P53_HUMAN Loading...

Isoform 3 of Cellular tumor antigen p53 AlphaSync

Canonical isoform description: Multifunctional transcription factor that induces cell cycle arrest, DNA repair or apoptosis upon binding to its target DNA sequence^{1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17}. Acts as a tumor suppressor in many tumor types; induces growth arrest or apoptosis depending on the physiological circumstances and cell type^{18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33}. Negatively regulates cell division by controlling expression of a set of genes required for this process^{34,35,36,37,38,39,40,41,42,43,44,45,46,47}. One of the activated genes is an inhibitor of cyclin-dependent kinases. Apoptosis induction seems to be mediated either by stimulation of BAX and FAS antigen expression, or by repression of Bcl-2 expression^48,49. Its pro-apoptotic activity is activated via its interaction with PPP1R13B/ASPP1 or TP53BP2/ASPP2⁵⁰. However, this activity is inhibited when the interaction with PPP1R13B/ASPP1 or TP53BP2/ASPP2 is displaced by PPP1R13L/iASPP⁵¹. In cooperation with mitochondrial PPIF is involved in activating oxidative stress-induced necrosis; the function is largely independent of transcription. Induces the transcription of long intergenic non-coding RNA p21 (lincRNA-p21) and lincRNA-Mkln1. LincRNA-p21 participates in TP53-dependent transcriptional repression leading to apoptosis and seems to have an effect on cell-cycle regulation. Implicated in Notch signaling cross-over. Prevents CDK7 kinase activity when associated to CAK complex in response to DNA damage, thus stopping cell cycle progression. Isoform 2 enhances the transactivation activity of isoform 1 from some but not all TP53-inducible promoters. Isoform 4 suppresses transactivation activity and impairs growth suppression mediated by isoform 1. Isoform 7 inhibits isoform 1-mediated apoptosis. Regulates the circadian clock by repressing CLOCK-BMAL1-mediated transcriptional activation of PER2⁵².

AlphaFold DB , UniProt , Accession P04637-3 (canonical: P04637), Species HUMAN (Homo sapiens, Human), Gene TP53, Length 346 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	38.5	Very low	42.1	Very low	245 Å²	245	160.3 Å²	160.3	100%	1.207	87%	0.868	S	S	*	*				0	132.9	0	-116.1	164.5	-164.1	0	0	106.1
2	E	44.8	Very low	42.5	Very low	196 Å²	196	156.3 Å²	156.3	92%	0.916	86%	0.857	S	S	*	*			trans	-60.2	140.7	-151.4	-66.6	154.5	105.8	0	0	116.2
3	E	46.1	Very low	43	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	86%	0.855	S	S	*	*			trans	-104.6	140.9	153.2	-89.8	-166.3	117.7	0	0	108.4
4	P	46.9	Very low	43.5	Very low	126 Å²	126	153.1 Å²	153.1	82%	0.818	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-92.1	159.6	180	35.6	-30.6	0	0	0	113.7
5	Q	40.5	Very low	44.2	Very low	194 Å²	194	146.9 Å²	146.9	91%	0.907	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.6	148.6	-163.6	-70.5	158.6	-76.8	0	0	116.8
6	S	42.7	Very low	44.4	Very low	111 Å²	111	148.9 Å²	148.9	78%	0.776	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.4	139.6	164.2	50.2	0	0	0	0	113.2
7	D	39	Very low	44.7	Very low	161 Å²	161	149.1 Å²	149.1	86%	0.861	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-103.5	121	171.9	-157.3	-0.9	0	0	0	109.6
8	P	38.2	Very low	45.4	Very low	113 Å²	113	144.6 Å²	144.6	73%	0.734	79%	0.791	S	S	*	*			trans	-127.7	113.7	169	34.3	-17.4	0	0	0	111.5
9	S	40.2	Very low	45.5	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	78%	0.782	S	S	*	*			trans	-140.1	95.7	157.7	-166.2	0	0	0	0	109.8
10	V	41.9	Very low	46	Very low	141 Å²	141	140.7 Å²	140.7	86%	0.855	77%	0.767	S	S	*	*			trans	-109.7	107.1	164.3	174.2	0	0	0	0	105.4
11	E	43.8	Very low	46.8	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-67.9	135.1	172.1	-86.1	-176.6	132.3	0	0	110.8
12	P	47.4	Very low	47.8	Very low	112 Å²	112	132.1 Å²	132.1	73%	0.727	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-80.5	153.4	172.1	32.5	-30.7	0	0	0	111.2
13	P	49.5	Very low	48.5	Very low	128 Å²	128	131.7 Å²	131.7	83%	0.831	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-70.7	134.6	-175.5	28.9	-32.6	0	0	0	111.7
14	L	49	Very low	49.3	Very low	140 Å²	140	130 Å²	130	73%	0.733	71%	0.705	S	S	*	*			trans	-33.1	125.5	177.9	-73.6	142.4	0	0	0	114.4	T18	L14-T18 HydrophobicContact CD2-CG2 3.67Å
15	S	54.8	Low	49.9	Very low	61 Å²	61	130.9 Å²	130.9	43%	0.427	70%	0.702	S	S	.	*			trans	-70.9	157.8	177.2	83.2	0	0	0	0	112	E17 T18	S15-E17 PolarHBondContact O-N 3.27Å; S15-T18 PolarHBondContact O-N 2.83Å; S15-T18 VanDerWaalsContact O-N 3.14Å
16	Q	46.8	Very low	50.1	Low	178 Å²	178	126.6 Å²	126.6	83%	0.832	69%	0.685	S	S	*	*	H	α-helix	trans	-57.7	-19.8	179.2	-164.9	173.7	14.5	0	0	113.6
17	E	49.2	Very low	50.7	Low	153 Å²	153	127 Å²	127	72%	0.715	68%	0.684	S	S	*	*	H	α-helix	trans	-75.1	-35	179.3	-61.1	-177.4	160.4	0	0	112	S15 F19 S20	S15-E17 PolarHBondContact O-N 3.27Å; E17-F19 PolarHBondContact O-N 2.72Å; E17-S20 PolarHBondContact O-N 3.28Å; E17-S20 VanDerWaalsContact O-N 3.08Å
18	T	57.5	Low	50.8	Low	68 Å²	68	128.5 Å²	128.5	42%	0.417	69%	0.686	S	S	.	*	H	α-helix	trans	-66.2	-25.9	177	-40	0	0	0	0	112.1	L14 S15	L14-T18 HydrophobicContact CD2-CG2 3.67Å; S15-T18 PolarHBondContact O-N 2.83Å; S15-T18 VanDerWaalsContact O-N 3.14Å
19	F	48.1	Very low	50.9	Low	141 Å²	141	130 Å²	130	62%	0.618	69%	0.688	S	S	*	*	H	α-helix	trans	-73.1	-31.7	173.9	-109.4	-90.2	0	0	0	112.8	E17	E17-F19 PolarHBondContact O-N 2.72Å
20	S	55.5	Low	50.6	Low	70 Å²	70	133.1 Å²	133.1	49%	0.49	70%	0.696	S	S	.	*	H	α-helix	trans	-70.8	-33.4	179.8	-91.6	0	0	0	0	112.9	E17 W23 K24	E17-S20 PolarHBondContact O-N 3.28Å; E17-S20 VanDerWaalsContact O-N 3.08Å; S20-W23 PolarHBondContact O-N 2.78Å; S20-K24 WeakPolarHBondContact O-CG 3.23Å; S20-K24 PolarHBondContact O-N 2.89Å
21	D	62.1	Low	50.2	Low	90 Å²	90	131.7 Å²	131.7	48%	0.481	69%	0.687	S	S	.	*	H	α-helix	trans	-75.8	-29	179.1	-69.9	-24.1	0	0	0	112.6	W23 K24 L25	D21-W23 VanDerWaalsContact C-N 3.28Å; D21-W23 PolarHBondContact O-N 3.05Å; D21-K24 PolarHBondContact O-N 3.22Å; D21-K24 IonicContact OD1-NZ 2.84Å; D21-K24 PolarHBondContact OD1-NZ 3.29Å; D21-L25 PolarHBondContact O-N 2.7Å
22	L	60.5	Low	49.9	Very low	115 Å²	115	131.6 Å²	131.6	60%	0.602	69%	0.692	S	S	*	*	H	α-helix	trans	-65.8	-32.1	174.4	-142.5	153.4	0	0	0	111.9
23	W	59.4	Low	49.2	Very low	187 Å²	187	130.7 Å²	130.7	71%	0.708	69%	0.688	S	S	*	*	H	α-helix	trans	-76.4	-23.1	174.7	-83.4	102.5	0	0	0	114.1	S20 D21 L25 L26	S20-W23 PolarHBondContact O-N 2.78Å; D21-W23 VanDerWaalsContact C-N 3.28Å; D21-W23 PolarHBondContact O-N 3.05Å; W23-L25 VanDerWaalsContact C-N 3.31Å; W23-L26 HydrophobicContact CE3-CD1 3.87Å; W23-L26 HydrophobicContact CZ3-CD1 3.96Å
24	K	63.3	Low	48.4	Very low	154 Å²	154	130.9 Å²	130.9	67%	0.67	69%	0.689	S	S	*	*	H	α-helix	trans	-79.7	-13.4	175.9	-66.6	173.3	-165.3	157.1	0	113.3	S20 D21	S20-K24 WeakPolarHBondContact O-CG 3.23Å; S20-K24 PolarHBondContact O-N 2.89Å; D21-K24 PolarHBondContact O-N 3.22Å; D21-K24 IonicContact OD1-NZ 2.84Å; D21-K24 PolarHBondContact OD1-NZ 3.29Å
25	L	58	Low	47.8	Very low	145 Å²	145	132.2 Å²	132.2	76%	0.759	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-0.8	179.8	-71.9	168.5	0	0	0	113.6	D21 W23	D21-L25 PolarHBondContact O-N 2.7Å; W23-L25 VanDerWaalsContact C-N 3.31Å
26	L	45	Very low	46.8	Very low	104 Å²	104	134.8 Å²	134.8	55%	0.545	71%	0.712	S	S	.	*	S	Bend	trans	-90.4	121.5	178.2	-72.1	170.6	0	0	0	110.6	W23 E28	W23-L26 HydrophobicContact CE3-CD1 3.87Å; W23-L26 HydrophobicContact CZ3-CD1 3.96Å; L26-E28 PolarHBondContact O-N 3.45Å
27	P	54.8	Low	45.9	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	71%	0.711	S	S	*	*			trans	-66.9	129.2	-176.6	23.3	-30.4	0	0	0	112.2	N29	P27-N29 VanDerWaalsContact C-N 3.31Å; P27-N29 PolarHBondContact O-N 3.28Å
28	E	42.3	Very low	45.3	Very low	193 Å²	193	133.6 Å²	133.6	90%	0.902	72%	0.719	S	S	*	*			trans	-75.4	75.7	170.9	-65.8	-171.4	154.7	0	0	110.3	L26	L26-E28 PolarHBondContact O-N 3.45Å
29	N	39.7	Very low	44.2	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	73%	0.728	S	S	*	*			trans	-159.5	107	157.1	-110.5	-22.1	0	0	0	112.7	P27 V31	P27-N29 VanDerWaalsContact C-N 3.31Å; P27-N29 PolarHBondContact O-N 3.28Å; N29-V31 VanDerWaalsContact C-N 3.29Å; N29-V31 PolarHBondContact O-N 3.04Å
30	N	33.6	Very low	43.4	Very low	175 Å²	175	135.2 Å²	135.2	94%	0.936	74%	0.738	S	S	*	*			trans	-68.8	79.1	168.5	-84.7	-43.8	0	0	0	110.7
31	V	35	Very low	42.2	Very low	110 Å²	110	139.1 Å²	139.1	67%	0.667	75%	0.754	S	S	*	*			trans	-138.7	85	165.1	-169.9	0	0	0	0	109.5	N29	N29-V31 VanDerWaalsContact C-N 3.29Å; N29-V31 PolarHBondContact O-N 3.04Å
32	L	35.8	Very low	40.9	Very low	175 Å²	175	141.6 Å²	141.6	92%	0.916	77%	0.767	S	S	*	*			trans	-113.7	98.2	160.2	-87.4	163.3	0	0	0	108
33	S	33.5	Very low	39.7	Very low	94 Å²	94	142.9 Å²	142.9	66%	0.657	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-64.5	135.6	166.3	-58.6	0	0	0	0	109.3	L35	S33-L35 PolarHBondContact O-N 3.31Å
34	P	33.6	Very low	38.4	Very low	131 Å²	131	141.1 Å²	141.1	85%	0.851	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-77.3	117.5	-177.4	7.1	5.8	0	0	0	110.8
35	L	35.9	Very low	37	Very low	168 Å²	168	141.4 Å²	141.4	88%	0.88	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.2	138.7	166.4	-89.6	146.5	0	0	0	110.2	S33	S33-L35 PolarHBondContact O-N 3.31Å
36	P	32.6	Very low	35.7	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.7	147.5	-170.3	32.6	-32.9	0	0	0	112.7	Q38	P36-Q38 PolarHBondContact O-N 3.05Å
37	S	28.9	Very low	35.2	Very low	117 Å²	117	139.4 Å²	139.4	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.1	118.4	173.1	49	0	0	0	0	113.1
38	Q	36.8	Very low	34.5	Very low	189 Å²	189	140 Å²	140	88%	0.883	78%	0.784	S	S	*	*			trans	-146	131.1	151.7	-78.9	-164.3	-30.1	0	0	111.1	P36	P36-Q38 PolarHBondContact O-N 3.05Å
39	A	33.8	Very low	34.4	Very low	73 Å²	73	138.8 Å²	138.8	60%	0.603	78%	0.784	S	S	*	*			trans	57.9	99.4	146.2	0	0	0	0	0	117.4
40	M	32.4	Very low	34.5	Very low	170 Å²	170	139.3 Å²	139.3	84%	0.837	79%	0.785	S	S	*	*				66.5	118.6	82	83.6	-144.6	177.9	0	0	113.4
41	D	30.4	Very low	34.8	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	78%	0.78	S	S	*	*			trans	46.2	104.3	161.9	-74	-47.5	0	0	0	117.2
42	D	33.7	Very low	35.1	Very low	142 Å²	142	143.3 Å²	143.3	76%	0.759	79%	0.791	S	S	*	*				177.9	135.5	111.9	-110.7	-31.7	0	0	0	112.7
43	L	36.5	Very low	35.2	Very low	142 Å²	142	146.3 Å²	146.3	74%	0.743	79%	0.79	S	S	*	*			trans	72.6	101.7	148.8	-53.6	170.6	0	0	0	118
44	M	32.1	Very low	35.3	Very low	151 Å²	151	151 Å²	151	74%	0.744	80%	0.799	S	S	*	*				69	99.5	88.3	-67	-93.4	85.6	0	0	113.9
45	L	32.7	Very low	35.5	Very low	159 Å²	159	151.5 Å²	151.5	83%	0.832	80%	0.799	S	S	*	*			trans	36.4	106.8	136.6	-61.6	164.9	0	0	0	118
46	S	31.6	Very low	35.4	Very low	91 Å²	91	152.4 Å²	152.4	64%	0.636	80%	0.799	S	S	*	*			trans	-148.8	131.1	138	-160.7	0	0	0	0	111.4	D48	S46-D48 PolarHBondContact O-N 2.8Å; S46-D48 PolarHBondContact OG-OD2 2.77Å
47	P	33.8	Very low	35.8	Very low	116 Å²	116	154.6 Å²	154.6	75%	0.753	80%	0.804	S	S	*	*			trans	-90.5	85.3	173.5	33.7	-27.7	0	0	0	110.9
48	D	40.6	Very low	36.2	Very low	133 Å²	133	154.6 Å²	154.6	71%	0.711	80%	0.802	S	S	*	*			trans	-130.2	4.2	176.4	-68.8	-60.9	0	0	0	114.3	S46	S46-D48 PolarHBondContact O-N 2.8Å; S46-D48 PolarHBondContact OG-OD2 2.77Å
49	D	39.9	Very low	36.2	Very low	167 Å²	167	149.2 Å²	149.2	89%	0.893	80%	0.797	S	S	*	*	S	Bend	trans	-98.6	14.5	-179.4	-94.2	-55	0	0	0	114.2
50	I	41.1	Very low	36.7	Very low	155 Å²	155	151.8 Å²	151.8	80%	0.795	81%	0.807	S	S	*	*	S	Bend	trans	-118.2	49.5	-178.6	-53.8	167.2	0	0	0	110.3
51	E	40.8	Very low	37.3	Very low	181 Å²	181	151.1 Å²	151.1	85%	0.846	81%	0.807	S	S	*	*	S	Bend	trans	-144.3	3	168.9	-82.4	-143.8	149.8	0	0	116
52	Q	40	Very low	38	Very low	189 Å²	189	152 Å²	152	88%	0.883	81%	0.807	S	S	*	*	S	Bend	trans	-97.1	1.5	-173.5	-111.6	174	40.9	0	0	116.8
53	W	39.4	Very low	38.6	Very low	238 Å²	238	149.8 Å²	149.8	90%	0.902	81%	0.808	S	S	*	*	S	Bend	trans	-108.5	5.8	-174.6	-76.7	5.5	0	0	0	115.8
54	F	34.1	Very low	38.6	Very low	193 Å²	193	149.2 Å²	149.2	85%	0.846	81%	0.812	S	S	*	*			trans	-141.8	85.9	178.8	-69.6	-81.1	0	0	0	111.9
55	T	37.7	Very low	39.1	Very low	140 Å²	140	154 Å²	154	86%	0.859	82%	0.823	S	S	*	*			trans	-151.5	110.6	155	-48.5	0	0	0	0	110.1
56	E	35.1	Very low	40	Very low	187 Å²	187	155.1 Å²	155.1	87%	0.874	83%	0.825	S	S	*	*			trans	-73.4	150.5	167.6	-66.4	172.2	92.6	0	0	110.8
57	D	40.4	Very low	40.4	Very low	162 Å²	162	156.2 Å²	156.2	87%	0.866	83%	0.83	S	S	*	*			trans	-142.6	125	157.8	-160.3	14.3	0	0	0	109.7
58	P	38	Very low	40.6	Very low	118 Å²	118	159.8 Å²	159.8	77%	0.766	84%	0.837	S	S	*	*			trans	-107.1	142.6	178.6	36.3	-26.5	0	0	0	112.6
59	G	37.1	Very low	40.8	Very low	75 Å²	75	157.8 Å²	157.8	77%	0.773	84%	0.839	S	S	*	*			trans	176.8	149.2	164.1	0	0	0	0	0	115.3
60	P	42.9	Very low	41.3	Very low	127 Å²	127	154.5 Å²	154.5	83%	0.825	84%	0.835	S	S	*	*			trans	-124	154.1	-134.6	36.6	-21.8	0	0	0	114.9
