D212 VanDerWaalsContact O-CB 3.28Å; Y208-D212 WeakPolarHBondContact O-CB 3.14Å; Y208-D212 PolarHBondContact O-N 3.4Å
209	G	98.1	Very high	96.7	Very high	51 Å²	51	51.4 Å²	51.4	53%	0.526	28%	0.284	S	S	.	.	H	α-helix	trans	-55.4	-41.3	-178.4	0	0	0	0	0	114.1	T205 Y206 A207	T205-G209 PolarHBondContact O-N 2.6Å; Y206-G209 PolarHBondContact O-N 3.35Å; A207-G209 PolarHBondContact O-N 2.78Å
210	V	97.8	Very high	96.7	Very high	32 Å²	32	53.2 Å²	53.2	19%	0.194	30%	0.297	C	S	.	.	H	α-helix	trans	-76.1	-45.2	176.4	179	0	0	0	0	111.1	Y206 A207 Y208 S213 G214 R230 A231 Y234	Y206-V210 PolarHBondContact O-N 3.22Å; A207-V210 PolarHBondContact O-N 2.83Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 2.98Å; V210-S213 PolarHBondContact O-N 2.92Å; V210-S213 PolarHBondContact O-OG 3.21Å; V210-G214 PolarHBondContact O-N 3.1Å; V210-R230 HydrophobicContact CG1-CB 4.24Å; V210-A231 HydrophobicContact CB-CB 4.1Å; V210-A231 HydrophobicContact CG1-CB 4.07Å; V210-Y234 HydrophobicContact CG1-CD2 4.29Å; V210-Y234 HydrophobicContact CG2-CD2 3.96Å; V210-Y234 HydrophobicContact CG2-CG 4.31Å
211	M	97.3	Very high	96.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-48.3	-175.6	-168.4	173.1	45.6	0	0	111.7	L76 F78 M197 A207 Y208 S213 G214 Y215 A231	L76-M211 HydrophobicContact CB-CE 4.43Å; L76-M211 HydrophobicContact CB-SD 4.21Å; L76-M211 HydrophobicContact CD1-SD 4.08Å; L76-M211 HydrophobicContact CD2-SD 4.48Å; L76-M211 HydrophobicContact CG-SD 4.5Å; F78-M211 HydrophobicContact CB-SD 4.39Å; F78-M211 HydrophobicContact CD1-CG 4.21Å; F78-M211 HydrophobicContact CD1-SD 3.69Å; F78-M211 HydrophobicContact CE1-SD 4.44Å; F78-M211 HydrophobicContact CG-SD 4.43Å; M197-M211 HydrophobicContact CE-CE 4.15Å; M197-M211 HydrophobicContact CG-CE 3.29Å; M197-M211 HydrophobicContact CG-CG 4.3Å; M197-M211 HydrophobicContact CG-SD 3.5Å; M197-M211 VanDerWaalsContact CG-SD 3.5Å; M197-M211 HydrophobicContact SD-CB 4.32Å; M197-M211 HydrophobicContact SD-CE 3.42Å; M197-M211 WeakPolarHBondContact SD-CE 3.35Å; M197-M211 HydrophobicContact SD-CG 3.39Å; M197-M211 WeakPolarHBondContact SD-CG 3.42Å; M197-M211 HydrophobicContact SD-SD 3.44Å; A207-M211 WeakPolarHBondContact O-CB 3.31Å; A207-M211 PolarHBondContact O-N 2.69Å; Y208-M211 HydrophobicContact CD1-CE 3.68Å; Y208-M211 HydrophobicContact CE1-CE 3.93Å; Y208-M211 HydrophobicContact CG-CE 4.44Å; Y208-M211 PolarHBondContact O-N 2.82Å; Y208-M211 VanDerWaalsContact O-N 3.14Å; M211-S213 VanDerWaalsContact C-N 3.25Å; M211-S213 PolarHBondContact O-N 3.31Å; M211-G214 PolarHBondContact O-N 3.36Å; M211-Y215 WeakPolarHBondContact O-CB 3.23Å; M211-Y215 PolarHBondContact O-N 2.57Å; M211-A231 HydrophobicContact CB-CB 4.36Å
212	D	97.9	Very high	96.9	Very high	96 Å²	96	60.4 Å²	60.4	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-34	177.3	-76.9	-46.5	0	0	0	112.4	M197 Y208	M197-D212 WeakPolarHBondContact CE-OD1 3.24Å; Y208-D212 VanDerWaalsContact O-CB 3.28Å; Y208-D212 WeakPolarHBondContact O-CB 3.14Å; Y208-D212 PolarHBondContact O-N 3.4Å
213	S	97.3	Very high	97.1	Very high	100 Å²	100	62.5 Å²	62.5	70%	0.699	34%	0.335	S	S	*	.	H	α-helix	trans	-71.8	-29.2	-178.5	75	0	0	0	0	113.9	V210 M211	V210-S213 PolarHBondContact O-N 2.92Å; V210-S213 PolarHBondContact O-OG 3.21Å; M211-S213 VanDerWaalsContact C-N 3.25Å; M211-S213 PolarHBondContact O-N 3.31Å
214	G	94.9	Very high	97.3	Very high	24 Å²	24	62.5 Å²	62.5	25%	0.247	34%	0.335	C	S	.	.	H	α-helix	trans	-112.5	-8.5	-174.2	0	0	0	0	0	114.8	V210 M211	V210-G214 PolarHBondContact O-N 3.1Å; M211-G214 PolarHBondContact O-N 3.36Å
215	Y	97.7	Very high	97.4	Very high	52 Å²	52	61.2 Å²	61.2	20%	0.204	33%	0.327	C	S	.	.			trans	-70.3	130.8	-173.9	176	-102.1	0	0	0	112.6	F78 K79 M211 Q217 L219	F78-Y215 HydrophobicContact CB-CE2 4.26Å; F78-Y215 AromaticContact CD2-CD2 3.92Å; F78-Y215 HydrophobicContact CD2-CD2 3.92Å; F78-Y215 AromaticContact CD2-CE2 3.76Å; F78-Y215 HydrophobicContact CD2-CE2 3.76Å; F78-Y215 HydrophobicContact CE2-CD2 4.44Å; F78-Y215 HydrophobicContact CG-CD2 4.31Å; F78-Y215 HydrophobicContact CG-CE2 4.3Å; K79-Y215 VanDerWaalsContact O-CE2 3.25Å; K79-Y215 WeakPolarHBondContact O-CE2 3.38Å; K79-Y215 PolarHBondContact O-OH 2.88Å; M211-Y215 WeakPolarHBondContact O-CB 3.23Å; M211-Y215 PolarHBondContact O-N 2.57Å; Y215-Q217 HydrophobicContact CE1-CG 4.42Å; Y215-L219 HydrophobicContact CD2-CD1 4.46Å
216	R	96.9	Very high	97.5	Very high	109 Å²	109	59.1 Å²	59.1	41%	0.411	31%	0.312	S	S	.	.			trans	-139.3	150.4	167.2	-49.6	-173.8	-61.3	-83.8	3.4	109.3	D218 L219 E223	R216-D218 VanDerWaalsContact C-N 3.27Å; R216-D218 WeakPolarHBondContact CB-OD1 3.33Å; R216-D218 IonicContact NE-OD1 3.81Å; R216-D218 PolarHBondContact O-N 2.62Å; R216-L219 HydrophobicContact CB-CD2 4.43Å; R216-L219 HydrophobicContact CB-CG 4.11Å; R216-L219 VanDerWaalsContact O-CD1 3.3Å; R216-L219 WeakPolarHBondContact O-CD1 3.19Å; R216-L219 VanDerWaalsContact O-CG 3.22Å; R216-L219 WeakPolarHBondContact O-CG 3.38Å; R216-E223 IonicContact NH2-OE1 3.61Å; R216-E223 PolarHBondContact NH2-OE1 3.26Å; R216-E223 IonicContact NH2-OE2 3.17Å
217	Q	94.5	Very high	97.5	Very high	133 Å²	133	54.9 Å²	54.9	62%	0.621	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-28.5	179.8	-71.6	-171.3	-1	0	0	112.7	Q81 Y215	Q81-Q217 WeakPolarHBondContact CB-O 3.44Å; Q81-Q217 PolarHBondContact N-O 3.33Å; Y215-Q217 HydrophobicContact CE1-CG 4.42Å