61	D	46.4	Very low	42.2	Very low	157 Å²	157	152.5 Å²	152.5	84%	0.84	83%	0.832	S	S	*	*			trans	-170.4	154.2	137.2	-134	-23.8	0	0	0	114.7
62	E	43.5	Very low	42.7	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	83%	0.83	S	S	*	*			trans	79.7	86.3	160.1	-71	-168.2	92.6	0	0	122.6
63	A	47.5	Very low	43.4	Very low	95 Å²	95	147.8 Å²	147.8	79%	0.785	83%	0.83	S	S	*	*				65.4	143.1	118.6	0	0	0	0	0	122.9
64	P	36.7	Very low	44.1	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	82%	0.819	S	S	*	*			trans	-105.8	143.4	-157.1	37.3	-25.5	0	0	0	114
65	R	41.6	Very low	45	Very low	253 Å²	253	137 Å²	137	96%	0.955	82%	0.818	S	S	*	*			trans	-139.1	133.6	162.2	-124.7	174.2	-176.4	173.1	1.1	112.1
66	M	52.9	Low	45.9	Very low	181 Å²	181	134.7 Å²	134.7	89%	0.892	81%	0.812	S	S	*	*			trans	-63.8	166.8	-165.5	-84	-86.2	-179.3	0	0	116
67	P	39.7	Very low	46.9	Very low	114 Å²	114	131.7 Å²	131.7	74%	0.74	81%	0.809	S	S	*	*			trans	-94.6	142.2	-152.1	36.4	-32.4	0	0	0	112.6
68	E	38.1	Very low	47.4	Very low	191 Å²	191	128.6 Å²	128.6	89%	0.893	81%	0.806	S	S	*	*			trans	-144.4	129.8	168.3	-158.1	158.2	147.1	0	0	113.4
69	A	43.7	Very low	48.3	Very low	91 Å²	91	127.1 Å²	127.1	75%	0.752	80%	0.804	S	S	*	*			trans	65.8	106.9	160.3	0	0	0	0	0	119.3
70	A	50.1	Low	49.2	Very low	98 Å²	98	129.5 Å²	129.5	81%	0.81	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.8	133.6	166.7	0	0	0	0	0	112
71	P	60.3	Low	49.7	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.3	154.4	169.6	33	-31.3	0	0	0	110.3
72	P	52.1	Low	50.2	Low	124 Å²	124	127.7 Å²	127.7	81%	0.805	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.7	142.8	-173.5	29.3	-34	0	0	0	111.4	A74	P72-A74 PolarHBondContact O-N 2.98Å
73	V	54.7	Low	50.7	Low	146 Å²	146	124.4 Å²	124.4	89%	0.885	80%	0.802	S	S	*	*			trans	-56.2	109.2	173.9	178.6	0	0	0	0	109.2
74	A	53.8	Low	51.1	Low	80 Å²	80	124 Å²	124	66%	0.661	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.2	144.1	170.6	0	0	0	0	0	109.9	P72	P72-A74 PolarHBondContact O-N 2.98Å
75	P	51.9	Low	51.9	Low	126 Å²	126	123.8 Å²	123.8	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.5	137.3	-177.5	16.5	-11	0	0	0	110.3
76	A	57.4	Low	52.6	Low	90 Å²	90	116 Å²	116	74%	0.744	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-51.9	138.8	178	0	0	0	0	0	111.6	A78	A76-A78 PolarHBondContact O-N 2.85Å
77	P	55.8	Low	52.9	Low	125 Å²	125	113.1 Å²	113.1	81%	0.812	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.7	131.6	176.5	27.5	-31.4	0	0	0	108.9	A79	P77-A79 PolarHBondContact O-N 3.24Å
78	A	51.8	Low	53.9	Low	97 Å²	97	111.6 Å²	111.6	80%	0.802	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-55	126.2	174.4	0	0	0	0	0	109.4	A76	A76-A78 PolarHBondContact O-N 2.85Å
79	A	56.4	Low	55.2	Low	87 Å²	87	105.4 Å²	105.4	72%	0.719	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-51.8	136	176.6	0	0	0	0	0	110.3	P77 T81	P77-A79 PolarHBondContact O-N 3.24Å; A79-T81 PolarHBondContact O-N 2.79Å; A79-T81 VanDerWaalsContact O-N 3.13Å
80	P	55.4	Low	56.8	Low	124 Å²	124	106.7 Å²	106.7	81%	0.805	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62.6	121.3	177.4	25.7	-31.1	0	0	0	108.4
81	T	53.9	Low	58.6	Low	127 Å²	127	107.8 Å²	107.8	78%	0.779	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-51.9	135.9	170.4	2.3	0	0	0	0	108.8	A79 A83	A79-T81 PolarHBondContact O-N 2.79Å; A79-T81 VanDerWaalsContact O-N 3.13Å; T81-A83 PolarHBondContact O-N 3.36Å
82	P	56.3	Low	60.1	Low	120 Å²	120	105.7 Å²	105.7	78%	0.779	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-55.5	119.9	175.2	-19.6	29.9	0	0	0	108.6	A84	P82-A84 PolarHBondContact O-N 2.92Å; P82-A84 VanDerWaalsContact O-N 3.12Å
83	A	55.8	Low	62	Low	100 Å²	100	104.9 Å²	104.9	83%	0.826	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-53.2	123	173.9	0	0	0	0	0	108.2	T81	T81-A83 PolarHBondContact O-N 3.36Å
84	A	54.2	Low	63.9	Low	86 Å²	86	98.1 Å²	98.1	71%	0.711	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-53.4	139.3	177.3	0	0	0	0	0	109.4	P82 A86	P82-A84 PolarHBondContact O-N 2.92Å; P82-A84 VanDerWaalsContact O-N 3.12Å; A84-A86 PolarHBondContact O-N 3.32Å
85	P	54.5	Low	65.7	Low	125 Å²	125	99.5 Å²	99.5	81%	0.812	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-57	127.7	179.1	22	-30.1	0	0	0	108.8
86	A	57.1	Low	67.6	Low	89 Å²	89	95.9 Å²	95.9	74%	0.736	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-51	135.7	178.8	0	0	0	0	0	109.6	A84 A88	A84-A86 PolarHBondContact O-N 3.32Å; A86-A88 PolarHBondContact O-N 3.36Å
87	P	58.2	Low	69.5	Low	121 Å²	121	94.6 Å²	94.6	79%	0.786	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-56.7	134	-179.9	21.2	-29.9	0	0	0	109.1
88	A	60.9	Low	71.4	Confident	82 Å²	82	90.5 Å²	90.5	68%	0.678	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-53.8	141.7	173.8	0	0	0	0	0	109	A86 S90	A86-A88 PolarHBondContact O-N 3.36Å; A88-S90 PolarHBondContact O-N 2.85Å
89	P	64.1	Low	73.5	Confident	61 Å²	61	88.6 Å²	88.6	40%	0.396	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-56.9	118.4	179.9	23.3	-32.6	0	0	0	109.4	W91 P177	P89-W91 PolarHBondContact O-N 3.45Å; P89-W91 VanDerWaalsContact O-N 3.12Å; P89-P177 HydrophobicContact CG-CG 4.2Å
90	S	78.8	Confident	75.3	Confident	118 Å²	118	88.5 Å²	88.5	83%	0.825	58%	0.58	S	S	*	*			trans	-85.2	83.4	-175.5	59.3	0	0	0	0	110.2	A88	A88-S90 PolarHBondContact O-N 2.85Å
91	W	87.3	Confident	77.3	Confident	121 Å²	121	90.3 Å²	90.3	46%	0.458	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-86.2	146.2	171.7	-62.6	109.4	0	0	0	110.9	P89	P89-W91 PolarHBondContact O-N 3.45Å; P89-W91 VanDerWaalsContact O-N 3.12Å
92	P	91.2	Very high	79.4	Confident	71 Å²	71	87.9 Å²	87.9	46%	0.461	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-62.6	140.1	175.6	27.4	-34	0	0	0	110.6	F212	P92-F212 HydrophobicContact CB-CD2 4.14Å; P92-F212 HydrophobicContact CB-CE2 4.12Å; P92-F212 HydrophobicContact CG-CD1 4.49Å; P92-F212 HydrophobicContact CG-CD2 4.15Å; P92-F212 HydrophobicContact CG-CE2 4.38Å; P92-F212 HydrophobicContact CG-CG 4.21Å
93	L	92.8	Very high	81.4	Confident	106 Å²	106	87.1 Å²	87.1	56%	0.555	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-77.4	149.4	170.9	-61.5	178.2	0	0	0	110	E171	L93-E171 HydrophobicContact CD2-CB 3.97Å; L93-E171 HydrophobicContact CD2-CG 4.15Å
94	S	94.1	Very high	83.4	Confident	5 Å²	5	87.5 Å²	87.5	4%	0.035	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-72.5	137.9	172.1	-164.6	0	0	0	0	110.5	S96 T170 T211 R213	S94-S96 PolarHBondContact O-N 3.13Å; S94-S96 PolarHBondContact OG-O 3.5Å; S94-S96 VanDerWaalsContact OG-O 3.11Å; S94-T170 WeakPolarHBondContact CA-O 3.45Å; S94-T170 WeakPolarHBondContact CB-O 3.46Å; S94-T170 PolarHBondContact N-O 2.67Å; S94-T211 WeakPolarHBondContact CB-O 3.39Å; S94-T211 PolarHBondContact OG-O 2.63Å; S94-R213 PolarHBondContact OG-NE 2.92Å
95	S	90.9	Very high	85.4	Confident	108 Å²	108	84.4 Å²	84.4	76%	0.755	50%	0.504	S	S	*	.	S	Bend	trans	-76.1	-8.8	175.3	57.4	0	0	0	0	113.6
96	S	93.8	Very high	87.4	Confident	50 Å²	50	83.3 Å²	83.3	35%	0.35	50%	0.5	S	S	.	.			trans	-141.9	156.6	-177.4	69.5	0	0	0	0	112.3	S94 T211 R213	S94-S96 PolarHBondContact O-N 3.13Å; S94-S96 PolarHBondContact OG-O 3.5Å; S94-S96 VanDerWaalsContact OG-O 3.11Å; S96-T211 WeakPolarHBondContact OG-CG2 3.46Å; S96-R213 PolarHBondContact O-NE 2.82Å; S96-R213 PolarHBondContact O-NH2 2.96Å
97	V	95.7	Very high	89.3	Confident	64 Å²	64	81.5 Å²	81.5	39%	0.388	47%	0.474	S	S	.	.			trans	-115.7	121.5	173.9	-178.4	0	0	0	0	107.9	M169 T170	V97-M169 HydrophobicContact CG1-CB 4Å; V97-M169 HydrophobicContact CG1-CG 4.39Å; V97-M169 HydrophobicContact CG1-SD 4.13Å; V97-M169 HydrophobicContact CG2-CB 3.85Å; V97-T170 HydrophobicContact CG2-CG2 4.1Å
98	P	96	Very high	91.2	Very high	38 Å²	38	76 Å²	76	25%	0.247	44%	0.439	C	S	.	.			trans	-64.6	145	178.2	28.9	-36	0	0	0	110	Q100 M160 I162 I254	P98-Q100 PolarHBondContact O-N 3.42Å; P98-M160 HydrophobicContact CB-SD 4.4Å; P98-M160 HydrophobicContact CG-SD 3.93Å; P98-I162 HydrophobicContact CG-CG2 3.57Å; P98-I254 HydrophobicContact CB-CD1 4.48Å; P98-I254 HydrophobicContact CG-CD1 4.14Å
99	S	96.1	Very high	93	Very high	58 Å²	58	72.1 Å²	72.1	41%	0.406	41%	0.407	S	S	.	.			trans	-64	132.1	177.3	173.1	0	0	0	0	110.8	K101 R267	S99-K101 PolarHBondContact OG-N 3.15Å; S99-R267 WeakPolarHBondContact O-CD 3.37Å; S99-R267 PolarHBondContact O-NE 3.32Å; S99-R267 VanDerWaalsContact O-NE 3.14Å; S99-R267 PolarHBondContact OG-NH2 3.4Å; S99-R267 VanDerWaalsContact OG-NH2 3.1Å
100	Q	94.6	Very high	94.6	Very high	85 Å²	85	73 Å²	73	40%	0.397	40%	0.403	S	S	.	.			trans	-97	1.1	173.9	66.6	-172.9	18	0	0	113.1	P98 T102 I254	P98-Q100 PolarHBondContact O-N 3.42Å; Q100-T102 PolarHBondContact O-N 2.95Å; Q100-I254 HydrophobicContact CB-CD1 4.26Å
101	K	96.8	Very high	95.5	Very high	162 Å²	162	68.5 Å²	68.5	70%	0.704	37%	0.369	S	S	*	.			trans	-68.5	121.2	-175.6	-176.9	177.2	179.5	179.4	0	110.4	S99 Y103 R267	S99-K101 PolarHBondContact OG-N 3.15Å; K101-Y103 PolarHBondContact O-N 3.41Å; K101-R267 PolarHBondContact O-NE 3.04Å; K101-R267 PolarHBondContact O-NH2 3.25Å; K101-R267 VanDerWaalsContact O-NH2 3.15Å
102	T	97.8	Very high	96	Very high	76 Å²	76	63.3 Å²	63.3	47%	0.466	35%	0.353	S	S	.	.			trans	-56.3	132.6	173	-56.9	0	0	0	0	110.5	Q100 R267 N268	Q100-T102 PolarHBondContact O-N 2.95Å; T102-R267 CarbonylContact C-O 3.48Å; T102-R267 WeakPolarHBondContact CA-O 3.38Å; T102-N268 PolarHBondContact OG1-OD1 3.29Å
103	Y	98.1	Very high	96.4	Very high	103 Å²	103	61 Å²	61	40%	0.404	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-146.3	109.1	-177.3	172.8	-120.5	0	0	0	108.4	K101 G105 L264 G266 R267	K101-Y103 PolarHBondContact O-N 3.41Å; Y103-G105 VanDerWaalsContact C-N 3.32Å; Y103-L264 HydrophobicContact CD1-CD2 3.94Å; Y103-L264 HydrophobicContact CD1-CG 4.26Å; Y103-L264 HydrophobicContact CE1-CD2 4.45Å; Y103-G266 CarbonylContact O-C 3.5Å; Y103-G266 VanDerWaalsContact O-CA 3.3Å; Y103-G266 WeakPolarHBondContact O-CA 3.35Å; Y103-R267 PolarHBondContact N-O 3.42Å; Y103-R267 PolarHBondContact O-N 3.28Å
104	Q	97.8	Very high	96.5	Very high	108 Å²	108	59.9 Å²	59.9	51%	0.505	33%	0.33	S	S	.	.			trans	-73	-29.1	179.9	-67.7	-179.3	-18.3	0	0	112.3	G108 F109	Q104-G108 PolarHBondContact O-N 3.27Å; Q104-F109 WeakPolarHBondContact CA-O 3.48Å; Q104-F109 WeakPolarHBondContact O-CB 3.47Å; Q104-F109 PolarHBondContact O-N 2.99Å
105	G	96.3	Very high	96.2	Very high	22 Å²	22	68.4 Å²	68.4	23%	0.227	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-168.5	-175.8	0	0	0	0	0	114.1	Y103 Y107 G108 L265	Y103-G105 VanDerWaalsContact C-N 3.32Å; G105-Y107 PolarHBondContact O-N 3.24Å; G105-G108 PolarHBondContact O-N 2.7Å; G105-L265 WeakPolarHBondContact CA-O 3.3Å
106	S	97	Very high	96	Very high	102 Å²	102	65.1 Å²	65.1	71%	0.713	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.1	-174.2	-50.6	0	0	0	0	114.1
107	Y	97.6	Very high	95.9	Very high	50 Å²	50	65 Å²	65	20%	0.196	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	5	-176.4	-52.8	-76.5	0	0	0	113	G105 F109 V147 D148 S149 P151 P152 L265	G105-Y107 PolarHBondContact O-N 3.24Å; Y107-F109 VanDerWaalsContact C-N 3.29Å; Y107-F109 PolarHBondContact O-N 2.97Å; Y107-V147 CarbonylContact O-C 3.52Å; Y107-V147 VanDerWaalsContact O-CA 3.3Å; Y107-V147 WeakPolarHBondContact O-CA 3.33Å; Y107-V147 WeakPolarHBondContact O-CB 3.35Å; Y107-D148 PolarHBondContact O-N 3.28Å; Y107-S149 WeakPolarHBondContact CD1-OG 3.45Å; Y107-P151 HydrophobicContact CD1-CB 4.13Å; Y107-P151 HydrophobicContact CD2-CB 4.3Å; Y107-P151 HydrophobicContact CE1-CB 4.28Å; Y107-P151 HydrophobicContact CE2-CB 4.44Å; Y107-P151 HydrophobicContact CG-CB 4.16Å; Y107-P152 VanDerWaalsContact OH-CD 3.25Å; Y107-P152 WeakPolarHBondContact OH-CD 3.42Å; Y107-P152 VanDerWaalsContact OH-CG 3.31Å; Y107-P152 WeakPolarHBondContact OH-CG 3.41Å; Y107-L265 HydrophobicContact CD2-CB 4.16Å; Y107-L265 HydrophobicContact CD2-CD1 4.48Å; Y107-L265 HydrophobicContact CE2-CB 4.2Å; Y107-L265 HydrophobicContact CE2-CD1 4Å; Y107-L265 HydrophobicContact CE2-CD2 4.16Å; Y107-L265 HydrophobicContact CE2-CG 4.35Å
108	G	97.6	Very high	95.8	Very high	6 Å²	6	63.5 Å²	63.5	6%	0.062	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	27.3	178.3	0	0	0	0	0	114.2	Q104 G105 R110 D148	Q104-G108 PolarHBondContact O-N 3.27Å; G105-G108 PolarHBondContact O-N 2.7Å; G108-R110 PolarHBondContact O-N 3.4Å; G108-R110 PolarHBondContact O-NH1 3.25Å; G108-D148 WeakPolarHBondContact CA-OD2 3.25Å
109	F	98.3	Very high	95.7	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.352	C	S	.	.			trans	-58.7	121.5	-172.9	178.1	-109.7	0	0	0	112.2	Q104 Y107 L111 L145 W146 V147 I255 L257 N268	Q104-F109 WeakPolarHBondContact CA-O 3.48Å; Q104-F109 WeakPolarHBondContact O-CB 3.47Å; Q104-F109 PolarHBondContact O-N 2.99Å; Y107-F109 VanDerWaalsContact C-N 3.29Å; Y107-F109 PolarHBondContact O-N 2.97Å; F109-L111 HydrophobicContact CE1-CD2 4.41Å; F109-L111 HydrophobicContact CE2-CD2 4.41Å; F109-L111 HydrophobicContact CZ-CD2 3.79Å; F109-L145 HydrophobicContact CE2-CB 4.33Å; F109-L145 HydrophobicContact CE2-CD2 4.04Å; F109-L145 HydrophobicContact CZ-CD2 4.23Å; F109-W146 WeakPolarHBondContact CA-O 3.34Å; F109-V147 HydrophobicContact CD2-CG1 4.24Å; F109-I255 HydrophobicContact CZ-CG2 3.9Å; F109-L257 HydrophobicContact CB-CD2 4.22Å; F109-L257 HydrophobicContact CD1-CB 4.22Å; F109-L257 HydrophobicContact CD2-CB 4.04Å; F109-L257 HydrophobicContact CD2-CD2 4Å; F109-L257 HydrophobicContact CD2-CG 4.43Å; F109-L257 HydrophobicContact CE1-CB 4.35Å; F109-L257 HydrophobicContact CE2-CB 4.19Å; F109-L257 HydrophobicContact CG-CB 4.04Å; F109-L257 HydrophobicContact CG-CD2 4.21Å; F109-L257 HydrophobicContact CZ-CB 4.34Å; F109-N268 HydrophobicContact CE1-CB 4.49Å
110	R	98.1	Very high	95.5	Very high	80 Å²	80	70.2 Å²	70.2	30%	0.302	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.4	176.2	64.6	-167.7	168.9	-91.1	6.9	110.8	G108 W146 D148	G108-R110 PolarHBondContact O-N 3.4Å; G108-R110 PolarHBondContact O-NH1 3.25Å; R110-W146 HydrophobicContact CG-CB 3.55Å; R110-W146 HydrophobicContact CG-CG 4.37Å; R110-W146 PolarHBondContact N-O 3.24Å; R110-W146 PolarHBondContact O-N 3.46Å; R110-D148 IonicContact CZ-OD1 2.73Å; R110-D148 VanDerWaalsContact CZ-OD1 3.25Å; R110-D148 VanDerWaalsContact NH1-CG 3.3Å; R110-D148 IonicContact NH1-OD1 3.53Å; R110-D148 PolarHBondContact NH1-OD1 2.86Å; R110-D148 IonicContact NH1-OD2 2.95Å; R110-D148 PolarHBondContact NH1-OD2 2.89Å; R110-D148 IonicContact NH2-OD1 2.6Å; R110-D148 PolarHBondContact NH2-OD1 2.88Å
111	L	98.4	Very high	95.5	Very high	24 Å²	24	71 Å²	71	13%	0.126	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.1	178.1	-59.1	178.3	0	0	0	110	F109 F113 V143 Q144 L145 I255 N268 F270	F109-L111 HydrophobicContact CE1-CD2 4.41Å; F109-L111 HydrophobicContact CE2-CD2 4.41Å; F109-L111 HydrophobicContact CZ-CD2 3.79Å; L111-F113 HydrophobicContact CB-CE2 4.14Å; L111-F113 HydrophobicContact CB-CZ 4.22Å; L111-F113 HydrophobicContact CD1-CZ 4.41Å; L111-V143 HydrophobicContact CD2-CG1 4Å; L111-Q144 CarbonylContact C-O 3.58Å; L111-Q144 WeakPolarHBondContact CA-O 3.35Å; L111-L145 HydrophobicContact CD2-CD2 3.63Å; L111-I255 HydrophobicContact CD1-CB 4.07Å; L111-I255 HydrophobicContact CD1-CG1 3.76Å; L111-I255 HydrophobicContact CD2-CB 4.11Å; L111-I255 HydrophobicContact CD2-CG1 4.23Å; L111-I255 HydrophobicContact CD2-CG2 4.12Å; L111-N268 HydrophobicContact CD1-CB 3.78Å; L111-N268 HydrophobicContact CG-CB 3.77Å; L111-F270 HydrophobicContact CD1-CD1 3.75Å; L111-F270 HydrophobicContact CD1-CE1 3.91Å
112	G	97.8	Very high	95.5	Very high	12 Å²	12	64.5 Å²	64.5	12%	0.124	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	157.8	168	0	0	0	0	0	110.5	Q144	G112-Q144 PolarHBondContact N-O 2.96Å; G112-Q144 WeakPolarHBondContact O-CB 3.41Å; G112-Q144 PolarHBondContact O-N 2.82Å
113	F	97.9	Very high	95.5	Very high	21 Å²	21	63.7 Å²	63.7	9%	0.092	36%	0.355	C	S	.	.			trans	-136	146.5	177.6	-57.7	-87	0	0	0	108.7	L111 H115 Y126 M133 V143 F270	L111-F113 HydrophobicContact CB-CE2 4.14Å; L111-F113 HydrophobicContact CB-CZ 4.22Å; L111-F113 HydrophobicContact CD1-CZ 4.41Å; F113-H115 PolarHBondContact O-N 2.87Å; F113-Y126 HydrophobicContact CB-CD1 3.66Å; F113-Y126 HydrophobicContact CB-CD2 4.28Å; F113-Y126 HydrophobicContact CB-CE1 4.32Å; F113-Y126 HydrophobicContact CB-CG 3.62Å; F113-Y126 AromaticContact CD1-CD2 3.93Å; F113-Y126 HydrophobicContact CD1-CD2 3.93Å; F113-Y126 HydrophobicContact CD1-CE2 4.4Å; F113-Y126 HydrophobicContact CD1-CG 4.12Å; F113-Y126 AromaticContact CD2-CD1 3.69Å; F113-Y126 HydrophobicContact CD2-CD1 3.69Å; F113-Y126 AromaticContact CD2-CD2 3.74Å; F113-Y126 HydrophobicContact CD2-CD2 3.74Å; F113-Y126 AromaticContact CD2-CE1 3.51Å; F113-Y126 HydrophobicContact CD2-CE1 3.51Å; F113-Y126 AromaticContact CD2-CE2 3.58Å; F113-Y126 HydrophobicContact CD2-CE2 3.58Å; F113-Y126 AromaticContact CD2-CG 3.79Å; F113-Y126 HydrophobicContact CD2-CG 3.79Å; F113-Y126 AromaticContact CD2-CZ 3.45Å; F113-Y126 VanDerWaalsContact CD2-CZ 3.45Å; F113-Y126 HydrophobicContact CE1-CD2 4.17Å; F113-Y126 HydrophobicContact CE1-CE2 4.33Å; F113-Y126 HydrophobicContact CE2-CD2 4.01Å; F113-Y126 HydrophobicContact CE2-CE1 4.12Å; F113-Y126 AromaticContact CE2-CE2 3.5Å; F113-Y126 HydrophobicContact CE2-CE2 3.5Å; F113-Y126 AromaticContact CE2-CZ 3.55Å; F113-Y126 AromaticContact CG-CD1 3.8Å; F113-Y126 HydrophobicContact CG-CD1 3.8Å; F113-Y126 AromaticContact CG-CD2 3.7Å; F113-Y126 HydrophobicContact CG-CD2 3.7Å; F113-Y126 HydrophobicContact CG-CE1 4.12Å; F113-Y126 HydrophobicContact CG-CE2 4.04Å; F113-Y126 AromaticContact CG-CG 3.56Å; F113-Y126 HydrophobicContact CG-CG 3.56Å; F113-Y126 HydrophobicContact CZ-CD2 4.21Å; F113-Y126 AromaticContact CZ-CE2 3.9Å; F113-Y126 HydrophobicContact CZ-CE2 3.9Å; F113-M133 HydrophobicContact CD1-CE 3.66Å; F113-M133 HydrophobicContact CE1-CE 3.58Å; F113-V143 HydrophobicContact CD1-CG2 4.48Å; F113-V143 HydrophobicContact CE1-CG1 4.25Å; F113-V143 HydrophobicContact CE1-CG2 4.07Å; F113-F270 HydrophobicContact CE1-CD1 4.02Å; F113-F270 HydrophobicContact CE1-CD2 4.17Å; F113-F270 HydrophobicContact CE1-CE1 4.05Å; F113-F270 HydrophobicContact CE1-CE2 4.2Å; F113-F270 HydrophobicContact CE1-CG 4.07Å; F113-F270 HydrophobicContact CE1-CZ 4.14Å; F113-F270 HydrophobicContact CZ-CB 4Å; F113-F270 AromaticContact CZ-CD1 3.53Å; F113-F270 HydrophobicContact CZ-CD1 3.53Å; F113-F270 HydrophobicContact CZ-CD2 4.2Å; F113-F270 AromaticContact CZ-CE1 3.97Å; F113-F270 HydrophobicContact CZ-CE1 3.97Å; F113-F270 AromaticContact CZ-CG 3.65Å; F113-F270 HydrophobicContact CZ-CG 3.65Å; F113-F270 HydrophobicContact CZ-CZ 4.47Å
114	L	94.7	Very high	95.5	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.435	34%	0.341	S	S	.	.			trans	-63	136.3	174.3	-61.2	-178.2	0	0	0	110	S116 P142	L114-S116 PolarHBondContact O-N 2.99Å; L114-P142 HydrophobicContact CD1-CB 4.08Å; L114-P142 HydrophobicContact CD1-CG 3.51Å; L114-P142 HydrophobicContact CG-CB 4.46Å; L114-P142 HydrophobicContact CG-CG 4.06Å
115	H	87.9	Confident	95.5	Very high	184 Å²	184	54.4 Å²	54.4	85%	0.852	32%	0.317	S	S	*	.			trans	-75	77.4	175.7	-70.6	90.1	0	0	0	109.9	F113	F113-H115 PolarHBondContact O-N 2.87Å
116	S	87.6	Confident	95.6	Very high	39 Å²	39	55.3 Å²	55.3	27%	0.273	31%	0.314	S	S	.	.			trans	-82.6	141	174.6	-61.1	0	0	0	0	110.5	L114 C124 T125 R282	L114-S116 PolarHBondContact O-N 2.99Å; S116-C124 PolarHBondContact OG-O 3.44Å; S116-T125 PolarHBondContact O-OG1 3.4Å; S116-R282 PolarHBondContact O-NH1 3.44Å
117	G	91.1	Very high	95.6	Very high	49 Å²	49	50.5 Å²	50.5	51%	0.505	28%	0.28	S	S	.	.			trans	-68.7	-169.5	168.4	0	0	0	0	0	112.7	T125	G117-T125 PolarHBondContact O-OG1 3.48Å
118	T	94	Very high	95.6	Very high	31 Å²	31	52 Å²	52	19%	0.19	30%	0.296	C	S	.	.			trans	-115	27	-179.9	66	0	0	0	0	112.5	G279 R282 R283	T118-G279 WeakPolarHBondContact CB-O 3.26Å; T118-R282 HydrophobicContact CG2-CG 4.23Å; T118-R283 HydrophobicContact CG2-CG 3.86Å; T118-R283 PolarHBondContact O-NH1 2.98Å; T118-R283 PolarHBondContact O-NH2 2.67Å; T118-R283 VanDerWaalsContact O-NH2 3.13Å; T118-R283 WeakPolarHBondContact OG1-CD 3.46Å; T118-R283 PolarHBondContact OG1-NH1 2.83Å
119	A	94.6	Very high	95.5	Very high	49 Å²	49	55 Å²	55	41%	0.405	32%	0.321	S	S	.	.			trans	-63.9	157.9	178.5	0	0	0	0	0	111.4	S121 V122	A119-S121 PolarHBondContact O-N 3.42Å; A119-V122 HydrophobicContact CB-CG2 3.95Å; A119-V122 WeakPolarHBondContact O-CG2 3.5Å; A119-V122 PolarHBondContact O-N 2.88Å
120	K	91.7	Very high	95.4	Very high	188 Å²	188	57 Å²	57	82%	0.817	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27	-178.6	-67.4	-177.2	-179.5	179.1	0	112.8	V122	K120-V122 VanDerWaalsContact C-N 3.31Å
121	S	94.3	Very high	95.4	Very high	103 Å²	103	56.3 Å²	56.3	72%	0.72	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8	179.4	52	0	0	0	0	114.2	A119 T123	A119-S121 PolarHBondContact O-N 3.42Å; S121-T123 PolarHBondContact O-N 3.15Å
122	V	96.5	Very high	95.4	Very high	25 Å²	25	55.7 Å²	55.7	15%	0.152	33%	0.33	C	S	.	.			trans	-72.9	121.2	-175.7	-177.6	0	0	0	0	110.1	A119 K120 C124	A119-V122 HydrophobicContact CB-CG2 3.95Å; A119-V122 WeakPolarHBondContact O-CG2 3.5Å; A119-V122 PolarHBondContact O-N 2.88Å; K120-V122 VanDerWaalsContact C-N 3.31Å; V122-C124 WeakPolarHBondContact CG1-O 3.12Å
123	T	97.4	Very high	95.4	Very high	59 Å²	59	55.2 Å²	55.2	36%	0.362	32%	0.324	S	S	.	.	S	Bend	trans	-84.6	-28	179.8	58.3	0	0	0	0	112.8	S121 C135 Q136 K139	S121-T123 PolarHBondContact O-N 3.15Å; T123-C135 CarbonylContact O-C 3.49Å; T123-C135 VanDerWaalsContact O-CA 3.27Å; T123-C135 WeakPolarHBondContact O-CA 3.47Å; T123-Q136 PolarHBondContact O-N 3.23Å; T123-K139 HydrophobicContact CG2-CG 4.34Å
124	C	98.1	Very high	95.4	Very high	14 Å²	14	54.2 Å²	54.2	10%	0.095	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	128.7	175.8	-176.4	0	0	0	0	110.7	S116 V122 F134 C135	S116-C124 PolarHBondContact OG-O 3.44Å; V122-C124 WeakPolarHBondContact CG1-O 3.12Å; C124-F134 CarbonylContact C-O 3.59Å; C124-F134 WeakPolarHBondContact CA-O 3.45Å; C124-C135 HydrophobicContact CB-CB 4.24Å
125	T	98.2	Very high	95.6	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.5	179.3	-168.2	0	0	0	0	110.6	S116 G117 F134 P278 R282	S116-T125 PolarHBondContact O-OG1 3.4Å; G117-T125 PolarHBondContact O-OG1 3.48Å; T125-F134 HydrophobicContact CG2-CB 3.92Å; T125-F134 PolarHBondContact N-O 3.35Å; T125-F134 PolarHBondContact O-N 3.29Å; T125-P278 HydrophobicContact CG2-CB 4.02Å; T125-R282 HydrophobicContact CG2-CB 4.06Å; T125-R282 PolarHBondContact OG1-NH1 3.28Å
126	Y	98.4	Very high	96.1	Very high	41 Å²	41	43.9 Å²	43.9	16%	0.161	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.8	-179.6	176	-102.6	0	0	0	110.5	F113 P128 N131 M133 F270 R282	F113-Y126 HydrophobicContact CB-CD1 3.66Å; F113-Y126 HydrophobicContact CB-CD2 4.28Å; F113-Y126 HydrophobicContact CB-CE1 4.32Å; F113-Y126 HydrophobicContact CB-CG 3.62Å; F113-Y126 AromaticContact CD1-CD2 3.93Å; F113-Y126 HydrophobicContact CD1-CD2 3.93Å; F113-Y126 HydrophobicContact CD1-CE2 4.4Å; F113-Y126 HydrophobicContact CD1-CG 4.12Å; F113-Y126 AromaticContact CD2-CD1 3.69Å; F113-Y126 HydrophobicContact CD2-CD1 3.69Å; F113-Y126 AromaticContact CD2-CD2 3.74Å; F113-Y126 HydrophobicContact CD2-CD2 3.74Å; F113-Y126 AromaticContact CD2-CE1 3.51Å; F113-Y126 HydrophobicContact CD2-CE1 3.51Å; F113-Y126 AromaticContact CD2-CE2 3.58Å; F113-Y126 HydrophobicContact CD2-CE2 3.58Å; F113-Y126 AromaticContact CD2-CG 3.79Å; F113-Y126 HydrophobicContact CD2-CG 3.79Å; F113-Y126 AromaticContact CD2-CZ 3.45Å; F113-Y126 VanDerWaalsContact CD2-CZ 3.45Å; F113-Y126 HydrophobicContact CE1-CD2 4.17Å; F113-Y126 HydrophobicContact CE1-CE2 4.33Å; F113-Y126 HydrophobicContact CE2-CD2 4.01Å; F113-Y126 HydrophobicContact CE2-CE1 4.12Å; F113-Y126 AromaticContact CE2-CE2 3.5Å; F113-Y126 HydrophobicContact CE2-CE2 3.5Å; F113-Y126 AromaticContact CE2-CZ 3.55Å; F113-Y126 AromaticContact CG-CD1 3.8Å; F113-Y126 HydrophobicContact CG-CD1 3.8Å; F113-Y126 AromaticContact CG-CD2 3.7Å; F113-Y126 HydrophobicContact CG-CD2 3.7Å; F113-Y126 HydrophobicContact CG-CE1 4.12Å; F113-Y126 HydrophobicContact CG-CE2 4.04Å; F113-Y126 AromaticContact CG-CG 3.56Å; F113-Y126 HydrophobicContact CG-CG 3.56Å; F113-Y126 HydrophobicContact CZ-CD2 4.21Å; F113-Y126 AromaticContact CZ-CE2 3.9Å; F113-Y126 HydrophobicContact CZ-CE2 3.9Å; Y126-P128 HydrophobicContact CD1-CG 4.13Å; Y126-P128 HydrophobicContact CE1-CB 4.23Å; Y126-P128 HydrophobicContact CE1-CG 4.05Å; Y126-P128 WeakPolarHBondContact O-CD 3.3Å; Y126-N131 WeakPolarHBondContact OH-CA 3.28Å; Y126-N131 PolarHBondContact OH-OD1 2.59Å; Y126-M133 HydrophobicContact CD2-CB 4.42Å; Y126-F270 HydrophobicContact CE2-CB 4.45Å; Y126-R282 PolarHBondContact O-NE 3.47Å; Y126-R282 PolarHBondContact O-NH1 3.06Å
127	S	97.7	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.2	172	180	0	0	0	0	109.8	A129 L130 N131 K132 E286	S127-A129 VanDerWaalsContact C-N 3.3Å; S127-A129 PolarHBondContact O-N 3.41Å; S127-L130 PolarHBondContact O-N 3.38Å; S127-L130 PolarHBondContact OG-N 3.35Å; S127-N131 WeakPolarHBondContact O-CA 3.48Å; S127-N131 PolarHBondContact O-N 3.32Å; S127-K132 PolarHBondContact N-O 2.88Å; S127-K132 PolarHBondContact O-N 2.81Å; S127-E286 WeakPolarHBondContact CB-OE1 3.06Å; S127-E286 WeakPolarHBondContact OG-CG 3.19Å; S127-E286 PolarHBondContact OG-OE1 3.34Å
128	P	96.5	Very high	96.8	Very high	81 Å²	81	44.8 Å²	44.8	53%	0.526	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.2	173.1	-24.2	34.6	0	0	0	112.6	Y126 L130 N131	Y126-P128 HydrophobicContact CD1-CG 4.13Å; Y126-P128 HydrophobicContact CE1-CB 4.23Å; Y126-P128 HydrophobicContact CE1-CG 4.05Å; Y126-P128 WeakPolarHBondContact O-CD 3.3Å; P128-L130 VanDerWaalsContact C-N 3.29Å; P128-L130 PolarHBondContact O-N 3.41Å; P128-N131 PolarHBondContact O-N 3.05Å
129	A	95.9	Very high	97	Very high	71 Å²	71	48 Å²	48	59%	0.587	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.5	-178.3	0	0	0	0	0	113	S127 L289	S127-A129 VanDerWaalsContact C-N 3.3Å; S127-A129 PolarHBondContact O-N 3.41Å; A129-L289 HydrophobicContact CB-CD2 4.18Å