218	D	96.5	Very high	97.5	Very high	105 Å²	105	54.9 Å²	54.9	56%	0.561	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	22.8	-176.4	64	-29.7	0	0	0	113.4	R216	R216-D218 VanDerWaalsContact C-N 3.27Å; R216-D218 WeakPolarHBondContact CB-OD1 3.33Å; R216-D218 IonicContact NE-OD1 3.81Å; R216-D218 PolarHBondContact O-N 2.62Å
219	L	97.3	Very high	97.5	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	29%	0.292	C	S	.	.			trans	-60.9	136.9	173.6	-72.5	166.8	0	0	0	111.1	F80 H82 Y215 R216 E223 A224 L227	F80-L219 HydrophobicContact CD2-CB 4.35Å; F80-L219 WeakPolarHBondContact CD2-O 3.35Å; H82-L219 PolarHBondContact CD2-O 3.25Å; Y215-L219 HydrophobicContact CD2-CD1 4.46Å; R216-L219 HydrophobicContact CB-CD2 4.43Å; R216-L219 HydrophobicContact CB-CG 4.11Å; R216-L219 VanDerWaalsContact O-CD1 3.3Å; R216-L219 WeakPolarHBondContact O-CD1 3.19Å; R216-L219 VanDerWaalsContact O-CG 3.22Å; R216-L219 WeakPolarHBondContact O-CG 3.38Å; L219-E223 HydrophobicContact CB-CB 4.49Å; L219-E223 HydrophobicContact CD2-CB 3.77Å; L219-A224 HydrophobicContact CB-CB 4.26Å; L219-A224 HydrophobicContact CD1-CB 4.49Å; L219-L227 HydrophobicContact CD1-CD2 3.88Å
220	S	98.1	Very high	97.5	Very high	44 Å²	44	56 Å²	56	31%	0.308	29%	0.285	S	S	.	.			trans	-66.4	157.7	164.1	66.3	0	0	0	0	110.6	E222 E223 A224	S220-E222 VanDerWaalsContact C-N 3.27Å; S220-E222 PolarHBondContact O-N 2.93Å; S220-E223 WeakPolarHBondContact CB-OE2 3.4Å; S220-E223 PolarHBondContact N-OE2 3.44Å; S220-E223 PolarHBondContact O-N 3.26Å; S220-E223 VanDerWaalsContact OG-CG 3.22Å; S220-E223 WeakPolarHBondContact OG-CG 3.45Å; S220-E223 PolarHBondContact OG-N 3.4Å; S220-E223 PolarHBondContact OG-OE2 3.45Å; S220-A224 WeakPolarHBondContact O-CB 3.32Å; S220-A224 PolarHBondContact O-N 3.12Å
221	P	97.8	Very high	97.5	Very high	39 Å²	39	54.5 Å²	54.5	25%	0.253	28%	0.276	S	S	.	.	H	α-helix	trans	-54.8	-41.7	178.5	-27.5	36.2	0	0	0	113.4	H82 A224 Y225	H82-P221 HydrophobicContact CB-CG 4.38Å; P221-A224 PolarHBondContact O-N 3.3Å; P221-Y225 HydrophobicContact CB-CE2 4.18Å; P221-Y225 WeakPolarHBondContact O-CD1 3.09Å; P221-Y225 VanDerWaalsContact O-CD2 3.26Å; P221-Y225 WeakPolarHBondContact O-CD2 3.09Å; P221-Y225 PolarHBondContact O-N 3.01Å
222	E	97.9	Very high	97.5	Very high	134 Å²	134	54.5 Å²	54.5	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-67.9	-39.6	-179.9	-61	-54.5	138.8	0	0	112.7	S220 Y225 D226	S220-E222 VanDerWaalsContact C-N 3.27Å; S220-E222 PolarHBondContact O-N 2.93Å; E222-Y225 PolarHBondContact O-N 3Å; E222-D226 PolarHBondContact O-N 3.12Å
223	E	98.1	Very high	97.5	Very high	83 Å²	83	50 Å²	50	39%	0.388	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-39.3	173.9	-69.9	170.4	115.7	0	0	111.6	R216 L219 S220 Y225 D226 L227	R216-E223 IonicContact NH2-OE1 3.61Å; R216-E223 PolarHBondContact NH2-OE1 3.26Å; R216-E223 IonicContact NH2-OE2 3.17Å; L219-E223 HydrophobicContact CB-CB 4.49Å; L219-E223 HydrophobicContact CD2-CB 3.77Å; S220-E223 WeakPolarHBondContact CB-OE2 3.4Å; S220-E223 PolarHBondContact N-OE2 3.44Å; S220-E223 PolarHBondContact O-N 3.26Å; S220-E223 VanDerWaalsContact OG-CG 3.22Å; S220-E223 WeakPolarHBondContact OG-CG 3.45Å; S220-E223 PolarHBondContact OG-N 3.4Å; S220-E223 PolarHBondContact OG-OE2 3.45Å; E223-Y225 VanDerWaalsContact C-N 3.35Å; E223-D226 PolarHBondContact O-N 2.96Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 PolarHBondContact O-N 3.14Å
224	A	98.4	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-40.5	176.2	0	0	0	0	0	111.5	F78 F80 I85 L219 S220 P221 A228	F78-A224 HydrophobicContact CE2-CB 4.1Å; F78-A224 HydrophobicContact CZ-CB 4.21Å; F80-A224 HydrophobicContact CD2-CB 4.07Å; F80-A224 HydrophobicContact CE1-CB 4.47Å; F80-A224 HydrophobicContact CE2-CB 3.82Å; F80-A224 HydrophobicContact CG-CB 4.47Å; F80-A224 HydrophobicContact CZ-CB 4.05Å; I85-A224 HydrophobicContact CG1-CB 3.99Å; L219-A224 HydrophobicContact CB-CB 4.26Å; L219-A224 HydrophobicContact CD1-CB 4.49Å; S220-A224 WeakPolarHBondContact O-CB 3.32Å; S220-A224 PolarHBondContact O-N 3.12Å; P221-A224 PolarHBondContact O-N 3.3Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 2.98Å
225	Y	98.4	Very high	97.7	Very high	22 Å²	22	47.9 Å²	47.9	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-46	173.8	-61.3	-18.8	0	0	0	111.6	I85 P221 E222 E223 A228 R229 M248 H250 V259	I85-Y225 HydrophobicContact CD1-CD1 3.73Å; I85-Y225 HydrophobicContact CD1-CE1 3.57Å; P221-Y225 HydrophobicContact CB-CE2 4.18Å; P221-Y225 WeakPolarHBondContact O-CD1 3.09Å; P221-Y225 VanDerWaalsContact O-CD2 3.26Å; P221-Y225 WeakPolarHBondContact O-CD2 3.09Å; P221-Y225 PolarHBondContact O-N 3.01Å; E222-Y225 PolarHBondContact O-N 3Å; E223-Y225 VanDerWaalsContact C-N 3.35Å; Y225-A228 PolarHBondContact O-N 2.91Å; Y225-R229 WeakPolarHBondContact O-CB 3.34Å; Y225-R229 PolarHBondContact O-N 3.1Å; Y225-M248 HydrophobicContact CD1-CE 4.06Å; Y225-M248 HydrophobicContact CD1-SD 4.2Å; Y225-M248 HydrophobicContact CG-CE 3.91Å; Y225-H250 HydrophobicContact CE1-CB 4.04Å; Y225-H250 AromaticContact CE1-ND1 3.59Å; Y225-H250 AromaticContact CZ-ND1 3.62Å; Y225-H250 PolarHBondContact OH-ND1 3.44Å; Y225-V259 HydrophobicContact CD1-CG1 4.3Å; Y225-V259 HydrophobicContact CD1-CG2 4.46Å; Y225-V259 HydrophobicContact CD2-CG1 4.06Å; Y225-V259 HydrophobicContact CE1-CG1 4.32Å; Y225-V259 HydrophobicContact CE1-CG2 3.95Å; Y225-V259 HydrophobicContact CE2-CG1 4.08Å; Y225-V259 HydrophobicContact CG-CG1 4.19Å