130	L	96.8	Very high	97.2	Very high	42 Å²	42	48.3 Å²	48.3	22%	0.22	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-7.7	-179.8	-64.5	169	0	0	0	113.3	S127 P128 K132 F134 E285 E286 L289	S127-L130 PolarHBondContact O-N 3.38Å; S127-L130 PolarHBondContact OG-N 3.35Å; P128-L130 VanDerWaalsContact C-N 3.29Å; P128-L130 PolarHBondContact O-N 3.41Å; L130-K132 HydrophobicContact CB-CB 3.66Å; L130-K132 PolarHBondContact O-N 3.2Å; L130-F134 HydrophobicContact CD1-CE2 4.32Å; L130-F134 HydrophobicContact CD1-CZ 4.14Å; L130-E285 HydrophobicContact CD1-CB 3.65Å; L130-E286 HydrophobicContact CD1-CG 4.01Å; L130-E286 HydrophobicContact CG-CG 4.5Å; L130-L289 HydrophobicContact CD2-CB 4.18Å; L130-L289 HydrophobicContact CD2-CD1 4.36Å; L130-L289 HydrophobicContact CD2-CD2 3.8Å; L130-L289 HydrophobicContact CD2-CG 4.34Å; L130-L289 HydrophobicContact CG-CD2 4.44Å
131	N	97.7	Very high	97.5	Very high	65 Å²	65	39.4 Å²	39.4	35%	0.348	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	50.9	-163.6	-175.5	25.8	0	0	0	111.3	Y126 S127 P128 S269 F270 E271	Y126-N131 WeakPolarHBondContact OH-CA 3.28Å; Y126-N131 PolarHBondContact OH-OD1 2.59Å; S127-N131 WeakPolarHBondContact O-CA 3.48Å; S127-N131 PolarHBondContact O-N 3.32Å; P128-N131 PolarHBondContact O-N 3.05Å; N131-S269 PolarHBondContact ND2-O 2.76Å; N131-F270 WeakPolarHBondContact OD1-CB 3.38Å; N131-E271 PolarHBondContact O-N 3.17Å
132	K	98.3	Very high	97.6	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.2	-167.7	-174.2	169	179.4	168.5	0	112.7	S127 L130 F134 E271 E285	S127-K132 PolarHBondContact N-O 2.88Å; S127-K132 PolarHBondContact O-N 2.81Å; L130-K132 HydrophobicContact CB-CB 3.66Å; L130-K132 PolarHBondContact O-N 3.2Å; K132-F134 HydrophobicContact CB-CE2 4.02Å; K132-F134 HydrophobicContact CB-CZ 4.5Å; K132-F134 HydrophobicContact CD-CE1 4.22Å; K132-F134 HydrophobicContact CD-CE2 3.92Å; K132-F134 HydrophobicContact CD-CZ 3.58Å; K132-F134 HydrophobicContact CG-CD2 4.25Å; K132-F134 HydrophobicContact CG-CE2 3.69Å; K132-F134 HydrophobicContact CG-CZ 3.88Å; K132-E271 CarbonylContact C-O 3.55Å; K132-E271 WeakPolarHBondContact CA-O 3.4Å; K132-E271 HydrophobicContact CB-CB 4.03Å; K132-E271 HydrophobicContact CD-CB 4.24Å; K132-E271 HydrophobicContact CD-CG 3.86Å; K132-E271 WeakPolarHBondContact CD-OE1 3.43Å; K132-E271 WeakPolarHBondContact CE-OE1 3.18Å; K132-E271 HydrophobicContact CG-CB 3.85Å; K132-E271 HydrophobicContact CG-CG 3.9Å; K132-E271 IonicContact NZ-OE1 2.98Å; K132-E271 PolarHBondContact NZ-OE1 3.05Å; K132-E285 WeakPolarHBondContact CE-OE2 3.2Å; K132-E285 IonicContact NZ-OE1 3.17Å; K132-E285 PolarHBondContact NZ-OE1 2.81Å; K132-E285 IonicContact NZ-OE2 3.31Å; K132-E285 PolarHBondContact NZ-OE2 2.87Å
133	M	98.6	Very high	97.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.2	171.1	-175.8	-176.7	-74.5	0	0	110.4	F113 Y126 C141 V143 Y236 F270 E271 V272 R273	F113-M133 HydrophobicContact CD1-CE 3.66Å; F113-M133 HydrophobicContact CE1-CE 3.58Å; Y126-M133 HydrophobicContact CD2-CB 4.42Å; M133-C141 HydrophobicContact CE-CB 4.37Å; M133-C141 HydrophobicContact SD-CB 3.8Å; M133-V143 HydrophobicContact CE-CG2 3.81Å; M133-Y236 HydrophobicContact SD-CE2 4.25Å; M133-F270 HydrophobicContact CB-CD2 3.92Å; M133-F270 HydrophobicContact CB-CE2 4.07Å; M133-F270 HydrophobicContact CE-CD2 4.39Å; M133-F270 HydrophobicContact CE-CE2 3.7Å; M133-F270 HydrophobicContact CE-CZ 4.15Å; M133-F270 HydrophobicContact SD-CE2 3.96Å; M133-E271 PolarHBondContact N-O 3.47Å; M133-V272 HydrophobicContact CB-CG2 4.43Å; M133-V272 CarbonylContact O-C 3.48Å; M133-V272 WeakPolarHBondContact O-CA 3.49Å; M133-R273 PolarHBondContact O-N 2.75Å
134	F	98.6	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.2	171.2	-60.3	-102.5	0	0	0	107.7	C124 T125 L130 K132 R273 P278 D281 R282 E285	C124-F134 CarbonylContact C-O 3.59Å; C124-F134 WeakPolarHBondContact CA-O 3.45Å; T125-F134 HydrophobicContact CG2-CB 3.92Å; T125-F134 PolarHBondContact N-O 3.35Å; T125-F134 PolarHBondContact O-N 3.29Å; L130-F134 HydrophobicContact CD1-CE2 4.32Å; L130-F134 HydrophobicContact CD1-CZ 4.14Å; K132-F134 HydrophobicContact CB-CE2 4.02Å; K132-F134 HydrophobicContact CB-CZ 4.5Å; K132-F134 HydrophobicContact CD-CE1 4.22Å; K132-F134 HydrophobicContact CD-CE2 3.92Å; K132-F134 HydrophobicContact CD-CZ 3.58Å; K132-F134 HydrophobicContact CG-CD2 4.25Å; K132-F134 HydrophobicContact CG-CE2 3.69Å; K132-F134 HydrophobicContact CG-CZ 3.88Å; F134-R273 WeakPolarHBondContact CA-O 3.5Å; F134-R273 HydrophobicContact CD1-CB 4.03Å; F134-R273 HydrophobicContact CD1-CG 4.34Å; F134-R273 HydrophobicContact CE1-CB 4.32Å; F134-P278 HydrophobicContact CB-CB 3.76Å; F134-P278 WeakPolarHBondContact O-CB 3.29Å; F134-D281 HydrophobicContact CD1-CB 3.9Å; F134-D281 HydrophobicContact CE1-CB 4.11Å; F134-R282 HydrophobicContact CD1-CB 4.42Å; F134-R282 HydrophobicContact CD2-CB 3.69Å; F134-R282 HydrophobicContact CD2-CG 4.12Å; F134-R282 HydrophobicContact CE2-CB 3.82Å; F134-R282 HydrophobicContact CE2-CG 4.02Å; F134-R282 HydrophobicContact CG-CB 4.02Å; F134-R282 HydrophobicContact CZ-CB 4.24Å; F134-E285 HydrophobicContact CE1-CG 4.22Å; F134-E285 WeakPolarHBondContact CE1-OE1 3.24Å; F134-E285 HydrophobicContact CZ-CB 4.07Å; F134-E285 HydrophobicContact CZ-CG 4.23Å
135	C	98.5	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161	-178.1	59.8	0	0	0	0	112.3	T123 C124 C141 R273 V274 C275	T123-C135 CarbonylContact O-C 3.49Å; T123-C135 VanDerWaalsContact O-CA 3.27Å; T123-C135 WeakPolarHBondContact O-CA 3.47Å; C124-C135 HydrophobicContact CB-CB 4.24Å; C135-C141 WeakPolarHBondContact CB-SG 3.42Å; C135-R273 PolarHBondContact N-O 3.29Å; C135-V274 CarbonylContact O-C 3.56Å; C135-V274 VanDerWaalsContact O-CA 3.26Å; C135-V274 WeakPolarHBondContact O-CA 3.22Å; C135-C275 PolarHBondContact O-N 2.88Å
136	Q	98.4	Very high	97.8	Very high	50 Å²	50	36 Å²	36	23%	0.234	20%	0.2	C	C	.	.			trans	-86.4	155.9	170.3	-74.2	179.9	-29.7	0	0	111.3	T123 A138 K139 C275 A276 P278	T123-Q136 PolarHBondContact O-N 3.23Å; Q136-A138 PolarHBondContact O-N 3.37Å; Q136-K139 HydrophobicContact CB-CB 4.15Å; Q136-K139 HydrophobicContact CB-CG 3.56Å; Q136-K139 PolarHBondContact O-N 2.82Å; Q136-C275 WeakPolarHBondContact CA-O 3.4Å; Q136-C275 WeakPolarHBondContact CG-O 3.35Å; Q136-A276 PolarHBondContact NE2-O 2.9Å; Q136-P278 HydrophobicContact CG-CG 3.78Å
137	L	97.5	Very high	97.8	Very high	58 Å²	58	35.2 Å²	35.2	30%	0.304	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	130.7	174.8	-177.1	68.1	0	0	0	111	K139 C238 V274	L137-K139 PolarHBondContact O-N 3.13Å; L137-C238 VanDerWaalsContact CD1-CA 3.46Å; L137-V274 HydrophobicContact CB-CG1 4.44Å
138	A	96.3	Very high	97.7	Very high	48 Å²	48	40.4 Å²	40.4	40%	0.397	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	20.8	175.6	0	0	0	0	0	115.2	Q136 Y236 M237	Q136-A138 PolarHBondContact O-N 3.37Å; A138-Y236 PolarHBondContact N-O 3.4Å; A138-M237 HydrophobicContact CB-CE 3.74Å; A138-M237 HydrophobicContact CB-SD 4.01Å
139	K	97.5	Very high	97.7	Very high	100 Å²	100	39.1 Å²	39.1	44%	0.435	22%	0.22	S	C	.	.			trans	-92.9	151.4	172	-63.7	-55.3	-174	-178.8	0	111.1	T123 Q136 L137 C141 N235	T123-K139 HydrophobicContact CG2-CG 4.34Å; Q136-K139 HydrophobicContact CB-CB 4.15Å; Q136-K139 HydrophobicContact CB-CG 3.56Å; Q136-K139 PolarHBondContact O-N 2.82Å; L137-K139 PolarHBondContact O-N 3.13Å; K139-C141 PolarHBondContact O-N 3.13Å; K139-C141 PolarHBondContact O-SG 3.39Å; K139-C141 VanDerWaalsContact O-SG 3.34Å; K139-N235 PolarHBondContact O-ND2 3.37Å
140	T	97.7	Very high	97.8	Very high	55 Å²	55	40.5 Å²	40.5	34%	0.337	22%	0.221	S	C	.	.			trans	-63.3	126.1	-179.8	-45.5	0	0	0	0	111.4	E198 H233	T140-E198 WeakPolarHBondContact CB-OE2 3.48Å; T140-E198 WeakPolarHBondContact CG2-OE2 3.43Å; T140-E198 PolarHBondContact OG1-OE2 2.64Å; T140-H233 HydrophobicContact CG2-CB 3.79Å
141	C	98.2	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	92.9	179.4	-60.5	0	0	0	0	109.3	M133 C135 K139 V143 Y234 Y236	M133-C141 HydrophobicContact CE-CB 4.37Å; M133-C141 HydrophobicContact SD-CB 3.8Å; C135-C141 WeakPolarHBondContact CB-SG 3.42Å; K139-C141 PolarHBondContact O-N 3.13Å; K139-C141 PolarHBondContact O-SG 3.39Å; K139-C141 VanDerWaalsContact O-SG 3.34Å; C141-V143 PolarHBondContact O-N 3.48Å; C141-Y234 WeakPolarHBondContact CA-O 3.35Å; C141-Y234 VanDerWaalsContact CB-O 3.27Å; C141-Y234 WeakPolarHBondContact CB-O 3.42Å; C141-Y234 PolarHBondContact N-O 3.3Å; C141-Y234 PolarHBondContact O-N 3.44Å; C141-Y236 HydrophobicContact CB-CE2 4.3Å
142	P	97.8	Very high	97.8	Very high	23 Å²	23	38.6 Å²	38.6	15%	0.149	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127	179.7	26.7	-31.4	0	0	0	110.9	L114 T231	L114-P142 HydrophobicContact CD1-CB 4.08Å; L114-P142 HydrophobicContact CD1-CG 3.51Å; L114-P142 HydrophobicContact CG-CB 4.46Å; L114-P142 HydrophobicContact CG-CG 4.06Å; P142-T231 HydrophobicContact CB-CG2 3.77Å
143	V	98.5	Very high	97.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.4	174.3	179.2	0	0	0	0	108.2	L111 F113 M133 C141 T231 I232 Y234 F270	L111-V143 HydrophobicContact CD2-CG1 4Å; F113-V143 HydrophobicContact CD1-CG2 4.48Å; F113-V143 HydrophobicContact CE1-CG1 4.25Å; F113-V143 HydrophobicContact CE1-CG2 4.07Å; M133-V143 HydrophobicContact CE-CG2 3.81Å; C141-V143 PolarHBondContact O-N 3.48Å; V143-T231 WeakPolarHBondContact O-CA 3.3Å; V143-I232 PolarHBondContact N-O 2.85Å; V143-I232 PolarHBondContact O-N 2.82Å; V143-Y234 HydrophobicContact CB-CD2 4.03Å; V143-Y234 HydrophobicContact CB-CE2 3.94Å; V143-Y234 HydrophobicContact CG2-CD2 3.68Å; V143-Y234 HydrophobicContact CG2-CE2 4.01Å; V143-F270 HydrophobicContact CG1-CE1 4.5Å; V143-F270 HydrophobicContact CG2-CE1 4.46Å; V143-F270 HydrophobicContact CG2-CZ 4.01Å
144	Q	98.2	Very high	97.6	Very high	35 Å²	35	46.5 Å²	46.5	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.1	-179.4	-61.1	174.9	-35.4	0	0	110.3	L111 G112 C229 T230	L111-Q144 CarbonylContact C-O 3.58Å; L111-Q144 WeakPolarHBondContact CA-O 3.35Å; G112-Q144 PolarHBondContact N-O 2.96Å; G112-Q144 WeakPolarHBondContact O-CB 3.41Å; G112-Q144 PolarHBondContact O-N 2.82Å; Q144-C229 HydrophobicContact CB-CB 4.47Å; Q144-T230 CarbonylContact C-O 3.49Å; Q144-T230 WeakPolarHBondContact CA-O 3.41Å
145	L	98.3	Very high	97.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.4	175.1	-49.2	-177.8	0	0	0	108.2	F109 L111 V157 Y220 C229 T230 I232 I255	F109-L145 HydrophobicContact CE2-CB 4.33Å; F109-L145 HydrophobicContact CE2-CD2 4.04Å; F109-L145 HydrophobicContact CZ-CD2 4.23Å; L111-L145 HydrophobicContact CD2-CD2 3.63Å; L145-V157 HydrophobicContact CD1-CB 4.29Å; L145-V157 HydrophobicContact CD1-CG1 3.95Å; L145-V157 HydrophobicContact CD1-CG2 3.56Å; L145-V157 HydrophobicContact CD2-CG1 4.33Å; L145-Y220 HydrophobicContact CD1-CD2 4.44Å; L145-C229 WeakPolarHBondContact O-CB 3.48Å; L145-T230 PolarHBondContact N-O 2.94Å; L145-T230 PolarHBondContact O-N 3.31Å; L145-T230 VanDerWaalsContact O-N 3.13Å; L145-I232 HydrophobicContact CD1-CD1 3.67Å; L145-I232 HydrophobicContact CD1-CG1 4.13Å; L145-I232 HydrophobicContact CG-CD1 4.38Å; L145-I255 HydrophobicContact CD2-CG2 4.38Å
146	W	98.4	Very high	97.6	Very high	72 Å²	72	49.6 Å²	49.6	27%	0.273	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.2	178.6	-67.6	79.6	0	0	0	109.1	F109 R110 D228 C229	F109-W146 WeakPolarHBondContact CA-O 3.34Å; R110-W146 HydrophobicContact CG-CB 3.55Å; R110-W146 HydrophobicContact CG-CG 4.37Å; R110-W146 PolarHBondContact N-O 3.24Å; R110-W146 PolarHBondContact O-N 3.46Å; W146-D228 HydrophobicContact CE3-CB 4.41Å; W146-D228 HydrophobicContact CH2-CB 3.88Å; W146-D228 HydrophobicContact CZ3-CB 3.52Å; W146-C229 HydrophobicContact CD2-CB 3.68Å; W146-C229 HydrophobicContact CE3-CB 4.11Å; W146-C229 HydrophobicContact CG-CB 4.08Å; W146-C229 HydrophobicContact CH2-CB 4.27Å; W146-C229 HydrophobicContact CZ2-CB 3.85Å; W146-C229 HydrophobicContact CZ3-CB 4.39Å
147	V	98	Very high	97.6	Very high	24 Å²	24	47.2 Å²	47.2	15%	0.145	28%	0.278	C	S	.	.			trans	-136.4	147	174.5	-64.4	0	0	0	0	108.7	Y107 F109 Y220 L257	Y107-V147 CarbonylContact O-C 3.52Å; Y107-V147 VanDerWaalsContact O-CA 3.3Å; Y107-V147 WeakPolarHBondContact O-CA 3.33Å; Y107-V147 WeakPolarHBondContact O-CB 3.35Å; F109-V147 HydrophobicContact CD2-CG1 4.24Å; V147-Y220 VanDerWaalsContact CG2-OH 3.26Å; V147-Y220 WeakPolarHBondContact CG2-OH 3.44Å; V147-L257 HydrophobicContact CG1-CD2 4.42Å
148	D	97.3	Very high	97.6	Very high	110 Å²	110	45.9 Å²	45.9	59%	0.588	27%	0.269	S	S	*	.	S	Bend	trans	-87.9	-22.2	176.6	-60.5	-32.5	0	0	0	111.7	Y107 G108 R110	Y107-D148 PolarHBondContact O-N 3.28Å; G108-D148 WeakPolarHBondContact CA-OD2 3.25Å; R110-D148 IonicContact CZ-OD1 2.73Å; R110-D148 VanDerWaalsContact CZ-OD1 3.25Å; R110-D148 VanDerWaalsContact NH1-CG 3.3Å; R110-D148 IonicContact NH1-OD1 3.53Å; R110-D148 PolarHBondContact NH1-OD1 2.86Å; R110-D148 IonicContact NH1-OD2 2.95Å; R110-D148 PolarHBondContact NH1-OD2 2.89Å; R110-D148 IonicContact NH2-OD1 2.6Å; R110-D148 PolarHBondContact NH2-OD1 2.88Å
149	S	96.4	Very high	97.8	Very high	54 Å²	54	43.6 Å²	43.6	38%	0.378	25%	0.25	S	S	.	.	S	Bend	trans	-142	144.8	173.8	59.6	0	0	0	0	110.6	Y107 P151	Y107-S149 WeakPolarHBondContact CD1-OG 3.45Å; S149-P151 WeakPolarHBondContact O-CD 3.31Å
150	T	96.6	Very high	97.8	Very high	99 Å²	99	40 Å²	40	61%	0.607	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-66.3	123.9	-176.7	-53.7	0	0	0	0	110.7	P222	T150-P222 HydrophobicContact CG2-CG 4.35Å
151	P	97.3	Very high	97.8	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.058	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-71	164.8	178.4	32.2	-37.6	0	0	0	112	Y107 S149 T155 Y220 L257	Y107-P151 HydrophobicContact CD1-CB 4.13Å; Y107-P151 HydrophobicContact CD2-CB 4.3Å; Y107-P151 HydrophobicContact CE1-CB 4.28Å; Y107-P151 HydrophobicContact CE2-CB 4.44Å; Y107-P151 HydrophobicContact CG-CB 4.16Å; S149-P151 WeakPolarHBondContact O-CD 3.31Å; P151-T155 HydrophobicContact CB-CG2 3.98Å; P151-T155 HydrophobicContact CG-CG2 3.95Å; P151-Y220 VanDerWaalsContact CD-CE1 3.48Å; P151-Y220 HydrophobicContact CG-CD1 3.54Å; P151-Y220 HydrophobicContact CG-CE1 3.37Å; P151-Y220 HydrophobicContact CG-CE2 4.36Å; P151-Y220 HydrophobicContact CG-CG 4.12Å; P151-L257 HydrophobicContact CB-CD2 4.42Å; P151-L257 HydrophobicContact CG-CD2 4.47Å
152	P	96.8	Very high	97.9	Very high	59 Å²	59	37.9 Å²	37.9	38%	0.383	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-64.1	157.3	-174.7	-21.6	34.4	0	0	0	112.9	Y107 T155	Y107-P152 VanDerWaalsContact OH-CD 3.25Å; Y107-P152 WeakPolarHBondContact OH-CD 3.42Å; Y107-P152 VanDerWaalsContact OH-CG 3.31Å; Y107-P152 WeakPolarHBondContact OH-CG 3.41Å; P152-T155 WeakPolarHBondContact O-CB 3.08Å; P152-T155 PolarHBondContact O-N 2.87Å; P152-T155 PolarHBondContact O-OG1 3.46Å
153	P	96.6	Very high	97.9	Very high	130 Å²	130	36.9 Å²	36.9	84%	0.844	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	141.1	172.9	-25.3	34.9	0	0	0	112.4	T155	P153-T155 VanDerWaalsContact C-N 3.34Å
154	G	96.8	Very high	97.9	Very high	49 Å²	49	41.5 Å²	41.5	51%	0.505	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	6.3	-177.2	0	0	0	0	0	114.8	S260	G154-S260 WeakPolarHBondContact O-CA 3.48Å; G154-S260 PolarHBondContact O-N 3.28Å
155	T	98.4	Very high	97.8	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.031	25%	0.246	C	C	.	.			trans	-60.5	144.2	169.6	-63.4	0	0	0	0	110.8	P151 P152 P153 Y220 L257 E258 L265	P151-T155 HydrophobicContact CB-CG2 3.98Å; P151-T155 HydrophobicContact CG-CG2 3.95Å; P152-T155 WeakPolarHBondContact O-CB 3.08Å; P152-T155 PolarHBondContact O-N 2.87Å; P152-T155 PolarHBondContact O-OG1 3.46Å; P153-T155 VanDerWaalsContact C-N 3.34Å; T155-Y220 HydrophobicContact CG2-CG 4.13Å; T155-Y220 WeakPolarHBondContact O-CB 3.41Å; T155-Y220 PolarHBondContact O-N 3.37Å; T155-L257 HydrophobicContact CG2-CD1 3.42Å; T155-L257 VanDerWaalsContact CG2-CD1 3.42Å; T155-L257 HydrophobicContact CG2-CD2 4.37Å; T155-L257 HydrophobicContact CG2-CG 3.71Å; T155-E258 CarbonylContact C-O 3.54Å; T155-E258 VanDerWaalsContact CA-O 3.27Å; T155-E258 WeakPolarHBondContact CA-O 3.44Å; T155-E258 WeakPolarHBondContact CG2-O 3.3Å; T155-L265 HydrophobicContact CG2-CD1 4.14Å
156	R	98.3	Very high	97.6	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.2	-179	-59.9	-176.2	-61.6	178.3	-2.1	111	V217 V218 E258	R156-V217 HydrophobicContact CB-CG1 3.73Å; R156-V217 HydrophobicContact CG-CG1 4.3Å; R156-V218 CarbonylContact C-O 3.58Å; R156-V218 WeakPolarHBondContact CA-O 3.41Å; R156-E258 PolarHBondContact N-O 2.98Å; R156-E258 PolarHBondContact O-N 2.77Å
157	V	98.6	Very high	97.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.2	177.3	-173.3	0	0	0	0	108.3	L145 V217 V218 Y220 I232 I255 T256 L257	L145-V157 HydrophobicContact CD1-CB 4.29Å; L145-V157 HydrophobicContact CD1-CG1 3.95Å; L145-V157 HydrophobicContact CD1-CG2 3.56Å; L145-V157 HydrophobicContact CD2-CG1 4.33Å; V157-V217 WeakPolarHBondContact O-CA 3.39Å; V157-V218 HydrophobicContact CB-CG2 4.2Å; V157-V218 PolarHBondContact N-O 2.73Å; V157-V218 PolarHBondContact O-N 3.31Å; V157-Y220 HydrophobicContact CG2-CD2 4.09Å; V157-I232 HydrophobicContact CB-CD1 3.86Å; V157-I232 HydrophobicContact CG1-CD1 3.67Å; V157-I232 HydrophobicContact CG2-CD1 4.27Å; V157-I255 HydrophobicContact CG1-CG2 3.61Å; V157-T256 WeakPolarHBondContact CA-O 3.46Å; V157-L257 HydrophobicContact CG2-CD1 3.89Å
158	R	98.6	Very high	97.4	Very high	30 Å²	30	50.7 Å²	50.7	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.7	179.4	176.4	-170.6	-50.2	-76.5	-9.4	110.5	S215 V216 V217 I255 T256 E258	R158-S215 PolarHBondContact NH1-OG 3.09Å; R158-V216 CarbonylContact C-O 3.6Å; R158-V216 WeakPolarHBondContact CA-O 3.39Å; R158-V217 HydrophobicContact CB-CG2 4.05Å; R158-V217 HydrophobicContact CG-CG2 4Å; R158-V217 VanDerWaalsContact CZ-CG2 3.48Å; R158-I255 CarbonylContact O-C 3.56Å; R158-I255 VanDerWaalsContact O-CA 3.28Å; R158-I255 WeakPolarHBondContact O-CA 3.34Å; R158-T256 WeakPolarHBondContact CB-OG1 3.21Å; R158-T256 PolarHBondContact N-O 3Å; R158-T256 PolarHBondContact O-N 2.87Å; R158-E258 WeakPolarHBondContact CB-OE1 3.47Å; R158-E258 WeakPolarHBondContact CD-OE1 3.36Å; R158-E258 IonicContact CZ-OE1 3.73Å; R158-E258 IonicContact CZ-OE2 2.9Å; R158-E258 VanDerWaalsContact NE-CD 3.35Å; R158-E258 IonicContact NE-OE1 3.96Å; R158-E258 PolarHBondContact NE-OE1 2.76Å; R158-E258 IonicContact NE-OE2 3.95Å; R158-E258 PolarHBondContact NE-OE2 3.32Å; R158-E258 VanDerWaalsContact NE-OE2 3.09Å; R158-E258 IonicContact NH2-OE1 3.78Å; R158-E258 IonicContact NH2-OE2 3.3Å; R158-E258 PolarHBondContact NH2-OE2 3.11Å
159	A	98.7	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.3	167.4	0	0	0	0	0	110.9	I195 S215 V216 Y234 T253 I254 I255	A159-I195 HydrophobicContact CB-CD1 4.44Å; A159-I195 HydrophobicContact CB-CG2 4.33Å; A159-S215 VanDerWaalsContact O-CA 3.31Å; A159-S215 WeakPolarHBondContact O-CA 3.46Å; A159-S215 WeakPolarHBondContact O-CB 3.47Å; A159-V216 HydrophobicContact CB-CG1 3.89Å; A159-V216 PolarHBondContact N-O 3.05Å; A159-V216 PolarHBondContact O-N 2.88Å; A159-Y234 HydrophobicContact CB-CD1 4.32Å; A159-Y234 HydrophobicContact CB-CE1 3.51Å; A159-T253 HydrophobicContact CB-CG2 4.5Å; A159-I254 WeakPolarHBondContact CA-O 3.45Å; A159-I255 HydrophobicContact CB-CD1 3.5Å
160	M	98.5	Very high	97.2	Very high	25 Å²	25	47.2 Å²	47.2	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.1	178.4	-179.2	180	-68	0	0	110.4	P98 R213 T253 I254	P98-M160 HydrophobicContact CB-SD 4.4Å; P98-M160 HydrophobicContact CG-SD 3.93Å; M160-R213 HydrophobicContact CE-CB 3.96Å; M160-R213 HydrophobicContact SD-CB 4.03Å; M160-T253 WeakPolarHBondContact O-CA 3.46Å; M160-I254 PolarHBondContact N-O 3.16Å; M160-I254 PolarHBondContact O-N 3.48Å
161	A	98.6	Very high	97.3	Very high	10 Å²	10	45.2 Å²	45.2	8%	0.083	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138	173.2	0	0	0	0	0	111.6	V173 L194 I195 I251 L252	A161-V173 HydrophobicContact CB-CB 3.89Å; A161-V173 HydrophobicContact CB-CG1 3.8Å; A161-V173 HydrophobicContact CB-CG2 4.2Å; A161-L194 HydrophobicContact CB-CD2 4.23Å; A161-I195 HydrophobicContact CB-CD1 3.94Å; A161-I195 HydrophobicContact CB-CG1 4.42Å; A161-I251 HydrophobicContact CB-CD1 4.45Å; A161-L252 WeakPolarHBondContact CA-O 3.28Å
162	I	98.4	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.1	167.2	64.6	166.4	0	0	0	110.4	P98 I251 L252 I254	P98-I162 HydrophobicContact CG-CG2 3.57Å; I162-I251 CarbonylContact O-C 3.48Å; I162-I251 VanDerWaalsContact O-CA 3.22Å; I162-I251 WeakPolarHBondContact O-CA 3.36Å; I162-I251 WeakPolarHBondContact O-CB 3.48Å; I162-L252 HydrophobicContact CG1-CB 4.01Å; I162-L252 PolarHBondContact N-O 3.21Å; I162-L252 PolarHBondContact O-N 3.29Å; I162-I254 HydrophobicContact CD1-CD1 3.69Å; I162-I254 HydrophobicContact CG1-CD1 3.99Å; I162-I254 HydrophobicContact CG2-CD1 4.39Å
163	Y	98.5	Very high	97.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.7	169.8	-70.5	-68.9	0	0	0	110.8	H168 M169 E171 V173 G245 M246 R249 I251	Y163-H168 HydrophobicContact CD2-CB 4Å; Y163-H168 WeakPolarHBondContact CD2-O 3.43Å; Y163-H168 HydrophobicContact CG-CB 3.88Å; Y163-M169 WeakPolarHBondContact O-CG 3.35Å; Y163-E171 HydrophobicContact CD2-CB 3.99Å; Y163-E171 HydrophobicContact CD2-CG 4.46Å; Y163-E171 HydrophobicContact CE2-CB 3.99Å; Y163-E171 HydrophobicContact CE2-CG 3.94Å; Y163-V173 HydrophobicContact CD1-CG2 4.29Å; Y163-V173 HydrophobicContact CD2-CG2 3.75Å; Y163-V173 HydrophobicContact CE1-CG2 4.3Å; Y163-V173 HydrophobicContact CE2-CG2 3.78Å; Y163-V173 HydrophobicContact CG-CG2 4.02Å; Y163-G245 PolarHBondContact OH-O 2.84Å; Y163-M246 HydrophobicContact CE1-CB 4.44Å; Y163-M246 HydrophobicContact CE1-CG 4.3Å; Y163-R249 HydrophobicContact CD1-CB 3.74Å; Y163-R249 HydrophobicContact CE1-CB 3.82Å; Y163-R249 PolarHBondContact OH-NH2 3.12Å; Y163-I251 HydrophobicContact CD1-CG2 3.71Å; Y163-I251 HydrophobicContact CE1-CG2 3.91Å
164	K	97.8	Very high	97.3	Very high	96 Å²	96	38.3 Å²	38.3	42%	0.417	20%	0.204	S	C	.	.	S	Bend	trans	-73.6	-34	-179.1	-176.6	-179.3	178.9	-177.2	0	112.5	M169 P250 L252 E271	K164-M169 WeakPolarHBondContact O-CE 3.4Å; K164-P250 HydrophobicContact CB-CB 4.19Å; K164-P250 HydrophobicContact CB-CG 4.14Å; K164-P250 WeakPolarHBondContact CB-O 3.21Å; K164-P250 HydrophobicContact CD-CB 4.38Å; K164-P250 PolarHBondContact N-O 3.16Å; K164-L252 HydrophobicContact CB-CD1 4.49Å; K164-L252 HydrophobicContact CB-CD2 4.48Å; K164-L252 HydrophobicContact CB-CG 4Å; K164-L252 HydrophobicContact CD-CD2 4.24Å; K164-L252 HydrophobicContact CG-CD1 4.3Å; K164-L252 HydrophobicContact CG-CD2 4.22Å; K164-L252 HydrophobicContact CG-CG 4.09Å; K164-E271 HydrophobicContact CD-CG 4.43Å; K164-E271 WeakPolarHBondContact CD-OE2 3.4Å; K164-E271 WeakPolarHBondContact CE-OE2 3.34Å; K164-E271 IonicContact NZ-OE2 3.25Å; K164-E271 PolarHBondContact NZ-OE2 3.26Å
165	Q	96.4	Very high	97.3	Very high	79 Å²	79	36.1 Å²	36.1	37%	0.369	18%	0.18	S	C	.	.	S	Bend	trans	-76.2	130.6	-178.1	-69.8	173.7	-24.3	0	0	110.4	Q167 H168 M169 P250	Q165-Q167 HydrophobicContact CB-CG 4.39Å; Q165-Q167 PolarHBondContact O-N 3.49Å; Q165-Q167 VanDerWaalsContact O-N 3.15Å; Q165-H168 PolarHBondContact O-N 3.16Å; Q165-H168 PolarHBondContact OE1-CD2 3.33Å; Q165-M169 PolarHBondContact O-N 3.26Å; Q165-P250 HydrophobicContact CG-CG 4.11Å
166	S	95	Very high	97.2	Very high	99 Å²	99	36.1 Å²	36.1	69%	0.692	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-53.7	-38.8	-175.5	53.1	0	0	0	0	113.6	H168 M169	S166-H168 PolarHBondContact O-N 3.19Å; S166-H168 VanDerWaalsContact O-N 3.16Å; S166-M169 PolarHBondContact O-N 2.87Å
167	Q	95.7	Very high	97.1	Very high	108 Å²	108	34.5 Å²	34.5	51%	0.505	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-65.5	-15.5	179.7	73.2	-166.9	27.8	0	0	114.7	Q165	Q165-Q167 HydrophobicContact CB-CG 4.39Å; Q165-Q167 PolarHBondContact O-N 3.49Å; Q165-Q167 VanDerWaalsContact O-N 3.15Å
168	H	95.2	Very high	96.9	Very high	40 Å²	40	41 Å²	41	19%	0.185	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-117.7	2.2	-179.7	-59	-58.5	0	0	0	112.7	Y163 Q165 S166 T170 E171 R249	Y163-H168 HydrophobicContact CD2-CB 4Å; Y163-H168 WeakPolarHBondContact CD2-O 3.43Å; Y163-H168 HydrophobicContact CG-CB 3.88Å; Q165-H168 PolarHBondContact O-N 3.16Å; Q165-H168 PolarHBondContact OE1-CD2 3.33Å; S166-H168 PolarHBondContact O-N 3.19Å; S166-H168 VanDerWaalsContact O-N 3.16Å; H168-T170 PolarHBondContact O-N 3.21Å; H168-E171 IonicContact ND1-OE2 2.67Å; H168-E171 WeakPolarHBondContact O-CB 3.41Å; H168-E171 PolarHBondContact O-N 3.3Å; H168-R249 VanDerWaalsContact CD2-CD 3.45Å; H168-R249 WeakPolarHBondContact CD2-CD 3.39Å; H168-R249 PolarHBondContact ND1-NH1 3.15Å
169	M	95.3	Very high	96.7	Very high	36 Å²	36	40.9 Å²	40.9	18%	0.177	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.4	-173.5	-82	-176.4	173.4	0	0	113.7	V97 Y163 K164 Q165 S166 E171 R213	V97-M169 HydrophobicContact CG1-CB 4Å; V97-M169 HydrophobicContact CG1-CG 4.39Å; V97-M169 HydrophobicContact CG1-SD 4.13Å; V97-M169 HydrophobicContact CG2-CB 3.85Å; Y163-M169 WeakPolarHBondContact O-CG 3.35Å; K164-M169 WeakPolarHBondContact O-CE 3.4Å; Q165-M169 PolarHBondContact O-N 3.26Å; S166-M169 PolarHBondContact O-N 2.87Å; M169-E171 VanDerWaalsContact C-N 3.34Å; M169-R213 PolarHBondContact O-NH2 3.46Å
170	T	96.1	Very high	96.5	Very high	56 Å²	56	43 Å²	43	34%	0.344	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.7	176.1	54	0	0	0	0	112.7	S94 V97 H168	S94-T170 WeakPolarHBondContact CA-O 3.45Å; S94-T170 WeakPolarHBondContact CB-O 3.46Å; S94-T170 PolarHBondContact N-O 2.67Å; V97-T170 HydrophobicContact CG2-CG2 4.1Å; H168-T170 PolarHBondContact O-N 3.21Å
171	E	96.7	Very high	96.2	Very high	56 Å²	56	50.8 Å²	50.8	26%	0.262	25%	0.246	S	C	.	.	S	Bend	trans	-72.9	136.4	175.6	-167.5	-178.4	136.8	0	0	110.2	L93 Y163 H168 M169 R249	L93-E171 HydrophobicContact CD2-CB 3.97Å; L93-E171 HydrophobicContact CD2-CG 4.15Å; Y163-E171 HydrophobicContact CD2-CB 3.99Å; Y163-E171 HydrophobicContact CD2-CG 4.46Å; Y163-E171 HydrophobicContact CE2-CB 3.99Å; Y163-E171 HydrophobicContact CE2-CG 3.94Å; H168-E171 IonicContact ND1-OE2 2.67Å; H168-E171 WeakPolarHBondContact O-CB 3.41Å; H168-E171 PolarHBondContact O-N 3.3Å; M169-E171 VanDerWaalsContact C-N 3.34Å; E171-R249 IonicContact OE1-CZ 3.28Å; E171-R249 VanDerWaalsContact OE1-CZ 3.27Å; E171-R249 IonicContact OE1-NH1 3.84Å; E171-R249 PolarHBondContact OE1-NH1 2.96Å; E171-R249 IonicContact OE1-NH2 3.81Å; E171-R249 PolarHBondContact OE1-NH2 3.36Å; E171-R249 IonicContact OE2-CZ 3.58Å; E171-R249 IonicContact OE2-NH1 3Å; E171-R249 PolarHBondContact OE2-NH1 3.29Å; E171-R249 IonicContact OE2-NH2 3.92Å