226	D	97.9	Very high	97.6	Very high	44 Å²	44	46.1 Å²	46.1	24%	0.235	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-42.1	179.4	-165	53.2	0	0	0	112.2	E222 E223 R229 R230	E222-D226 PolarHBondContact O-N 3.12Å; E223-D226 PolarHBondContact O-N 2.96Å; D226-R229 PolarHBondContact O-N 3.36Å; D226-R229 IonicContact OD1-NH1 3.14Å; D226-R229 PolarHBondContact OD1-NH1 3.34Å; D226-R229 VanDerWaalsContact OD1-NH1 3.17Å; D226-R230 WeakPolarHBondContact O-CB 3.39Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.46Å; D226-R230 PolarHBondContact O-N 3.14Å; D226-R230 IonicContact OD1-NE 2.73Å; D226-R230 IonicContact OD2-CZ 2.6Å; D226-R230 IonicContact OD2-NE 2.82Å; D226-R230 PolarHBondContact OD2-NE 2.95Å; D226-R230 IonicContact OD2-NH2 2.82Å; D226-R230 PolarHBondContact OD2-NH2 3.25Å
227	L	98.2	Very high	97.6	Very high	17 Å²	17	45 Å²	45	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-50.9	176	179.5	62	0	0	0	111.6	F78 L219 E223 R229 R230 A231	F78-L227 HydrophobicContact CZ-CD2 4.3Å; L219-L227 HydrophobicContact CD1-CD2 3.88Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 PolarHBondContact O-N 3.14Å; L227-R229 VanDerWaalsContact C-N 3.35Å; L227-R229 PolarHBondContact O-N 2.93Å; L227-R230 PolarHBondContact O-N 2.88Å; L227-A231 WeakPolarHBondContact O-CB 3.36Å; L227-A231 PolarHBondContact O-N 3.46Å
228	A	98.3	Very high	97.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-43.8	179.6	0	0	0	0	0	111.8	L76 F78 I85 A87 A224 Y225 A231 I232 M248	L76-A228 HydrophobicContact CD1-CB 4.18Å; F78-A228 HydrophobicContact CE1-CB 3.81Å; F78-A228 HydrophobicContact CZ-CB 4.19Å; I85-A228 HydrophobicContact CG2-CB 3.53Å; A87-A228 HydrophobicContact CB-CB 4.04Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 2.98Å; Y225-A228 PolarHBondContact O-N 2.91Å; A228-A231 PolarHBondContact O-N 2.91Å; A228-I232 PolarHBondContact O-N 2.92Å; A228-I232 VanDerWaalsContact O-N 3.12Å; A228-M248 HydrophobicContact CB-SD 3.73Å
229	R	98.1	Very high	97.7	Very high	38 Å²	38	43 Å²	43	14%	0.143	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-49.3	177.5	-172.6	-170.3	-56	122.2	-3.8	111.4	Y225 D226 L227 A231 I232 V233 E260 L267 Y271	Y225-R229 WeakPolarHBondContact O-CB 3.34Å; Y225-R229 PolarHBondContact O-N 3.1Å; D226-R229 PolarHBondContact O-N 3.36Å; D226-R229 IonicContact OD1-NH1 3.14Å; D226-R229 PolarHBondContact OD1-NH1 3.34Å; D226-R229 VanDerWaalsContact OD1-NH1 3.17Å; L227-R229 VanDerWaalsContact C-N 3.35Å; L227-R229 PolarHBondContact O-N 2.93Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-A231 PolarHBondContact O-N 2.82Å; R229-I232 PolarHBondContact O-N 3.37Å; R229-V233 WeakPolarHBondContact O-CB 3.23Å; R229-V233 VanDerWaalsContact O-CG2 3.25Å; R229-V233 WeakPolarHBondContact O-CG2 3.36Å; R229-V233 PolarHBondContact O-N 3.38Å; R229-E260 IonicContact CZ-OE1 3.66Å; R229-E260 IonicContact CZ-OE2 3.36Å; R229-E260 IonicContact NE-OE1 2.8Å; R229-E260 PolarHBondContact NE-OE1 2.68Å; R229-E260 IonicContact NE-OE2 3.1Å; R229-E260 PolarHBondContact NE-OE2 3.16Å; R229-E260 VanDerWaalsContact NE-OE2 3.1Å; R229-E260 IonicContact NH2-OE1 3.66Å; R229-E260 IonicContact NH2-OE2 2.75Å; R229-E260 PolarHBondContact NH2-OE2 3.44Å; R229-L267 HydrophobicContact CG-CD1 3.62Å; R229-L267 HydrophobicContact CG-CD2 4.41Å; R229-Y271 VanDerWaalsContact CD-OH 3.24Å; R229-Y271 WeakPolarHBondContact CD-OH 3.39Å
230	R	97.6	Very high	97.6	Very high	102 Å²	102	46.8 Å²	46.8	39%	0.385	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-42.9	177.3	-74.2	179.4	-167.6	-142.3	8	111.6	V210 D226 L227 I232 V233 Y234 Y271	V210-R230 HydrophobicContact CG1-CB 4.24Å; D226-R230 WeakPolarHBondContact O-CB 3.39Å; D226-R230 VanDerWaalsContact O-CG 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.46Å; D226-R230 PolarHBondContact O-N 3.14Å; D226-R230 IonicContact OD1-NE 2.73Å; D226-R230 IonicContact OD2-CZ 2.6Å; D226-R230 IonicContact OD2-NE 2.82Å; D226-R230 PolarHBondContact OD2-NE 2.95Å; D226-R230 IonicContact OD2-NH2 2.82Å; D226-R230 PolarHBondContact OD2-NH2 3.25Å; L227-R230 PolarHBondContact O-N 2.88Å; R230-I232 PolarHBondContact O-N 3.07Å; R230-V233 PolarHBondContact O-N 3.14Å; R230-Y234 HydrophobicContact CB-CD2 4.13Å; R230-Y234 HydrophobicContact CB-CE2 4.03Å; R230-Y234 HydrophobicContact CG-CE2 4.32Å; R230-Y234 WeakPolarHBondContact O-CD2 3.09Å; R230-Y234 PolarHBondContact O-N 3.15Å; R230-Y271 HydrophobicContact CG-CE1 4.44Å; R230-Y271 HydrophobicContact CG-CE2 4.04Å
231	A	98.3	Very high	97.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-44.8	-179.9	0	0	0	0	0	112.2	L76 V210 M211 L227 A228 R229 A235	L76-A231 HydrophobicContact CD2-CB 3.51Å; V210-A231 HydrophobicContact CB-CB 4.1Å; V210-A231 HydrophobicContact CG1-CB 4.07Å; M211-A231 HydrophobicContact CB-CB 4.36Å; L227-A231 WeakPolarHBondContact O-CB 3.36Å; L227-A231 PolarHBondContact O-N 3.46Å; A228-A231 PolarHBondContact O-N 2.91Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-A231 PolarHBondContact O-N 2.82Å; A231-A235 VanDerWaalsContact O-CB 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.26Å; A231-A235 VanDerWaalsContact O-N 3.1Å