172	V	97.4	Very high	95.7	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-75.8	129.8	176.5	-179.7	0	0	0	0	108.9	R174 F212 R213	V172-R174 HydrophobicContact CB-CG 4.35Å; V172-R174 HydrophobicContact CG1-CG 3.93Å; V172-R174 PolarHBondContact O-N 3Å; V172-F212 WeakPolarHBondContact CG1-O 3.16Å; V172-F212 HydrophobicContact CG2-CB 4.03Å; V172-R213 HydrophobicContact CG2-CG 4.47Å
173	V	97.8	Very high	94.7	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.03	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-74.5	118.6	173.9	-179.5	0	0	0	0	108.9	A161 Y163 L194 H214 I251	A161-V173 HydrophobicContact CB-CB 3.89Å; A161-V173 HydrophobicContact CB-CG1 3.8Å; A161-V173 HydrophobicContact CB-CG2 4.2Å; Y163-V173 HydrophobicContact CD1-CG2 4.29Å; Y163-V173 HydrophobicContact CD2-CG2 3.75Å; Y163-V173 HydrophobicContact CE1-CG2 4.3Å; Y163-V173 HydrophobicContact CE2-CG2 3.78Å; Y163-V173 HydrophobicContact CG-CG2 4.02Å; V173-L194 HydrophobicContact CG1-CB 4.4Å; V173-L194 HydrophobicContact CG1-CD2 3.42Å; V173-L194 VanDerWaalsContact CG1-CD2 3.42Å; V173-H214 PolarHBondContact O-ND1 3Å; V173-I251 HydrophobicContact CG1-CG2 4.22Å; V173-I251 HydrophobicContact CG2-CG2 4.13Å
174	R	96.5	Very high	93.7	Very high	39 Å²	39	61.8 Å²	61.8	15%	0.147	32%	0.318	C	S	.	.			trans	-130.8	162.2	-179.3	-51.4	-172.2	58.2	110.3	-6.7	110.9	V172 E180 Q192 H214	V172-R174 HydrophobicContact CB-CG 4.35Å; V172-R174 HydrophobicContact CG1-CG 3.93Å; V172-R174 PolarHBondContact O-N 3Å; R174-E180 IonicContact NH2-OE1 3.64Å; R174-E180 PolarHBondContact NH2-OE1 2.9Å; R174-Q192 VanDerWaalsContact NH2-CB 3.3Å; R174-H214 PolarHBondContact NH1-CE1 3.41Å; R174-H214 PolarHBondContact NH1-NE2 2.96Å
175	R	97.1	Very high	92.8	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.011	32%	0.319	C	S	.	.			trans	-63.7	156.2	165.2	-69.7	177.7	70.4	-159.4	8.1	110	H179 D184 P191 Q192 H193 M237 C238	R175-H179 HydrophobicContact CB-CB 4.28Å; R175-H179 PolarHBondContact NH1-O 2.87Å; R175-H179 PolarHBondContact NH2-O 2.85Å; R175-D184 IonicContact CZ-OD1 2.7Å; R175-D184 IonicContact CZ-OD2 2.81Å; R175-D184 IonicContact NH1-OD1 3.95Å; R175-D184 PolarHBondContact NH1-OD1 2.88Å; R175-D184 IonicContact NH1-OD2 3.37Å; R175-D184 IonicContact NH2-OD1 3.55Å; R175-D184 PolarHBondContact NH2-OD1 3.08Å; R175-D184 IonicContact NH2-OD2 3.41Å; R175-D184 PolarHBondContact NH2-OD2 2.97Å; R175-P191 VanDerWaalsContact CD-O 3.24Å; R175-P191 WeakPolarHBondContact CD-O 3.36Å; R175-P191 PolarHBondContact NH1-O 3.42Å; R175-Q192 PolarHBondContact N-O 3.35Å; R175-Q192 VanDerWaalsContact N-O 3.1Å; R175-H193 WeakPolarHBondContact CD-O 3.48Å; R175-M237 HydrophobicContact CG-CB 4.33Å; R175-M237 PolarHBondContact NE-O 3.06Å; R175-C238 HydrophobicContact CG-CB 4.28Å
176	C	96.5	Very high	91.9	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.027	32%	0.323	C	S	.	.			trans	-72.6	159.2	174.5	66.7	0	0	0	0	110.4	H178 H179 E180 C242 M243	C176-H178 PolarHBondContact O-N 2.89Å; C176-H178 VanDerWaalsContact O-N 3.08Å; C176-H179 PolarHBondContact O-N 2.77Å; C176-H179 PolarHBondContact SG-ND1 2.82Å; C176-H179 VanDerWaalsContact SG-ND1 3.4Å; C176-E180 WeakPolarHBondContact O-CB 3.33Å; C176-E180 PolarHBondContact O-N 2.94Å; C176-C242 HydrophobicContact CB-CB 3.97Å; C176-M243 WeakPolarHBondContact CB-O 3.47Å
177	P	95	Very high	91.3	Very high	25 Å²	25	59 Å²	59	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-29.5	-179.5	-27	34.5	0	0	0	114.4	P89 R181 G244	P89-P177 HydrophobicContact CG-CG 4.2Å; P177-R181 WeakPolarHBondContact O-CB 3.31Å; P177-R181 WeakPolarHBondContact O-CG 3.18Å; P177-R181 VanDerWaalsContact O-CZ 3.23Å; P177-R181 PolarHBondContact O-N 3.05Å; P177-R181 PolarHBondContact O-NE 3.38Å; P177-G244 WeakPolarHBondContact CD-O 3.42Å
178	H	95.1	Very high	91	Very high	139 Å²	139	58.2 Å²	58.2	64%	0.644	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-46.5	175.7	177.6	69.6	0	0	0	111.9	C176 C182	C176-H178 PolarHBondContact O-N 2.89Å; C176-H178 VanDerWaalsContact O-N 3.08Å; H178-C182 PolarHBondContact O-N 2.87Å
179	H	95.1	Very high	90.9	Very high	26 Å²	26	56.5 Å²	56.5	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-76.7	-33.6	-179.9	-77.1	150.2	0	0	0	112.7	R175 C176 R181 C182 C238 C242	R175-H179 HydrophobicContact CB-CB 4.28Å; R175-H179 PolarHBondContact NH1-O 2.87Å; R175-H179 PolarHBondContact NH2-O 2.85Å; C176-H179 PolarHBondContact O-N 2.77Å; C176-H179 PolarHBondContact SG-ND1 2.82Å; C176-H179 VanDerWaalsContact SG-ND1 3.4Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 PolarHBondContact O-N 3.14Å; H179-C182 WeakPolarHBondContact O-CB 3.35Å; H179-C182 PolarHBondContact O-N 2.78Å; H179-C238 PolarHBondContact ND1-SG 2.71Å; H179-C242 PolarHBondContact CE1-SG 2.87Å
180	E	93.8	Very high	90.9	Very high	44 Å²	44	56.5 Å²	56.5	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-30.8	175.5	-175.8	174.1	-170.9	0	0	112.4	R174 C176 P191 Q192	R174-E180 IonicContact NH2-OE1 3.64Å; R174-E180 PolarHBondContact NH2-OE1 2.9Å; C176-E180 WeakPolarHBondContact O-CB 3.33Å; C176-E180 PolarHBondContact O-N 2.94Å; E180-P191 WeakPolarHBondContact O-CB 3.28Å; E180-Q192 HydrophobicContact CG-CB 4.23Å; E180-Q192 WeakPolarHBondContact OE1-CB 3.38Å
181	R	92.5	Very high	90.8	Very high	190 Å²	190	56.7 Å²	56.7	72%	0.717	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.1	176.1	-70.4	-172.7	-70.5	-97.6	4.2	114.2	P177 H179	P177-R181 WeakPolarHBondContact O-CB 3.31Å; P177-R181 WeakPolarHBondContact O-CG 3.18Å; P177-R181 VanDerWaalsContact O-CZ 3.23Å; P177-R181 PolarHBondContact O-N 3.05Å; P177-R181 PolarHBondContact O-NE 3.38Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 PolarHBondContact O-N 3.14Å
182	C	87.6	Confident	90.7	Very high	63 Å²	63	54.5 Å²	54.5	43%	0.426	31%	0.309	S	S	.	.	S	Bend	trans	-74.9	136.4	177.4	-167.6	0	0	0	0	109.5	H178 H179 D184	H178-C182 PolarHBondContact O-N 2.87Å; H179-C182 WeakPolarHBondContact O-CB 3.35Å; H179-C182 PolarHBondContact O-N 2.78Å; C182-D184 PolarHBondContact O-N 3.34Å
183	S	76.6	Confident	90.7	Very high	125 Å²	125	54.2 Å²	54.2	87%	0.874	31%	0.307	S	S	*	.			trans	-76.5	39.2	179	-52.5	0	0	0	0	113	S185	S183-S185 PolarHBondContact O-N 2.88Å
184	D	79.2	Confident	90.7	Very high	55 Å²	55	54.1 Å²	54.1	29%	0.294	31%	0.307	S	S	.	.			trans	-88.2	27.9	-179.6	76	-22.8	0	0	0	113	R175 C182 R196	R175-D184 IonicContact CZ-OD1 2.7Å; R175-D184 IonicContact CZ-OD2 2.81Å; R175-D184 IonicContact NH1-OD1 3.95Å; R175-D184 PolarHBondContact NH1-OD1 2.88Å; R175-D184 IonicContact NH1-OD2 3.37Å; R175-D184 IonicContact NH2-OD1 3.55Å; R175-D184 PolarHBondContact NH2-OD1 3.08Å; R175-D184 IonicContact NH2-OD2 3.41Å; R175-D184 PolarHBondContact NH2-OD2 2.97Å; C182-D184 PolarHBondContact O-N 3.34Å; D184-R196 PolarHBondContact O-NH1 2.86Å; D184-R196 PolarHBondContact O-NH2 2.72Å; D184-R196 VanDerWaalsContact O-NH2 3.15Å; D184-R196 IonicContact OD1-NH2 3.26Å; D184-R196 PolarHBondContact OD1-NH2 3.02Å; D184-R196 IonicContact OD2-NH2 2.96Å
185	S	78.2	Confident	90.8	Very high	64 Å²	64	52.7 Å²	52.7	45%	0.448	30%	0.302	S	S	.	.			trans	-76.8	134	-179.8	-174.9	0	0	0	0	110.6	S183 G187 A189	S183-S185 PolarHBondContact O-N 2.88Å; S185-G187 PolarHBondContact O-N 2.91Å; S185-G187 PolarHBondContact OG-N 2.86Å; S185-A189 PolarHBondContact OG-O 2.76Å
186	D	77.2	Confident	90.8	Very high	84 Å²	84	52.9 Å²	52.9	45%	0.449	30%	0.302	S	S	.	.			trans	-80.5	4.1	168.3	49.6	28.3	0	0	0	112.1	L188 A189 R196	D186-L188 PolarHBondContact O-N 2.8Å; D186-L188 PolarHBondContact OD1-N 2.76Å; D186-A189 WeakPolarHBondContact OD1-CB 3.42Å; D186-A189 PolarHBondContact OD1-N 2.64Å; D186-R196 WeakPolarHBondContact OD2-CD 3.44Å; D186-R196 IonicContact OD2-NH1 2.72Å; D186-R196 PolarHBondContact OD2-NH1 2.85Å
187	G	83.5	Confident	90.9	Very high	68 Å²	68	53.2 Å²	53.2	70%	0.701	30%	0.304	S	S	*	.	S	Bend	trans	83.3	-15.5	-176.8	0	0	0	0	0	114.2	S185	S185-G187 PolarHBondContact O-N 2.91Å; S185-G187 PolarHBondContact OG-N 2.86Å
188	L	88.4	Confident	90.9	Very high	91 Å²	91	56 Å²	56	48%	0.476	32%	0.315	S	S	.	.	S	Bend	trans	-102.7	-42	-179.2	-62.6	175.5	0	0	0	111.9	D186 L201 V203 Y205	D186-L188 PolarHBondContact O-N 2.8Å; D186-L188 PolarHBondContact OD1-N 2.76Å; L188-L201 HydrophobicContact CD1-CD2 4.48Å; L188-V203 HydrophobicContact CB-CG1 4.45Å; L188-V203 HydrophobicContact CD1-CG1 4Å; L188-Y205 HydrophobicContact CB-CE2 4.17Å; L188-Y205 VanDerWaalsContact O-CD2 3.25Å; L188-Y205 WeakPolarHBondContact O-CD2 3.39Å
189	A	93.3	Very high	90.7	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	33%	0.327	C	S	.	.	S	Bend	trans	-85.5	124.6	-175.3	0	0	0	0	0	111.6	S185 D186 R196 Y205	S185-A189 PolarHBondContact OG-O 2.76Å; D186-A189 WeakPolarHBondContact OD1-CB 3.42Å; D186-A189 PolarHBondContact OD1-N 2.64Å; A189-R196 HydrophobicContact CB-CG 3.74Å; A189-Y205 HydrophobicContact CB-CD1 4.37Å; A189-Y205 HydrophobicContact CB-CD2 4.35Å; A189-Y205 HydrophobicContact CB-CE1 3.76Å; A189-Y205 HydrophobicContact CB-CE2 3.76Å; A189-Y205 VanDerWaalsContact CB-CZ 3.43Å
190	P	94.5	Very high	90.6	Very high	37 Å²	37	53.8 Å²	53.8	24%	0.24	33%	0.329	C	S	.	.			trans	-62.1	142.2	172	-15.5	26.8	0	0	0	110.3	Q192 H193 Y205	P190-Q192 PolarHBondContact O-N 3.34Å; P190-H193 PolarHBondContact O-N 3.37Å; P190-Y205 VanDerWaalsContact CD-CB 3.41Å; P190-Y205 VanDerWaalsContact CD-CG 3.49Å
191	P	94.9	Very high	90.6	Very high	60 Å²	60	59.2 Å²	59.2	39%	0.39	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.1	-167	24.7	-35.5	0	0	0	114.4	R175 E180	R175-P191 VanDerWaalsContact CD-O 3.24Å; R175-P191 WeakPolarHBondContact CD-O 3.36Å; R175-P191 PolarHBondContact NH1-O 3.42Å; E180-P191 WeakPolarHBondContact O-CB 3.28Å
192	Q	95.1	Very high	90.7	Very high	10 Å²	10	57 Å²	57	5%	0.047	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.8	178.3	53.4	75.3	-7.6	0	0	114.2	R174 R175 E180 P190 L194 D207 H214	R174-Q192 VanDerWaalsContact NH2-CB 3.3Å; R175-Q192 PolarHBondContact N-O 3.35Å; R175-Q192 VanDerWaalsContact N-O 3.1Å; E180-Q192 HydrophobicContact CG-CB 4.23Å; E180-Q192 WeakPolarHBondContact OE1-CB 3.38Å; P190-Q192 PolarHBondContact O-N 3.34Å; Q192-L194 PolarHBondContact O-N 2.97Å; Q192-D207 PolarHBondContact NE2-OD1 2.6Å; Q192-D207 PolarHBondContact NE2-OD2 3.1Å; Q192-H214 PolarHBondContact NE2-CD2 2.67Å; Q192-H214 VanDerWaalsContact NE2-CD2 3.33Å; Q192-H214 PolarHBondContact NE2-NE2 2.8Å; Q192-H214 PolarHBondContact OE1-CD2 2.82Å; Q192-H214 PolarHBondContact OE1-CE1 2.81Å; Q192-H214 PolarHBondContact OE1-ND1 2.83Å; Q192-H214 PolarHBondContact OE1-NE2 2.93Å
193	H	97.3	Very high	91.2	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.014	34%	0.335	C	S	.	.			trans	-71.4	125.6	-170.3	-85.5	-110.6	0	0	0	110.2	R175 P190 Y205 D207 S215	R175-H193 WeakPolarHBondContact CD-O 3.48Å; P190-H193 PolarHBondContact O-N 3.37Å; H193-Y205 HydrophobicContact CB-CD1 4.31Å; H193-Y205 AromaticContact CE1-CD1 3.95Å; H193-Y205 AromaticContact CG-CD1 3.85Å; H193-Y205 AromaticContact ND1-CD1 3.52Å; H193-D207 IonicContact CD2-OD1 2.67Å; H193-D207 IonicContact CE1-OD1 2.72Å; H193-D207 PolarHBondContact CE1-OD1 3.28Å; H193-D207 IonicContact NE2-OD1 3.9Å; H193-D207 PolarHBondContact NE2-OD1 3.39Å; H193-S215 PolarHBondContact CE1-O 2.95Å
194	L	98	Very high	92.2	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	32%	0.317	C	S	.	.	S	Bend	trans	-71.3	-40.4	177.2	177	63.9	0	0	0	112.2	A161 V173 Q192 Y236 M237 C238 M246 I251	A161-L194 HydrophobicContact CB-CD2 4.23Å; V173-L194 HydrophobicContact CG1-CB 4.4Å; V173-L194 HydrophobicContact CG1-CD2 3.42Å; V173-L194 VanDerWaalsContact CG1-CD2 3.42Å; Q192-L194 PolarHBondContact O-N 2.97Å; L194-Y236 HydrophobicContact CD2-CD1 4.46Å; L194-Y236 HydrophobicContact CG-CD1 4.31Å; L194-Y236 WeakPolarHBondContact O-CA 3.5Å; L194-M237 PolarHBondContact O-N 2.86Å; L194-C238 HydrophobicContact CD1-CB 3.45Å; L194-C238 VanDerWaalsContact CD1-CB 3.45Å; L194-M246 HydrophobicContact CD1-CE 4.03Å; L194-M246 HydrophobicContact CD2-CE 4.25Å; L194-M246 HydrophobicContact CD2-SD 4.12Å; L194-I251 HydrophobicContact CD2-CD1 3.6Å
195	I	98.3	Very high	93	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.4	-174.5	-53.2	178.7	0	0	0	108.4	A159 A161 V216 Y234 N235 Y236 T253	A159-I195 HydrophobicContact CB-CD1 4.44Å; A159-I195 HydrophobicContact CB-CG2 4.33Å; A161-I195 HydrophobicContact CB-CD1 3.94Å; A161-I195 HydrophobicContact CB-CG1 4.42Å; I195-V216 HydrophobicContact CB-CG1 4.25Å; I195-V216 HydrophobicContact CG2-CG1 3.83Å; I195-Y234 HydrophobicContact CG2-CD1 3.6Å; I195-Y234 HydrophobicContact CG2-CE1 4.27Å; I195-Y234 HydrophobicContact CG2-CG 4.27Å; I195-N235 WeakPolarHBondContact CA-O 3.33Å; I195-Y236 HydrophobicContact CD1-CE1 4.07Å; I195-Y236 HydrophobicContact CG1-CD1 4.14Å; I195-Y236 HydrophobicContact CG1-CE1 3.78Å; I195-T253 HydrophobicContact CD1-CG2 3.96Å
196	R	97.6	Very high	93.9	Very high	8 Å²	8	53.7 Å²	53.7	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	159.1	170.2	-63.8	-171.2	-173.2	177.5	10.3	110.9	D184 D186 A189 Y205 Y234 N235 M237	D184-R196 PolarHBondContact O-NH1 2.86Å; D184-R196 PolarHBondContact O-NH2 2.72Å; D184-R196 VanDerWaalsContact O-NH2 3.15Å; D184-R196 IonicContact OD1-NH2 3.26Å; D184-R196 PolarHBondContact OD1-NH2 3.02Å; D184-R196 IonicContact OD2-NH2 2.96Å; D186-R196 WeakPolarHBondContact OD2-CD 3.44Å; D186-R196 IonicContact OD2-NH1 2.72Å; D186-R196 PolarHBondContact OD2-NH1 2.85Å; A189-R196 HydrophobicContact CB-CG 3.74Å; R196-Y205 WeakPolarHBondContact CA-OH 3.23Å; R196-Y205 WeakPolarHBondContact CB-OH 3.45Å; R196-Y205 HydrophobicContact CG-CE1 4.29Å; R196-Y234 CarbonylContact O-C 3.51Å; R196-Y234 VanDerWaalsContact O-CA 3.24Å; R196-Y234 WeakPolarHBondContact O-CA 3.47Å; R196-N235 HydrophobicContact CB-CB 4.4Å; R196-N235 PolarHBondContact N-O 3.45Å; R196-N235 PolarHBondContact O-N 3.27Å; R196-M237 HydrophobicContact CB-CG 4.42Å; R196-M237 HydrophobicContact CG-CG 3.68Å; R196-M237 HydrophobicContact CG-SD 4.26Å
197	V	97.6	Very high	94.9	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129	169.7	177.1	0	0	0	0	109.4	N200 V203 Y205 V216 V218 I232 H233 Y234	V197-N200 HydrophobicContact CG1-CB 4.08Å; V197-V203 HydrophobicContact CB-CG2 3.97Å; V197-V203 HydrophobicContact CG2-CG2 4.32Å; V197-Y205 PolarHBondContact N-OH 3.32Å; V197-V216 HydrophobicContact CB-CG2 4.28Å; V197-V216 HydrophobicContact CG2-CB 4.47Å; V197-V216 HydrophobicContact CG2-CG1 3.98Å; V197-V216 HydrophobicContact CG2-CG2 3.62Å; V197-V218 HydrophobicContact CB-CG1 4.3Å; V197-V218 HydrophobicContact CG1-CG1 3.94Å; V197-V218 HydrophobicContact CG2-CG1 4.18Å; V197-I232 HydrophobicContact CG1-CG2 3.92Å; V197-I232 HydrophobicContact CG2-CG2 4.18Å; V197-H233 WeakPolarHBondContact CA-O 3.49Å; V197-Y234 HydrophobicContact CG2-CD1 3.65Å; V197-Y234 HydrophobicContact CG2-CE1 3.49Å; V197-Y234 VanDerWaalsContact CG2-CE1 3.49Å
198	E	94.4	Very high	95.5	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.1	179.2	-167.7	177.6	166.2	0	0	110.6	T140 N200 H233 N235	T140-E198 WeakPolarHBondContact CB-OE2 3.48Å; T140-E198 WeakPolarHBondContact CG2-OE2 3.43Å; T140-E198 PolarHBondContact OG1-OE2 2.64Å; E198-N200 VanDerWaalsContact C-N 3.31Å; E198-N200 PolarHBondContact O-N 3.31Å; E198-H233 HydrophobicContact CB-CB 4Å; E198-H233 PolarHBondContact N-O 3.5Å; E198-N235 PolarHBondContact OE2-ND2 2.89Å
199	G	92.2	Very high	95.7	Very high	87 Å²	87	58.9 Å²	58.9	90%	0.897	30%	0.303	S	S	*	.	S	Bend	trans	73.5	12.8	169.8	0	0	0	0	0	116.1
200	N	92.1	Very high	95.8	Very high	30 Å²	30	65 Å²	65	16%	0.16	34%	0.335	C	S	.	.			trans	-127.4	112.3	176.2	-162.2	-39.3	0	0	0	111.6	V197 E198 R202 V203 V218 E221	V197-N200 HydrophobicContact CG1-CB 4.08Å; E198-N200 VanDerWaalsContact C-N 3.31Å; E198-N200 PolarHBondContact O-N 3.31Å; N200-R202 VanDerWaalsContact C-N 3.29Å; N200-R202 PolarHBondContact O-N 3.33Å; N200-R202 WeakPolarHBondContact OD1-CA 3.27Å; N200-R202 WeakPolarHBondContact OD1-CB 3.39Å; N200-R202 PolarHBondContact OD1-N 3.28Å; N200-V203 WeakPolarHBondContact O-CB 3.37Å; N200-V203 WeakPolarHBondContact O-CG1 3.27Å; N200-V203 PolarHBondContact O-N 3.47Å; N200-V218 HydrophobicContact CB-CG1 4.31Å; N200-E221 PolarHBondContact ND2-OE1 3.31Å
201	L	93.9	Very high	95.8	Very high	159 Å²	159	64.2 Å²	64.2	83%	0.832	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.3	178.8	-62.7	178.5	0	0	0	113.6	L188 V203	L188-L201 HydrophobicContact CD1-CD2 4.48Å; L201-V203 PolarHBondContact O-N 3.22Å
202	R	95.9	Very high	95.9	Very high	143 Å²	143	65.7 Å²	65.7	54%	0.54	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	16.9	176	-59.7	-177.7	-74.1	-115.5	-1.8	112.2	N200 P219 E221	N200-R202 VanDerWaalsContact C-N 3.29Å; N200-R202 PolarHBondContact O-N 3.33Å; N200-R202 WeakPolarHBondContact OD1-CA 3.27Å; N200-R202 WeakPolarHBondContact OD1-CB 3.39Å; N200-R202 PolarHBondContact OD1-N 3.28Å; R202-P219 HydrophobicContact CB-CG 3.84Å; R202-P219 VanDerWaalsContact O-CD 3.3Å; R202-P219 WeakPolarHBondContact O-CD 3.49Å; R202-E221 IonicContact CZ-OE1 3.4Å; R202-E221 IonicContact NE-OE1 3.89Å; R202-E221 IonicContact NH2-OE1 3.56Å; R202-E221 PolarHBondContact NH2-OE1 3.37Å; R202-E221 IonicContact NH2-OE2 3.09Å; R202-E221 PolarHBondContact NH2-OE2 2.91Å
203	V	97.1	Very high	96	Very high	16 Å²	16	65.4 Å²	65.4	10%	0.097	33%	0.329	C	S	.	.			trans	-71.1	135.3	177.3	65.7	0	0	0	0	110.9	L188 V197 N200 L201 Y205 V216 V217 V218	L188-V203 HydrophobicContact CB-CG1 4.45Å; L188-V203 HydrophobicContact CD1-CG1 4Å; V197-V203 HydrophobicContact CB-CG2 3.97Å; V197-V203 HydrophobicContact CG2-CG2 4.32Å; N200-V203 WeakPolarHBondContact O-CB 3.37Å; N200-V203 WeakPolarHBondContact O-CG1 3.27Å; N200-V203 PolarHBondContact O-N 3.47Å; L201-V203 PolarHBondContact O-N 3.22Å; V203-Y205 HydrophobicContact CB-CE2 4.45Å; V203-Y205 HydrophobicContact CG1-CE2 3.84Å; V203-Y205 HydrophobicContact CG2-CD2 4.23Å; V203-Y205 HydrophobicContact CG2-CE2 3.72Å; V203-V216 HydrophobicContact CG2-CG2 3.23Å; V203-V217 WeakPolarHBondContact CA-O 3.46Å; V203-V218 HydrophobicContact CB-CG1 4.01Å; V203-V218 HydrophobicContact CG2-CG1 4.02Å
204	E	97.1	Very high	96.1	Very high	107 Å²	107	66 Å²	66	50%	0.5	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.8	174.5	-68.2	174.2	-149.6	0	0	109.3	V217	E204-V217 HydrophobicContact CB-CB 4.41Å; E204-V217 PolarHBondContact N-O 3.23Å; E204-V217 PolarHBondContact O-N 2.85Å
205	Y	97.6	Very high	96.1	Very high	38 Å²	38	66 Å²	66	15%	0.149	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.5	173.2	-68.2	-89.2	0	0	0	109.5	L188 A189 P190 H193 R196 V197 V203 V216	L188-Y205 HydrophobicContact CB-CE2 4.17Å; L188-Y205 VanDerWaalsContact O-CD2 3.25Å; L188-Y205 WeakPolarHBondContact O-CD2 3.39Å; A189-Y205 HydrophobicContact CB-CD1 4.37Å; A189-Y205 HydrophobicContact CB-CD2 4.35Å; A189-Y205 HydrophobicContact CB-CE1 3.76Å; A189-Y205 HydrophobicContact CB-CE2 3.76Å; A189-Y205 VanDerWaalsContact CB-CZ 3.43Å; P190-Y205 VanDerWaalsContact CD-CB 3.41Å; P190-Y205 VanDerWaalsContact CD-CG 3.49Å; H193-Y205 HydrophobicContact CB-CD1 4.31Å; H193-Y205 AromaticContact CE1-CD1 3.95Å; H193-Y205 AromaticContact CG-CD1 3.85Å; H193-Y205 AromaticContact ND1-CD1 3.52Å; R196-Y205 WeakPolarHBondContact CA-OH 3.23Å; R196-Y205 WeakPolarHBondContact CB-OH 3.45Å; R196-Y205 HydrophobicContact CG-CE1 4.29Å; V197-Y205 PolarHBondContact N-OH 3.32Å; V203-Y205 HydrophobicContact CB-CE2 4.45Å; V203-Y205 HydrophobicContact CG1-CE2 3.84Å; V203-Y205 HydrophobicContact CG2-CD2 4.23Å; V203-Y205 HydrophobicContact CG2-CE2 3.72Å; Y205-V216 HydrophobicContact CD1-CB 3.93Å; Y205-V216 HydrophobicContact CD1-CG2 3.84Å; Y205-V216 HydrophobicContact CE1-CB 3.86Å; Y205-V216 HydrophobicContact CE1-CG2 3.53Å; Y205-V216 HydrophobicContact CE2-CG2 4.42Å; Y205-V216 HydrophobicContact CG-CG2 4.41Å
206	L	96.7	Very high	96.1	Very high	76 Å²	76	65.7 Å²	65.7	40%	0.398	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.2	-176.9	-177.6	67.2	0	0	0	111.4	H214 S215	L206-H214 WeakPolarHBondContact O-CA 3.37Å; L206-S215 PolarHBondContact N-O 2.77Å; L206-S215 PolarHBondContact O-N 2.84Å
207	D	96.7	Very high	96.1	Very high	75 Å²	75	65.5 Å²	65.5	40%	0.401	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	102.7	164.6	-67.1	-16	0	0	0	108.5	Q192 H193 R209 H214	Q192-D207 PolarHBondContact NE2-OD1 2.6Å; Q192-D207 PolarHBondContact NE2-OD2 3.1Å; H193-D207 IonicContact CD2-OD1 2.67Å; H193-D207 IonicContact CE1-OD1 2.72Å; H193-D207 PolarHBondContact CE1-OD1 3.28Å; H193-D207 IonicContact NE2-OD1 3.9Å; H193-D207 PolarHBondContact NE2-OD1 3.39Å; D207-R209 PolarHBondContact O-N 2.73Å; D207-H214 IonicContact OD1-CD2 3.42Å; D207-H214 PolarHBondContact OD1-CD2 2.92Å; D207-H214 IonicContact OD1-CG 3.15Å; D207-H214 IonicContact OD1-NE2 2.64Å
208	D	96	Very high	96.1	Very high	48 Å²	48	65.1 Å²	65.1	26%	0.257	33%	0.328	S	S	.	.			trans	-66.1	119.9	-177.4	-175.3	-41	0	0	0	110.2	N210 T211 F212 R213	D208-N210 PolarHBondContact O-N 2.79Å; D208-N210 WeakPolarHBondContact OD1-CA 3.48Å; D208-N210 WeakPolarHBondContact OD1-CB 3.27Å; D208-N210 PolarHBondContact OD1-N 3.06Å; D208-T211 VanDerWaalsContact CB-OG1 3.29Å; D208-T211 WeakPolarHBondContact CB-OG1 3.24Å; D208-T211 PolarHBondContact OD1-N 2.89Å; D208-T211 PolarHBondContact OD1-OG1 3.14Å; D208-T211 PolarHBondContact OD2-OG1 3.21Å; D208-F212 WeakPolarHBondContact O-CA 3.41Å; D208-F212 PolarHBondContact O-N 2.95Å; D208-R213 WeakPolarHBondContact CB-O 3.37Å; D208-R213 PolarHBondContact N-O 2.81Å
209	R	94.7	Very high	96.3	Very high	230 Å²	230	63.1 Å²	63.1	87%	0.868	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.6	-177.1	-65.5	-175.4	176.7	-174.3	-0.9	113.7	D207	D207-R209 PolarHBondContact O-N 2.73Å
210	N	94.7	Very high	96.6	Very high	131 Å²	131	60.1 Å²	60.1	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-43	-177.6	-65.1	74.2	0	0	0	111.1	D208	D208-N210 PolarHBondContact O-N 2.79Å; D208-N210 WeakPolarHBondContact OD1-CA 3.48Å; D208-N210 WeakPolarHBondContact OD1-CB 3.27Å; D208-N210 PolarHBondContact OD1-N 3.06Å
211	T	95.1	Very high	96.8	Very high	21 Å²	21	62.2 Å²	62.2	13%	0.129	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-11.6	-176	71	0	0	0	0	113.7	S94 S96 D208 R213	S94-T211 WeakPolarHBondContact CB-O 3.39Å; S94-T211 PolarHBondContact OG-O 2.63Å; S96-T211 WeakPolarHBondContact OG-CG2 3.46Å; D208-T211 VanDerWaalsContact CB-OG1 3.29Å; D208-T211 WeakPolarHBondContact CB-OG1 3.24Å; D208-T211 PolarHBondContact OD1-N 2.89Å; D208-T211 PolarHBondContact OD1-OG1 3.14Å; D208-T211 PolarHBondContact OD2-OG1 3.21Å; T211-R213 PolarHBondContact O-N 2.96Å; T211-R213 VanDerWaalsContact O-N 3.13Å; T211-R213 PolarHBondContact OG1-N 3.03Å
212	F	96.3	Very high	96.9	Very high	90 Å²	90	58.3 Å²	58.3	40%	0.395	28%	0.277	S	S	.	.			trans	60.7	8.5	-172.4	-50.1	-63.9	0	0	0	114.6	P92 V172 D208	P92-F212 HydrophobicContact CB-CD2 4.14Å; P92-F212 HydrophobicContact CB-CE2 4.12Å; P92-F212 HydrophobicContact CG-CD1 4.49Å; P92-F212 HydrophobicContact CG-CD2 4.15Å; P92-F212 HydrophobicContact CG-CE2 4.38Å; P92-F212 HydrophobicContact CG-CG 4.21Å; V172-F212 WeakPolarHBondContact CG1-O 3.16Å; V172-F212 HydrophobicContact CG2-CB 4.03Å; D208-F212 WeakPolarHBondContact O-CA 3.41Å; D208-F212 PolarHBondContact O-N 2.95Å
213	R	97.6	Very high	96.9	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.019	26%	0.264	C	S	.	.			trans	-80.4	143	-176.6	-64.9	-173.1	179.7	-81.1	1.2	110.8	S94 S96 M160 M169 V172 D208 T211	S94-R213 PolarHBondContact OG-NE 2.92Å; S96-R213 PolarHBondContact O-NE 2.82Å; S96-R213 PolarHBondContact O-NH2 2.96Å; M160-R213 HydrophobicContact CE-CB 3.96Å; M160-R213 HydrophobicContact SD-CB 4.03Å; M169-R213 PolarHBondContact O-NH2 3.46Å; V172-R213 HydrophobicContact CG2-CG 4.47Å; D208-R213 WeakPolarHBondContact CB-O 3.37Å; D208-R213 PolarHBondContact N-O 2.81Å; T211-R213 PolarHBondContact O-N 2.96Å; T211-R213 VanDerWaalsContact O-N 3.13Å; T211-R213 PolarHBondContact OG1-N 3.03Å
214	H	98	Very high	96.8	Very high	15 Å²	15	60.6 Å²	60.6	7%	0.069	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137	176.5	-49.4	146.5	0	0	0	109.6	V173 R174 Q192 L206 D207	V173-H214 PolarHBondContact O-ND1 3Å; R174-H214 PolarHBondContact NH1-CE1 3.41Å; R174-H214 PolarHBondContact NH1-NE2 2.96Å; Q192-H214 PolarHBondContact NE2-CD2 2.67Å; Q192-H214 VanDerWaalsContact NE2-CD2 3.33Å; Q192-H214 PolarHBondContact NE2-NE2 2.8Å; Q192-H214 PolarHBondContact OE1-CD2 2.82Å; Q192-H214 PolarHBondContact OE1-CE1 2.81Å; Q192-H214 PolarHBondContact OE1-ND1 2.83Å; Q192-H214 PolarHBondContact OE1-NE2 2.93Å; L206-H214 WeakPolarHBondContact O-CA 3.37Å; D207-H214 IonicContact OD1-CD2 3.42Å; D207-H214 PolarHBondContact OD1-CD2 2.92Å; D207-H214 IonicContact OD1-CG 3.15Å; D207-H214 IonicContact OD1-NE2 2.64Å
215	S	98.3	Very high	96.7	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.028	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.2	172	59.6	0	0	0	0	111	R158 A159 H193 L206	R158-S215 PolarHBondContact NH1-OG 3.09Å; A159-S215 VanDerWaalsContact O-CA 3.31Å; A159-S215 WeakPolarHBondContact O-CA 3.46Å; A159-S215 WeakPolarHBondContact O-CB 3.47Å; H193-S215 PolarHBondContact CE1-O 2.95Å; L206-S215 PolarHBondContact N-O 2.77Å; L206-S215 PolarHBondContact O-N 2.84Å
216	V	98.3	Very high	96.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.5	172.8	61.5	0	0	0	0	108.5	R158 A159 I195 V197 V203 Y205 Y234	R158-V216 CarbonylContact C-O 3.6Å; R158-V216 WeakPolarHBondContact CA-O 3.39Å; A159-V216 HydrophobicContact CB-CG1 3.89Å; A159-V216 PolarHBondContact N-O 3.05Å; A159-V216 PolarHBondContact O-N 2.88Å; I195-V216 HydrophobicContact CB-CG1 4.25Å; I195-V216 HydrophobicContact CG2-CG1 3.83Å; V197-V216 HydrophobicContact CB-CG2 4.28Å; V197-V216 HydrophobicContact CG2-CB 4.47Å; V197-V216 HydrophobicContact CG2-CG1 3.98Å; V197-V216 HydrophobicContact CG2-CG2 3.62Å; V203-V216 HydrophobicContact CG2-CG2 3.23Å; Y205-V216 HydrophobicContact CD1-CB 3.93Å; Y205-V216 HydrophobicContact CD1-CG2 3.84Å; Y205-V216 HydrophobicContact CE1-CB 3.86Å; Y205-V216 HydrophobicContact CE1-CG2 3.53Å; Y205-V216 HydrophobicContact CE2-CG2 4.42Å; Y205-V216 HydrophobicContact CG-CG2 4.41Å; V216-Y234 HydrophobicContact CG1-CE1 4.2Å