232	I	98.3	Very high	97.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-47.6	173.5	-64.1	-62.4	0	0	0	111.2	T74 L76 A87 D89 A228 R229 R230 Y234 A235 T236 V246	T74-I232 HydrophobicContact CG2-CD1 3.73Å; L76-I232 HydrophobicContact CD2-CD1 3.58Å; L76-I232 HydrophobicContact CD2-CG1 3.8Å; L76-I232 HydrophobicContact CG-CD1 3.87Å; L76-I232 HydrophobicContact CG-CG1 4.24Å; A87-I232 HydrophobicContact CB-CD1 4.5Å; A87-I232 HydrophobicContact CB-CG1 3.8Å; D89-I232 HydrophobicContact CB-CG2 4.14Å; A228-I232 PolarHBondContact O-N 2.92Å; A228-I232 VanDerWaalsContact O-N 3.12Å; R229-I232 PolarHBondContact O-N 3.37Å; R230-I232 PolarHBondContact O-N 3.07Å; I232-Y234 PolarHBondContact O-N 2.89Å; I232-A235 PolarHBondContact O-N 3.43Å; I232-T236 HydrophobicContact CG2-CG2 3.99Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 3.31Å; I232-T236 PolarHBondContact O-N 3.18Å; I232-T236 PolarHBondContact O-OG1 3.46Å; I232-V246 HydrophobicContact CB-CG1 4.18Å; I232-V246 HydrophobicContact CB-CG2 4.24Å; I232-V246 HydrophobicContact CG1-CG1 4.4Å; I232-V246 HydrophobicContact CG2-CB 4.45Å; I232-V246 HydrophobicContact CG2-CG1 4.19Å; I232-V246 HydrophobicContact CG2-CG2 3.77Å
233	V	97.8	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-47.7	-177.6	169.6	0	0	0	0	111.5	R229 R230 A235 T236 H237 V246 L267 L268 Y271	R229-V233 WeakPolarHBondContact O-CB 3.23Å; R229-V233 VanDerWaalsContact O-CG2 3.25Å; R229-V233 WeakPolarHBondContact O-CG2 3.36Å; R229-V233 PolarHBondContact O-N 3.38Å; R230-V233 PolarHBondContact O-N 3.14Å; V233-A235 VanDerWaalsContact C-N 3.35Å; V233-A235 PolarHBondContact O-N 2.98Å; V233-T236 WeakPolarHBondContact CA-OG1 3.07Å; V233-T236 PolarHBondContact O-N 2.89Å; V233-T236 PolarHBondContact O-OG1 2.8Å; V233-H237 PolarHBondContact O-N 2.86Å; V233-V246 HydrophobicContact CG2-CG2 3.97Å; V233-L267 HydrophobicContact CG2-CB 3.8Å; V233-L267 HydrophobicContact CG2-CD1 3.68Å; V233-L267 HydrophobicContact CG2-CG 4.41Å; V233-L268 HydrophobicContact CG1-CB 4.19Å; V233-L268 HydrophobicContact CG1-CD1 3.94Å; V233-Y271 HydrophobicContact CB-CE2 4.24Å; V233-Y271 HydrophobicContact CG1-CD2 4.08Å; V233-Y271 HydrophobicContact CG1-CE2 4.05Å; V233-Y271 HydrophobicContact CG2-CE2 4.26Å
234	Y	97.7	Very high	97.1	Very high	80 Å²	80	37 Å²	37	31%	0.314	17%	0.168	S	C	.	.	H	α-helix	trans	-69.7	-32	179.1	-70.2	-57.4	0	0	0	113	V210 R230 I232 H237 R238	V210-Y234 HydrophobicContact CG1-CD2 4.29Å; V210-Y234 HydrophobicContact CG2-CD2 3.96Å; V210-Y234 HydrophobicContact CG2-CG 4.31Å; R230-Y234 HydrophobicContact CB-CD2 4.13Å; R230-Y234 HydrophobicContact CB-CE2 4.03Å; R230-Y234 HydrophobicContact CG-CE2 4.32Å; R230-Y234 WeakPolarHBondContact O-CD2 3.09Å; R230-Y234 PolarHBondContact O-N 3.15Å; I232-Y234 PolarHBondContact O-N 2.89Å; Y234-H237 PolarHBondContact O-N 3.3Å; Y234-R238 PolarHBondContact O-N 2.96Å
235	A	97.8	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-48.9	171.1	0	0	0	0	0	111.5	T74 A207 A231 I232 V233 H237 R238 D239	T74-A235 HydrophobicContact CG2-CB 3.78Å; A207-A235 HydrophobicContact CB-CB 4.26Å; A231-A235 VanDerWaalsContact O-CB 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.26Å; A231-A235 VanDerWaalsContact O-N 3.1Å; I232-A235 PolarHBondContact O-N 3.43Å; V233-A235 VanDerWaalsContact C-N 3.35Å; V233-A235 PolarHBondContact O-N 2.98Å; A235-H237 PolarHBondContact O-N 3.09Å; A235-R238 PolarHBondContact O-N 3.33Å; A235-D239 WeakPolarHBondContact O-CB 3.29Å; A235-D239 PolarHBondContact O-N 2.79Å
236	T	97.1	Very high	97.1	Very high	15 Å²	15	36.2 Å²	36.2	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-22.3	176.7	62.8	0	0	0	0	113.6	D89 I232 V233 V264	D89-T236 HydrophobicContact CB-CG2 3.89Å; I232-T236 HydrophobicContact CG2-CG2 3.99Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 3.31Å; I232-T236 PolarHBondContact O-N 3.18Å; I232-T236 PolarHBondContact O-OG1 3.46Å; V233-T236 WeakPolarHBondContact CA-OG1 3.07Å; V233-T236 PolarHBondContact O-N 2.89Å; V233-T236 PolarHBondContact O-OG1 2.8Å; T236-V264 HydrophobicContact CG2-CG2 4.31Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.27Å
237	H	96.8	Very high	97.1	Very high	87 Å²	87	34.5 Å²	34.5	40%	0.403	16%	0.156	S	C	.	.	H	α-helix	trans	-73.4	-29.5	174.9	-171.8	46.8	0	0	0	112.5	V233 Y234 A235 L268 R272	V233-H237 PolarHBondContact O-N 2.86Å; Y234-H237 PolarHBondContact O-N 3.3Å; A235-H237 PolarHBondContact O-N 3.09Å; H237-L268 HydrophobicContact CB-CD1 4.4Å; H237-R272 PolarHBondContact CE1-NH2 3.42Å; H237-R272 VanDerWaalsContact CE1-NH2 3.31Å
238	R	96.8	Very high	97.1	Very high	181 Å²	181	33.7 Å²	33.7	68%	0.683	15%	0.152	S	C	*	.	H	α-helix	trans	-101.1	-38.8	-177	-67.6	-63.6	-173.1	169.2	-0.5	113.3	Y206 Y234 A235	Y206-R238 HydrophobicContact CD1-CB 3.78Å; Y206-R238 HydrophobicContact CD1-CG 4.14Å; Y206-R238 HydrophobicContact CD2-CB 4Å; Y206-R238 HydrophobicContact CE1-CB 3.7Å; Y206-R238 HydrophobicContact CE1-CG 4.22Å; Y206-R238 HydrophobicContact CE2-CB 3.94Å; Y206-R238 HydrophobicContact CG-CB 3.94Å; Y234-R238 PolarHBondContact O-N 2.96Å; A235-R238 PolarHBondContact O-N 3.33Å
239	D	96.3	Very high	97.1	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.08	15%	0.152	C	C	.	.			trans	-85.6	120.5	179.3	179.3	32.3	0	0	0	111.3	S202 G203 Y206 A235 Y241 S242	S202-D239 WeakPolarHBondContact CB-OD2 3.47Å; S202-D239 PolarHBondContact OG-OD2 2.83Å; G203-D239 PolarHBondContact N-OD2 3.23Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.97Å; A235-D239 WeakPolarHBondContact O-CB 3.29Å; A235-D239 PolarHBondContact O-N 2.79Å; D239-Y241 PolarHBondContact O-N 2.79Å; D239-Y241 PolarHBondContact OD1-N 3.03Å; D239-S242 PolarHBondContact O-N 3.29Å; D239-S242 VanDerWaalsContact OD2-CB 3.29Å; D239-S242 WeakPolarHBondContact OD2-CB 3.43Å; D239-S242 PolarHBondContact OD2-N 2.55Å; D239-S242 PolarHBondContact OD2-OG 2.82Å
240	S	93.5	Very high	97.1	Very high	82 Å²	82	32 Å²	32	57%	0.573	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.2	-178.2	52.7	0	0	0	0	113	R91	R91-S240 PolarHBondContact NH1-O 2.88Å
241	Y	93.8	Very high	97.2	Very high	83 Å²	83	27.1 Å²	27.1	33%	0.325	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.7	-176.2	-58.1	-70.8	0	0	0	114.1	R91 G95 D239	R91-Y241 WeakPolarHBondContact CD-O 3.12Å; G95-Y241 WeakPolarHBondContact O-CE1 3.44Å; D239-Y241 PolarHBondContact O-N 2.79Å; D239-Y241 PolarHBondContact OD1-N 3.03Å
242	S	95.8	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.			trans	-104.6	142.9	176.5	-63.9	0	0	0	0	111.4	T74 D89 R91 D239	T74-S242 PolarHBondContact N-OG 2.95Å; T74-S242 VanDerWaalsContact N-OG 3.15Å; T74-S242 WeakPolarHBondContact OG1-CB 3.37Å; T74-S242 PolarHBondContact OG1-OG 2.9Å; D89-S242 VanDerWaalsContact OD2-CA 3.31Å; D89-S242 WeakPolarHBondContact OD2-CA 3.29Å; R91-S242 PolarHBondContact NH1-O 3.1Å; D239-S242 PolarHBondContact O-N 3.29Å; D239-S242 VanDerWaalsContact OD2-CB 3.29Å; D239-S242 WeakPolarHBondContact OD2-CB 3.43Å; D239-S242 PolarHBondContact OD2-N 2.55Å; D239-S242 PolarHBondContact OD2-OG 2.82Å
243	G	96.1	Very high	97	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	18%	0.175	C	C	.	.			trans	165.2	-159.5	175.3	0	0	0	0	0	115	D89 S90 R91	D89-G243 PolarHBondContact OD2-N 3Å; S90-G243 PolarHBondContact N-O 2.9Å; R91-G243 PolarHBondContact N-O 3.04Å
244	G	96.6	Very high	96.9	Very high	9 Å²	9	44 Å²	44	9%	0.093	21%	0.206	C	C	.	.	S	Bend	trans	86.6	-116.1	-179.2	0	0	0	0	0	111.7	V264	G244-V264 VanDerWaalsContact O-CB 3.25Å; G244-V264 WeakPolarHBondContact O-CB 3.38Å; G244-V264 WeakPolarHBondContact O-CG2 3.2Å; G244-V264 PolarHBondContact O-N 2.93Å
245	V	97.9	Very high	96.9	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.6	179.4	-53	0	0	0	0	110.5	D89 S90 R102 T262	D89-V245 CarbonylContact C-O 3.56Å; S90-V245 PolarHBondContact N-O 3.23Å; S90-V245 WeakPolarHBondContact OG-CG2 3.24Å; S90-V245 PolarHBondContact OG-N 3.3Å; S90-V245 PolarHBondContact OG-O 3.21Å; R102-V245 HydrophobicContact CG-CG1 4.34Å; V245-T262 CarbonylContact C-O 3.5Å; V245-T262 VanDerWaalsContact CA-O 3.26Å; V245-T262 WeakPolarHBondContact CA-O 3.37Å; V245-T262 WeakPolarHBondContact CB-O 3.14Å
246	V	98.1	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.4	167.6	-174.2	0	0	0	0	107.8	I232 V233 S261 T262 V264 L267	I232-V246 HydrophobicContact CB-CG1 4.18Å; I232-V246 HydrophobicContact CB-CG2 4.24Å; I232-V246 HydrophobicContact CG1-CG1 4.4Å; I232-V246 HydrophobicContact CG2-CB 4.45Å; I232-V246 HydrophobicContact CG2-CG1 4.19Å; I232-V246 HydrophobicContact CG2-CG2 3.77Å; V233-V246 HydrophobicContact CG2-CG2 3.97Å; V246-S261 CarbonylContact O-C 3.17Å; V246-S261 VanDerWaalsContact O-CA 3.27Å; V246-S261 WeakPolarHBondContact O-CA 3.43Å; V246-T262 PolarHBondContact N-O 3.49Å; V246-T262 PolarHBondContact O-N 3.35Å; V246-V264 HydrophobicContact CG2-CG2 3.7Å; V246-L267 HydrophobicContact CG2-CD1 4.02Å
247	N	98.2	Very high	96.9	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123	167.6	-69.7	-64.3	0	0	0	108.8	A87 V88 Y249 S261	A87-N247 WeakPolarHBondContact CA-O 3.48Å; V88-N247 HydrophobicContact CG2-CB 3.86Å; V88-N247 PolarHBondContact N-O 3.49Å; V88-N247 PolarHBondContact O-N 2.81Å; N247-Y249 HydrophobicContact CB-CE2 4.43Å; N247-S261 WeakPolarHBondContact OD1-CB 3.3Å; N247-S261 PolarHBondContact OD1-OG 2.85Å
248	M	98.4	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.5	-179.7	-175.2	163.8	54.9	0	0	111.4	I85 V86 A87 Y225 A228 V259 E260	I85-M248 HydrophobicContact CG2-CG 4Å; I85-M248 HydrophobicContact CG2-SD 3.81Å; V86-M248 CarbonylContact O-C 3.52Å; V86-M248 WeakPolarHBondContact O-CA 3.33Å; A87-M248 HydrophobicContact CB-CB 4.47Å; A87-M248 HydrophobicContact CB-CG 4.34Å; Y225-M248 HydrophobicContact CD1-CE 4.06Å; Y225-M248 HydrophobicContact CD1-SD 4.2Å; Y225-M248 HydrophobicContact CG-CE 3.91Å; A228-M248 HydrophobicContact CB-SD 3.73Å; M248-V259 HydrophobicContact CB-CB 4.41Å; M248-V259 HydrophobicContact CE-CB 4.27Å; M248-V259 HydrophobicContact CE-CG1 3.86Å; M248-V259 HydrophobicContact CG-CB 4.32Å; M248-V259 PolarHBondContact O-N 3.29Å; M248-E260 HydrophobicContact CB-CG 3.83Å; M248-E260 HydrophobicContact CE-CG 3.73Å; M248-E260 WeakPolarHBondContact CE-OE1 3.33Å; M248-E260 PolarHBondContact N-O 3.36Å; M248-E260 VanDerWaalsContact N-O 3.09Å; M248-E260 PolarHBondContact O-N 3.07Å
249	Y	98.7	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.1	178.2	-71.4	-108.4	0	0	0	109.4	V86 V106 E108 L114 N247 W256 V257 K258	V86-Y249 PolarHBondContact N-O 2.7Å; V86-Y249 PolarHBondContact O-N 3.34Å; V106-Y249 HydrophobicContact CB-CD2 3.98Å; V106-Y249 HydrophobicContact CB-CE2 3.69Å; V106-Y249 HydrophobicContact CG1-CD1 4.47Å; V106-Y249 HydrophobicContact CG1-CD2 3.97Å; V106-Y249 HydrophobicContact CG1-CE1 4.47Å; V106-Y249 HydrophobicContact CG1-CE2 3.99Å; V106-Y249 HydrophobicContact CG1-CG 4.23Å; V106-Y249 HydrophobicContact CG2-CD2 3.74Å; V106-Y249 HydrophobicContact CG2-CE2 3.82Å; E108-Y249 HydrophobicContact CG-CE1 4.28Å; E108-Y249 WeakPolarHBondContact OE1-CE1 3.47Å; E108-Y249 PolarHBondContact OE1-OH 3.38Å; L114-Y249 HydrophobicContact CD1-CD1 4.03Å; L114-Y249 HydrophobicContact CD1-CG 4.08Å; L114-Y249 HydrophobicContact CD2-CD1 4.22Å; L114-Y249 HydrophobicContact CD2-CE1 4.48Å; N247-Y249 HydrophobicContact CB-CE2 4.43Å; Y249-W256 HydrophobicContact CD1-CD2 4.24Å; Y249-W256 AromaticContact CD1-CE3 3.59Å; Y249-W256 HydrophobicContact CD1-CE3 3.59Å; Y249-W256 HydrophobicContact CD1-CZ3 4.03Å; Y249-W256 HydrophobicContact CE1-CD2 4.47Å; Y249-W256 AromaticContact CE1-CE3 3.7Å; Y249-W256 HydrophobicContact CE1-CE3 3.7Å; Y249-W256 HydrophobicContact CE1-CH2 4.35Å; Y249-W256 AromaticContact CE1-CZ3 3.64Å; Y249-W256 HydrophobicContact CE1-CZ3 3.64Å; Y249-V257 WeakPolarHBondContact CA-O 3.31Å; Y249-K258 HydrophobicContact CD1-CB 4.17Å; Y249-K258 HydrophobicContact CD1-CG 4.49Å; Y249-K258 HydrophobicContact CE1-CB 3.91Å; Y249-K258 HydrophobicContact CE1-CD 4.35Å; Y249-K258 HydrophobicContact CE1-CG 4.1Å; Y249-K258 HydrophobicContact CE2-CD 4.38Å; Y249-K258 HydrophobicContact CE2-CG 4.2Å
250	H	98.6	Very high	97	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.7	174.8	178.9	-178	0	0	0	108.9	F80 H82 I85 Y225 K252 W256 V257 V259	F80-H250 AromaticContact CE1-NE2 3.78Å; F80-H250 AromaticContact CZ-CE1 3.88Å; F80-H250 AromaticContact CZ-NE2 3.61Å; H82-H250 PolarHBondContact O-NE2 2.92Å; I85-H250 HydrophobicContact CD1-CB 3.95Å; Y225-H250 HydrophobicContact CE1-CB 4.04Å; Y225-H250 AromaticContact CE1-ND1 3.59Å; Y225-H250 AromaticContact CZ-ND1 3.62Å; Y225-H250 PolarHBondContact OH-ND1 3.44Å; H250-K252 WeakPolarHBondContact ND1-CE 3.3Å; H250-W256 CarbonylContact O-C 3.59Å; H250-W256 WeakPolarHBondContact O-CA 3.49Å; H250-V257 HydrophobicContact CB-CG2 3.94Å; H250-V257 PolarHBondContact N-O 3.06Å; H250-V257 PolarHBondContact O-N 2.84Å; H250-V259 HydrophobicContact CB-CG2 3.6Å
251	M	98.4	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.5	172.5	-175	61.9	64.8	0	0	110.4	G83 V84 L114 W176 W256	G83-M251 WeakPolarHBondContact CA-O 3.28Å; V84-M251 HydrophobicContact CB-CB 3.99Å; V84-M251 HydrophobicContact CG2-CB 4.38Å; V84-M251 PolarHBondContact N-O 3.11Å; V84-M251 VanDerWaalsContact N-O 3.12Å; V84-M251 PolarHBondContact O-N 3.16Å; L114-M251 HydrophobicContact CB-CE 4.25Å; L114-M251 HydrophobicContact CD1-CE 3.89Å; L114-M251 HydrophobicContact CG-CE 3.76Å; W176-M251 HydrophobicContact CB-CG 4.37Å; M251-W256 HydrophobicContact CE-CB 3.72Å; M251-W256 HydrophobicContact CE-CG 4.25Å; M251-W256 HydrophobicContact SD-CB 4.08Å
252	K	97.8	Very high	97.3	Very high	73 Å²	73	37.6 Å²	37.6	32%	0.317	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	177	175.2	-60.9	-178.8	-177.5	179.9	0	110.6	H250 D254 G255	H250-K252 WeakPolarHBondContact ND1-CE 3.3Å; K252-D254 VanDerWaalsContact C-N 3.25Å; K252-D254 WeakPolarHBondContact CB-OD1 3.28Å; K252-D254 PolarHBondContact O-N 3.2Å; K252-G255 WeakPolarHBondContact CA-O 3.27Å; K252-G255 WeakPolarHBondContact CB-O 3.09Å; K252-G255 PolarHBondContact N-O 2.77Å; K252-G255 PolarHBondContact O-N 3.18Å
253	K	96	Very high	97.4	Very high	160 Å²	160	39.7 Å²	39.7	70%	0.696	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.5	179.2	-174.7	176.5	178.2	-176.5	0	113.3	W176	W176-K253 VanDerWaalsContact CD2-CA 3.49Å; W176-K253 HydrophobicContact CD2-CB 4.01Å; W176-K253 HydrophobicContact CE3-CB 4.38Å; W176-K253 HydrophobicContact CG-CB 4.46Å; W176-K253 HydrophobicContact CH2-CB 4.33Å; W176-K253 HydrophobicContact CZ2-CB 3.98Å; W176-K253 HydrophobicContact CZ2-CG 4.36Å; W176-K253 HydrophobicContact CZ3-CB 4.48Å
254	D	95.4	Very high	97.4	Very high	121 Å²	121	40.3 Å²	40.3	65%	0.647	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.7	-179.4	59.6	-35.7	0	0	0	113.7	Y112 K252	Y112-D254 WeakPolarHBondContact CE1-O 3.48Å; K252-D254 VanDerWaalsContact C-N 3.25Å; K252-D254 WeakPolarHBondContact CB-OD1 3.28Å; K252-D254 PolarHBondContact O-N 3.2Å
255	G	96.2	Very high	97.4	Very high	6 Å²	6	42.7 Å²	42.7	6%	0.062	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.1	-177.3	-179.4	0	0	0	0	0	112.1	P111 K252	P111-G255 WeakPolarHBondContact O-CA 3.31Å; K252-G255 WeakPolarHBondContact CA-O 3.27Å; K252-G255 WeakPolarHBondContact CB-O 3.09Å; K252-G255 PolarHBondContact N-O 2.77Å; K252-G255 PolarHBondContact O-N 3.18Å
256	W	98.3	Very high	97.4	Very high	58 Å²	58	47.6 Å²	47.6	22%	0.22	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	150.8	175.5	57.7	-98.1	0	0	0	112	E108 N110 P111 L114 Y249 H250 M251	E108-W256 HydrophobicContact CB-CH2 4.41Å; E108-W256 HydrophobicContact CB-CZ2 3.77Å; E108-W256 HydrophobicContact CG-CH2 3.74Å; E108-W256 HydrophobicContact CG-CZ2 3.53Å; E108-W256 HydrophobicContact CG-CZ3 4.49Å; E108-W256 VanDerWaalsContact OE2-CH2 3.23Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.34Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.47Å; N110-W256 PolarHBondContact O-NE1 2.96Å; P111-W256 VanDerWaalsContact C-CD1 3.4Å; P111-W256 PolarHBondContact O-N 2.97Å; P111-W256 VanDerWaalsContact O-N 3.1Å; L114-W256 HydrophobicContact CD1-CB 3.73Å; L114-W256 HydrophobicContact CD1-CG 3.97Å; L114-W256 HydrophobicContact CD2-CB 4.5Å; L114-W256 HydrophobicContact CD2-CD2 3.96Å; L114-W256 HydrophobicContact CD2-CG 3.82Å; L114-W256 HydrophobicContact CG-CB 4.12Å; L114-W256 HydrophobicContact CG-CG 3.88Å; Y249-W256 HydrophobicContact CD1-CD2 4.24Å; Y249-W256 AromaticContact CD1-CE3 3.59Å; Y249-W256 HydrophobicContact CD1-CE3 3.59Å; Y249-W256 HydrophobicContact CD1-CZ3 4.03Å; Y249-W256 HydrophobicContact CE1-CD2 4.47Å; Y249-W256 AromaticContact CE1-CE3 3.7Å; Y249-W256 HydrophobicContact CE1-CE3 3.7Å; Y249-W256 HydrophobicContact CE1-CH2 4.35Å; Y249-W256 AromaticContact CE1-CZ3 3.64Å; Y249-W256 HydrophobicContact CE1-CZ3 3.64Å; H250-W256 CarbonylContact O-C 3.59Å; H250-W256 WeakPolarHBondContact O-CA 3.49Å; M251-W256 HydrophobicContact CE-CB 3.72Å; M251-W256 HydrophobicContact CE-CG 4.25Å; M251-W256 HydrophobicContact SD-CB 4.08Å
257	V	98.1	Very high	97.3	Very high	55 Å²	55	48.1 Å²	48.1	33%	0.333	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.5	168	-62	0	0	0	0	109.4	Y249 H250 V259	Y249-V257 WeakPolarHBondContact CA-O 3.31Å; H250-V257 HydrophobicContact CB-CG2 3.94Å; H250-V257 PolarHBondContact N-O 3.06Å; H250-V257 PolarHBondContact O-N 2.84Å; V257-V259 HydrophobicContact CG2-CG2 4.45Å; V257-V259 PolarHBondContact O-N 3.48Å
258	K	97.9	Very high	97.1	Very high	100 Å²	100	49.1 Å²	49.1	44%	0.435	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.2	169.2	-171.2	171.9	-173.7	168.9	0	108.1	Y249	Y249-K258 HydrophobicContact CD1-CB 4.17Å; Y249-K258 HydrophobicContact CD1-CG 4.49Å; Y249-K258 HydrophobicContact CE1-CB 3.91Å; Y249-K258 HydrophobicContact CE1-CD 4.35Å; Y249-K258 HydrophobicContact CE1-CG 4.1Å; Y249-K258 HydrophobicContact CE2-CD 4.38Å; Y249-K258 HydrophobicContact CE2-CG 4.2Å
259	V	97.8	Very high	97	Very high	49 Å²	49	53.9 Å²	53.9	30%	0.297	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-51.6	-174.9	-178.9	0	0	0	0	110.1	Y225 M248 H250 V257	Y225-V259 HydrophobicContact CD1-CG1 4.3Å; Y225-V259 HydrophobicContact CD1-CG2 4.46Å; Y225-V259 HydrophobicContact CD2-CG1 4.06Å; Y225-V259 HydrophobicContact CE1-CG1 4.32Å; Y225-V259 HydrophobicContact CE1-CG2 3.95Å; Y225-V259 HydrophobicContact CE2-CG1 4.08Å; Y225-V259 HydrophobicContact CG-CG1 4.19Å; M248-V259 HydrophobicContact CB-CB 4.41Å; M248-V259 HydrophobicContact CE-CB 4.27Å; M248-V259 HydrophobicContact CE-CG1 3.86Å; M248-V259 HydrophobicContact CG-CB 4.32Å; M248-V259 PolarHBondContact O-N 3.29Å; H250-V259 HydrophobicContact CB-CG2 3.6Å; V257-V259 HydrophobicContact CG2-CG2 4.45Å; V257-V259 PolarHBondContact O-N 3.48Å
260	E	95.2	Very high	96.8	Very high	31 Å²	31	60.4 Å²	60.4	15%	0.145	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	164.9	-176.6	60.9	178.5	-152.3	0	0	112.9	R229 M248	R229-E260 IonicContact CZ-OE1 3.66Å; R229-E260 IonicContact CZ-OE2 3.36Å; R229-E260 IonicContact NE-OE1 2.8Å; R229-E260 PolarHBondContact NE-OE1 2.68Å; R229-E260 IonicContact NE-OE2 3.1Å; R229-E260 PolarHBondContact NE-OE2 3.16Å; R229-E260 VanDerWaalsContact NE-OE2 3.1Å; R229-E260 IonicContact NH2-OE1 3.66Å; R229-E260 IonicContact NH2-OE2 2.75Å; R229-E260 PolarHBondContact NH2-OE2 3.44Å; M248-E260 HydrophobicContact CB-CG 3.83Å; M248-E260 HydrophobicContact CE-CG 3.73Å; M248-E260 WeakPolarHBondContact CE-OE1 3.33Å; M248-E260 PolarHBondContact N-O 3.36Å; M248-E260 VanDerWaalsContact N-O 3.09Å; M248-E260 PolarHBondContact O-N 3.07Å
261	S	97.1	Very high	96.6	Very high	68 Å²	68	61.1 Å²	61.1	48%	0.476	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	79.5	171	-165.8	0	0	0	0	107.1	V246 N247	V246-S261 CarbonylContact O-C 3.17Å; V246-S261 VanDerWaalsContact O-CA 3.27Å; V246-S261 WeakPolarHBondContact O-CA 3.43Å; N247-S261 WeakPolarHBondContact OD1-CB 3.3Å; N247-S261 PolarHBondContact OD1-OG 2.85Å
262	T	96.7	Very high	96.3	Very high	42 Å²	42	67.4 Å²	67.4	26%	0.258	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.3	-166.3	-50.2	0	0	0	0	110.6	V245 V246 V264 L267	V245-T262 CarbonylContact C-O 3.5Å; V245-T262 VanDerWaalsContact CA-O 3.26Å; V245-T262 WeakPolarHBondContact CA-O 3.37Å; V245-T262 WeakPolarHBondContact CB-O 3.14Å; V246-T262 PolarHBondContact N-O 3.49Å; V246-T262 PolarHBondContact O-N 3.35Å; T262-V264 PolarHBondContact O-N 3.07Å; T262-L267 HydrophobicContact CG2-CD1 3.83Å; T262-L267 HydrophobicContact CG2-CD2 3.87Å; T262-L267 HydrophobicContact CG2-CG 3.73Å
263	D	97.9	Very high	96	Very high	44 Å²	44	70.6 Å²	70.6	24%	0.235	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133	179.7	-161.3	-78.1	0	0	0	111.7	S265 D266 L267	D263-S265 VanDerWaalsContact C-N 3.28Å; D263-S265 PolarHBondContact O-N 3.36Å; D263-S265 WeakPolarHBondContact OD1-CB 3.4Å; D263-S265 PolarHBondContact OD1-N 3.14Å; D263-D266 HydrophobicContact CB-CB 4.42Å; D263-L267 WeakPolarHBondContact O-CG 3.47Å; D263-L267 PolarHBondContact O-N 3.04Å
264	V	96.9	Very high	95.6	Very high	15 Å²	15	66.9 Å²	66.9	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-36.3	-179.7	167.1	0	0	0	0	111.1	T236 G244 V246 T262 L267 L268	T236-V264 HydrophobicContact CG2-CG2 4.31Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.27Å; G244-V264 VanDerWaalsContact O-CB 3.25Å; G244-V264 WeakPolarHBondContact O-CB 3.38Å; G244-V264 WeakPolarHBondContact O-CG2 3.2Å; G244-V264 PolarHBondContact O-N 2.93Å; V246-V264 HydrophobicContact CG2-CG2 3.7Å; T262-V264 PolarHBondContact O-N 3.07Å; V264-L267 PolarHBondContact O-N 3.24Å; V264-L268 WeakPolarHBondContact O-CB 3.16Å; V264-L268 PolarHBondContact O-N 3.05Å
265	S	95.9	Very high	94.6	Very high	58 Å²	58	66.8 Å²	66.8	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-48.5	-178	-165.3	0	0	0	0	110.4	D263 L267 L268 H269	D263-S265 VanDerWaalsContact C-N 3.28Å; D263-S265 PolarHBondContact O-N 3.36Å; D263-S265 WeakPolarHBondContact OD1-CB 3.4Å; D263-S265 PolarHBondContact OD1-N 3.14Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.44Å; S265-L268 PolarHBondContact O-N 3.43Å; S265-H269 PolarHBondContact O-CD2 3.15Å; S265-H269 PolarHBondContact O-N 2.94Å
266	D	96.9	Very high	92.5	Very high	109 Å²	109	76.1 Å²	76.1	58%	0.583	40%	0.402	S	S	*	.	H	α-helix	trans	-59.4	-43	178.6	-63.7	-18.7	0	0	0	111.4	D263 H269 K270	D263-D266 HydrophobicContact CB-CB 4.42Å; D266-H269 PolarHBondContact O-N 2.91Å; D266-K270 WeakPolarHBondContact O-CB 3.47Å; D266-K270 PolarHBondContact O-N 3.3Å
267	L	96.1	Very high	92.2	Very high	12 Å²	12	77.1 Å²	77.1	6%	0.063	41%	0.411	C	S	.	.	H	α-helix	trans	-64.9	-43.2	177.5	-69	172.8	0	0	0	112.4	R229 V233 V246 T262 D263 V264 S265 K270 Y271	R229-L267 HydrophobicContact CG-CD1 3.62Å; R229-L267 HydrophobicContact CG-CD2 4.41Å; V233-L267 HydrophobicContact CG2-CB 3.8Å; V233-L267 HydrophobicContact CG2-CD1 3.68Å; V233-L267 HydrophobicContact CG2-CG 4.41Å; V246-L267 HydrophobicContact CG2-CD1 4.02Å; T262-L267 HydrophobicContact CG2-CD1 3.83Å; T262-L267 HydrophobicContact CG2-CD2 3.87Å; T262-L267 HydrophobicContact CG2-CG 3.73Å; D263-L267 WeakPolarHBondContact O-CG 3.47Å; D263-L267 PolarHBondContact O-N 3.04Å; V264-L267 PolarHBondContact O-N 3.24Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.44Å; L267-K270 PolarHBondContact O-N 2.97Å; L267-Y271 HydrophobicContact CB-CE2 4.13Å; L267-Y271 WeakPolarHBondContact O-CD2 3.27Å; L267-Y271 PolarHBondContact O-N 2.93Å
268	L	94.8	Very high	91.9	Very high	28 Å²	28	78.2 Å²	78.2	15%	0.147	42%	0.415	C	S	.	.	H	α-helix	trans	-65.9	-41	179.6	-170.3	70	0	0	0	111.5	V233 H237 V264 S265 Y271 R272	V233-L268 HydrophobicContact CG1-CB 4.19Å; V233-L268 HydrophobicContact CG1-CD1 3.94Å; H237-L268 HydrophobicContact CB-CD1 4.4Å; V264-L268 WeakPolarHBondContact O-CB 3.16Å; V264-L268 PolarHBondContact O-N 3.05Å; S265-L268 PolarHBondContact O-N 3.43Å; L268-Y271 PolarHBondContact O-N 3.36Å; L268-R272 WeakPolarHBondContact O-CG 3.33Å; L268-R272 PolarHBondContact O-N 3.46Å
269	H	95.4	Very high	91.6	Very high	99 Å²	99	77 Å²	77	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-47.4	173.8	-77.9	-68	0	0	0	111.4	S265 D266 Y271 R272 E273	S265-H269 PolarHBondContact O-CD2 3.15Å; S265-H269 PolarHBondContact O-N 2.94Å; D266-H269 PolarHBondContact O-N 2.91Å; H269-Y271 VanDerWaalsContact C-N 3.32Å; H269-Y271 PolarHBondContact O-N 3.49Å; H269-R272 PolarHBondContact O-N 2.96Å; H269-E273 WeakPolarHBondContact O-CG 3.4Å; H269-E273 PolarHBondContact O-N 3.36Å
270	K	95.4	Very high	91.2	Very high	137 Å²	137	78.6 Å²	78.6	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-56	-43.6	175.6	-177.8	-178.8	178.2	-177.9	0	112.7	D266 L267 A274	D266-K270 WeakPolarHBondContact O-CB 3.47Å; D266-K270 PolarHBondContact O-N 3.3Å; L267-K270 PolarHBondContact O-N 2.97Å; K270-A274 WeakPolarHBondContact O-CB 3.22Å; K270-A274 PolarHBondContact O-N 3.49Å; K270-A274 VanDerWaalsContact O-N 3.16Å
271	Y	94.3	Very high	91	Very high	19 Å²	19	81.6 Å²	81.6	8%	0.075	44%	0.438	C	S	.	.	H	α-helix	trans	-71.9	-34.1	179.6	-61.6	-35.2	0	0	0	113.3	R229 R230 V233 L267 L268 H269 A274 T275	R229-Y271 VanDerWaalsContact CD-OH 3.24Å; R229-Y271 WeakPolarHBondContact CD-OH 3.39Å; R230-Y271 HydrophobicContact CG-CE1 4.44Å; R230-Y271 HydrophobicContact CG-CE2 4.04Å; V233-Y271 HydrophobicContact CB-CE2 4.24Å; V233-Y271 HydrophobicContact CG1-CD2 4.08Å; V233-Y271 HydrophobicContact CG1-CE2 4.05Å; V233-Y271 HydrophobicContact CG2-CE2 4.26Å; L267-Y271 HydrophobicContact CB-CE2 4.13Å; L267-Y271 WeakPolarHBondContact O-CD2 3.27Å; L267-Y271 PolarHBondContact O-N 2.93Å; L268-Y271 PolarHBondContact O-N 3.36Å; H269-Y271 VanDerWaalsContact C-N 3.32Å; H269-Y271 PolarHBondContact O-N 3.49Å; Y271-A274 PolarHBondContact O-N 3.29Å; Y271-T275 PolarHBondContact O-N 2.74Å; Y271-T275 PolarHBondContact O-OG1 3.35Å
272	R	92.4	Very high	90.6	Very high	132 Å²	132	82.5 Å²	82.5	50%	0.498	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-45.4	174.2	-77.6	179.3	175.8	-169.7	-1.2	111.4	H237 L268 H269 A274 T275 L276	H237-R272 PolarHBondContact CE1-NH2 3.42Å; H237-R272 VanDerWaalsContact CE1-NH2 3.31Å; L268-R272 WeakPolarHBondContact O-CG 3.33Å; L268-R272 PolarHBondContact O-N 3.46Å; H269-R272 PolarHBondContact O-N 2.96Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 2.78Å; R272-T275 PolarHBondContact O-N 3.24Å; R272-L276 PolarHBondContact O-N 3.38Å
273	E	92.4	Very high	90.1	Very high	139 Å²	139	85.4 Å²	85.4	65%	0.65	45%	0.448	S	S	*	.	H	α-helix	trans	-63.8	-36.4	177.9	-71.4	174.7	-171.8	0	0	112.5	H269 T275 L276	H269-E273 WeakPolarHBondContact O-CG 3.4Å; H269-E273 PolarHBondContact O-N 3.36Å; E273-T275 VanDerWaalsContact C-N 3.25Å; E273-T275 PolarHBondContact O-N 3.49Å; E273-L276 PolarHBondContact O-N 3.48Å
274	A	86.8	Confident	89.5	Confident	83 Å²	83	88.6 Å²	88.6	69%	0.686	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.3	178.5	0	0	0	0	0	114.7	K270 Y271 R272	K270-A274 WeakPolarHBondContact O-CB 3.22Å; K270-A274 PolarHBondContact O-N 3.49Å; K270-A274 VanDerWaalsContact O-N 3.16Å; Y271-A274 PolarHBondContact O-N 3.29Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 2.78Å
275	T	75.3	Confident	88.9	Confident	118 Å²	118	94.8 Å²	94.8	72%	0.724	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-12.7	180	-47.7	0	0	0	0	112.1	Y271 R272 E273	Y271-T275 PolarHBondContact O-N 2.74Å; Y271-T275 PolarHBondContact O-OG1 3.35Å; R272-T275 PolarHBondContact O-N 3.24Å; E273-T275 VanDerWaalsContact C-N 3.25Å; E273-T275 PolarHBondContact O-N 3.49Å
276	L	51.4	Low	88.3	Confident	203 Å²	203	98.1 Å²	98.1	100%	1.063	50%	0.504	S	S	*	.			trans	-85.8	0	173.3	-71.4	168.3	0	0	0	110.7	R272 E273	R272-L276 PolarHBondContact O-N 3.38Å; E273-L276 PolarHBondContact O-N 3.48Å

Retrieved 276 of 276 residues in 321.5 ms (Link to these results)

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