217	V	98.3	Very high	96.5	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.5	-174.7	-170.4	0	0	0	0	109.1	R156 V157 R158 V203 E204	R156-V217 HydrophobicContact CB-CG1 3.73Å; R156-V217 HydrophobicContact CG-CG1 4.3Å; V157-V217 WeakPolarHBondContact O-CA 3.39Å; R158-V217 HydrophobicContact CB-CG2 4.05Å; R158-V217 HydrophobicContact CG-CG2 4Å; R158-V217 VanDerWaalsContact CZ-CG2 3.48Å; V203-V217 WeakPolarHBondContact CA-O 3.46Å; E204-V217 HydrophobicContact CB-CB 4.41Å; E204-V217 PolarHBondContact N-O 3.23Å; E204-V217 PolarHBondContact O-N 2.85Å
218	V	98.2	Very high	96.4	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.024	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.2	167.8	-68.3	0	0	0	0	110.1	R156 V157 V197 N200 V203 I232	R156-V218 CarbonylContact C-O 3.58Å; R156-V218 WeakPolarHBondContact CA-O 3.41Å; V157-V218 HydrophobicContact CB-CG2 4.2Å; V157-V218 PolarHBondContact N-O 2.73Å; V157-V218 PolarHBondContact O-N 3.31Å; V197-V218 HydrophobicContact CB-CG1 4.3Å; V197-V218 HydrophobicContact CG1-CG1 3.94Å; V197-V218 HydrophobicContact CG2-CG1 4.18Å; N200-V218 HydrophobicContact CB-CG1 4.31Å; V203-V218 HydrophobicContact CB-CG1 4.01Å; V203-V218 HydrophobicContact CG2-CG1 4.02Å; V218-I232 HydrophobicContact CG2-CD1 3.52Å; V218-I232 HydrophobicContact CG2-CG1 4.29Å
219	P	98	Very high	96.4	Very high	42 Å²	42	65 Å²	65	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	139.2	167	-24.6	34.8	0	0	0	110.9	R202 E221	R202-P219 HydrophobicContact CB-CG 3.84Å; R202-P219 VanDerWaalsContact O-CD 3.3Å; R202-P219 WeakPolarHBondContact O-CD 3.49Å; P219-E221 PolarHBondContact O-N 3Å
220	Y	97.9	Very high	96.5	Very high	24 Å²	24	55 Å²	55	9%	0.094	32%	0.32	C	S	.	.			trans	-71.1	128.2	169.7	171.7	-94.2	0	0	0	109.2	L145 V147 P151 T155 V157 P222 L257	L145-Y220 HydrophobicContact CD1-CD2 4.44Å; V147-Y220 VanDerWaalsContact CG2-OH 3.26Å; V147-Y220 WeakPolarHBondContact CG2-OH 3.44Å; P151-Y220 VanDerWaalsContact CD-CE1 3.48Å; P151-Y220 HydrophobicContact CG-CD1 3.54Å; P151-Y220 HydrophobicContact CG-CE1 3.37Å; P151-Y220 HydrophobicContact CG-CE2 4.36Å; P151-Y220 HydrophobicContact CG-CG 4.12Å; T155-Y220 HydrophobicContact CG2-CG 4.13Å; T155-Y220 WeakPolarHBondContact O-CB 3.41Å; T155-Y220 PolarHBondContact O-N 3.37Å; V157-Y220 HydrophobicContact CG2-CD2 4.09Å; Y220-P222 HydrophobicContact CE1-CG 4.18Å; Y220-L257 HydrophobicContact CD2-CD1 3.94Å; Y220-L257 HydrophobicContact CG-CD1 4.34Å
221	E	96.4	Very high	96.7	Very high	73 Å²	73	51.4 Å²	51.4	34%	0.341	30%	0.303	S	S	.	.			trans	-111.9	126.7	175.7	-67	175.9	-141	0	0	107.9	N200 R202 P219 T230	N200-E221 PolarHBondContact ND2-OE1 3.31Å; R202-E221 IonicContact CZ-OE1 3.4Å; R202-E221 IonicContact NE-OE1 3.89Å; R202-E221 IonicContact NH2-OE1 3.56Å; R202-E221 PolarHBondContact NH2-OE1 3.37Å; R202-E221 IonicContact NH2-OE2 3.09Å; R202-E221 PolarHBondContact NH2-OE2 2.91Å; P219-E221 PolarHBondContact O-N 3Å; E221-T230 HydrophobicContact CB-CG2 4.38Å; E221-T230 WeakPolarHBondContact O-CB 3.1Å; E221-T230 WeakPolarHBondContact O-CG2 3.34Å; E221-T230 PolarHBondContact O-OG1 3.48Å
222	P	95.6	Very high	96.8	Very high	77 Å²	77	51 Å²	51	50%	0.5	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-57.2	153.1	172.2	-23.9	34.1	0	0	0	111.3	T150 Y220 E224	T150-P222 HydrophobicContact CG2-CG 4.35Å; Y220-P222 HydrophobicContact CE1-CG 4.18Å; P222-E224 PolarHBondContact O-N 2.89Å
223	P	96	Very high	96.9	Very high	41 Å²	41	50.5 Å²	50.5	27%	0.266	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-53.1	141.5	176.9	-27	35.1	0	0	0	112.3	S227	P223-S227 VanDerWaalsContact CB-O 3.23Å; P223-S227 WeakPolarHBondContact CB-O 3.46Å
224	E	95.1	Very high	96.9	Very high	167 Å²	167	50.3 Å²	50.3	78%	0.78	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-59.7	154.9	172.7	-64.8	-178.7	-175	0	0	110.8	P222 G226 S227	P222-E224 PolarHBondContact O-N 2.89Å; E224-G226 PolarHBondContact O-N 2.87Å; E224-S227 PolarHBondContact O-N 3.2Å
225	V	95.4	Very high	96.9	Very high	161 Å²	161	50.4 Å²	50.4	98%	0.976	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	117.1	179.6	-178.4	0	0	0	0	109.8
226	G	94.9	Very high	96.9	Very high	84 Å²	84	50.2 Å²	50.2	87%	0.866	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	-3.5	-177.2	0	0	0	0	0	115.1	E224	E224-G226 PolarHBondContact O-N 2.87Å
227	S	95	Very high	96.9	Very high	51 Å²	51	50.8 Å²	50.8	36%	0.357	30%	0.301	S	S	.	.			trans	-103.8	145.1	169.2	-175.1	0	0	0	0	110.9	P223 E224 C229	P223-S227 VanDerWaalsContact CB-O 3.23Å; P223-S227 WeakPolarHBondContact CB-O 3.46Å; E224-S227 PolarHBondContact O-N 3.2Å; S227-C229 PolarHBondContact OG-N 2.8Å; S227-C229 PolarHBondContact OG-O 2.83Å
228	D	95.1	Very high	96.9	Very high	128 Å²	128	50.6 Å²	50.6	68%	0.684	30%	0.3	S	S	*	.	S	Bend	trans	-91.1	-7.1	174.7	-58.3	-43.4	0	0	0	112.8	W146	W146-D228 HydrophobicContact CE3-CB 4.41Å; W146-D228 HydrophobicContact CH2-CB 3.88Å; W146-D228 HydrophobicContact CZ3-CB 3.52Å
229	C	96.3	Very high	96.9	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-146.2	160.1	-174.4	70.8	0	0	0	0	112.9	Q144 L145 W146 S227	Q144-C229 HydrophobicContact CB-CB 4.47Å; L145-C229 WeakPolarHBondContact O-CB 3.48Å; W146-C229 HydrophobicContact CD2-CB 3.68Å; W146-C229 HydrophobicContact CE3-CB 4.11Å; W146-C229 HydrophobicContact CG-CB 4.08Å; W146-C229 HydrophobicContact CH2-CB 4.27Å; W146-C229 HydrophobicContact CZ2-CB 3.85Å; W146-C229 HydrophobicContact CZ3-CB 4.39Å; S227-C229 PolarHBondContact OG-N 2.8Å; S227-C229 PolarHBondContact OG-O 2.83Å
230	T	97	Very high	96.9	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.123	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135	174.7	-55.6	0	0	0	0	109.3	Q144 L145 E221	Q144-T230 CarbonylContact C-O 3.49Å; Q144-T230 WeakPolarHBondContact CA-O 3.41Å; L145-T230 PolarHBondContact N-O 2.94Å; L145-T230 PolarHBondContact O-N 3.31Å; L145-T230 VanDerWaalsContact O-N 3.13Å; E221-T230 HydrophobicContact CB-CG2 4.38Å; E221-T230 WeakPolarHBondContact O-CB 3.1Å; E221-T230 WeakPolarHBondContact O-CG2 3.34Å; E221-T230 PolarHBondContact O-OG1 3.48Å
231	T	97.6	Very high	96.8	Very high	56 Å²	56	53 Å²	53	34%	0.344	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.7	179.9	-58.6	0	0	0	0	111	P142 V143	P142-T231 HydrophobicContact CB-CG2 3.77Å; V143-T231 WeakPolarHBondContact O-CA 3.3Å
232	I	98.1	Very high	96.9	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.5	168.3	-59.8	175.5	0	0	0	109	V143 L145 V157 V197 V218 Y234	V143-I232 PolarHBondContact N-O 2.85Å; V143-I232 PolarHBondContact O-N 2.82Å; L145-I232 HydrophobicContact CD1-CD1 3.67Å; L145-I232 HydrophobicContact CD1-CG1 4.13Å; L145-I232 HydrophobicContact CG-CD1 4.38Å; V157-I232 HydrophobicContact CB-CD1 3.86Å; V157-I232 HydrophobicContact CG1-CD1 3.67Å; V157-I232 HydrophobicContact CG2-CD1 4.27Å; V197-I232 HydrophobicContact CG1-CG2 3.92Å; V197-I232 HydrophobicContact CG2-CG2 4.18Å; V218-I232 HydrophobicContact CG2-CD1 3.52Å; V218-I232 HydrophobicContact CG2-CG1 4.29Å; I232-Y234 HydrophobicContact CB-CE2 3.89Å; I232-Y234 HydrophobicContact CG2-CD1 4.23Å; I232-Y234 HydrophobicContact CG2-CD2 4.1Å; I232-Y234 HydrophobicContact CG2-CE1 3.78Å; I232-Y234 HydrophobicContact CG2-CE2 3.64Å; I232-Y234 HydrophobicContact CG2-CG 4.38Å; I232-Y234 VanDerWaalsContact CG2-CZ 3.46Å
233	H	98	Very high	96.9	Very high	79 Å²	79	54.3 Å²	54.3	37%	0.366	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.4	176.3	-64.7	117.3	0	0	0	110.1	T140 V197 E198	T140-H233 HydrophobicContact CG2-CB 3.79Å; V197-H233 WeakPolarHBondContact CA-O 3.49Å; E198-H233 HydrophobicContact CB-CB 4Å; E198-H233 PolarHBondContact N-O 3.5Å
234	Y	98.5	Very high	96.7	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	153.5	175.7	-65.7	-73.2	0	0	0	111.9	C141 V143 A159 I195 R196 V197 V216 I232 I255	C141-Y234 WeakPolarHBondContact CA-O 3.35Å; C141-Y234 VanDerWaalsContact CB-O 3.27Å; C141-Y234 WeakPolarHBondContact CB-O 3.42Å; C141-Y234 PolarHBondContact N-O 3.3Å; C141-Y234 PolarHBondContact O-N 3.44Å; V143-Y234 HydrophobicContact CB-CD2 4.03Å; V143-Y234 HydrophobicContact CB-CE2 3.94Å; V143-Y234 HydrophobicContact CG2-CD2 3.68Å; V143-Y234 HydrophobicContact CG2-CE2 4.01Å; A159-Y234 HydrophobicContact CB-CD1 4.32Å; A159-Y234 HydrophobicContact CB-CE1 3.51Å; I195-Y234 HydrophobicContact CG2-CD1 3.6Å; I195-Y234 HydrophobicContact CG2-CE1 4.27Å; I195-Y234 HydrophobicContact CG2-CG 4.27Å; R196-Y234 CarbonylContact O-C 3.51Å; R196-Y234 VanDerWaalsContact O-CA 3.24Å; R196-Y234 WeakPolarHBondContact O-CA 3.47Å; V197-Y234 HydrophobicContact CG2-CD1 3.65Å; V197-Y234 HydrophobicContact CG2-CE1 3.49Å; V197-Y234 VanDerWaalsContact CG2-CE1 3.49Å; V216-Y234 HydrophobicContact CG1-CE1 4.2Å; I232-Y234 HydrophobicContact CB-CE2 3.89Å; I232-Y234 HydrophobicContact CG2-CD1 4.23Å; I232-Y234 HydrophobicContact CG2-CD2 4.1Å; I232-Y234 HydrophobicContact CG2-CE1 3.78Å; I232-Y234 HydrophobicContact CG2-CE2 3.64Å; I232-Y234 HydrophobicContact CG2-CG 4.38Å; I232-Y234 VanDerWaalsContact CG2-CZ 3.46Å; Y234-I255 HydrophobicContact CE2-CD1 4.13Å
235	N	98	Very high	96.7	Very high	17 Å²	17	46.5 Å²	46.5	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.5	165.1	-46.8	119.2	0	0	0	110.1	K139 I195 R196 E198 M237	K139-N235 PolarHBondContact O-ND2 3.37Å; I195-N235 WeakPolarHBondContact CA-O 3.33Å; R196-N235 HydrophobicContact CB-CB 4.4Å; R196-N235 PolarHBondContact N-O 3.45Å; R196-N235 PolarHBondContact O-N 3.27Å; E198-N235 PolarHBondContact OE2-ND2 2.89Å; N235-M237 HydrophobicContact CB-SD 3.65Å
236	Y	98.4	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.8	174.2	-67.8	-95.8	0	0	0	109.9	M133 A138 C141 L194 I195 C238 T253 V272 V274	M133-Y236 HydrophobicContact SD-CE2 4.25Å; A138-Y236 PolarHBondContact N-O 3.4Å; C141-Y236 HydrophobicContact CB-CE2 4.3Å; L194-Y236 HydrophobicContact CD2-CD1 4.46Å; L194-Y236 HydrophobicContact CG-CD1 4.31Å; L194-Y236 WeakPolarHBondContact O-CA 3.5Å; I195-Y236 HydrophobicContact CD1-CE1 4.07Å; I195-Y236 HydrophobicContact CG1-CD1 4.14Å; I195-Y236 HydrophobicContact CG1-CE1 3.78Å; Y236-C238 PolarHBondContact O-N 3.43Å; Y236-T253 WeakPolarHBondContact CE1-OG1 3.43Å; Y236-T253 PolarHBondContact OH-OG1 3.3Å; Y236-V272 HydrophobicContact CD1-CG1 4.01Å; Y236-V272 HydrophobicContact CD2-CG1 4.29Å; Y236-V272 HydrophobicContact CE1-CB 4.23Å; Y236-V272 HydrophobicContact CE1-CG1 3.8Å; Y236-V272 HydrophobicContact CE1-CG2 4.04Å; Y236-V272 HydrophobicContact CE2-CG1 4.11Å; Y236-V272 HydrophobicContact CG-CG1 4.26Å; Y236-V274 HydrophobicContact CD1-CG2 4.32Å; Y236-V274 HydrophobicContact CG-CG2 4.02Å
237	M	97.5	Very high	96.9	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.069	23%	0.227	C	C	.	.			trans	-100.4	21.1	-163.7	-51.1	-49.4	-68	0	0	113.6	A138 R175 L194 R196 N235	A138-M237 HydrophobicContact CB-CE 3.74Å; A138-M237 HydrophobicContact CB-SD 4.01Å; R175-M237 HydrophobicContact CG-CB 4.33Å; R175-M237 PolarHBondContact NE-O 3.06Å; L194-M237 PolarHBondContact O-N 2.86Å; R196-M237 HydrophobicContact CB-CG 4.42Å; R196-M237 HydrophobicContact CG-CG 3.68Å; R196-M237 HydrophobicContact CG-SD 4.26Å; N235-M237 HydrophobicContact CB-SD 3.65Å
238	C	97.5	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-154.3	140.4	173.6	-154.8	0	0	0	0	109.9	L137 R175 H179 L194 Y236 C242 M246 V274	L137-C238 VanDerWaalsContact CD1-CA 3.46Å; R175-C238 HydrophobicContact CG-CB 4.28Å; H179-C238 PolarHBondContact ND1-SG 2.71Å; L194-C238 HydrophobicContact CD1-CB 3.45Å; L194-C238 VanDerWaalsContact CD1-CB 3.45Å; Y236-C238 PolarHBondContact O-N 3.43Å; C238-C242 WeakPolarHBondContact SG-CB 3.34Å; C238-M246 HydrophobicContact CB-CE 4.09Å; C238-M246 WeakPolarHBondContact O-CE 3.49Å; C238-V274 WeakPolarHBondContact O-CB 3.39Å; C238-V274 WeakPolarHBondContact O-CG1 3.34Å; C238-V274 WeakPolarHBondContact O-CG2 3.43Å
239	N	98	Very high	97.1	Very high	39 Å²	39	41.9 Å²	41.9	21%	0.209	22%	0.221	C	C	.	.			trans	-72.8	148.1	173.2	-72.2	-49.1	0	0	0	110.3	S241 C242 M246	N239-S241 PolarHBondContact O-N 2.89Å; N239-C242 PolarHBondContact N-SG 3.03Å; N239-C242 WeakPolarHBondContact O-CB 3.45Å; N239-C242 PolarHBondContact O-N 3.49Å; N239-M246 VanDerWaalsContact C-CE 3.46Å; N239-M246 WeakPolarHBondContact O-CE 3.39Å
240	S	97.9	Very high	97.2	Very high	10 Å²	10	43 Å²	43	7%	0.07	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.1	175.1	-63.8	0	0	0	0	112.1	R248 V274	S240-R248 WeakPolarHBondContact O-CA 3.26Å; S240-R248 PolarHBondContact O-N 3.05Å; S240-V274 WeakPolarHBondContact CB-O 3.24Å; S240-V274 PolarHBondContact N-O 3.18Å; S240-V274 PolarHBondContact OG-N 3.46Å; S240-V274 PolarHBondContact OG-O 2.96Å
241	S	97.5	Very high	97.3	Very high	71 Å²	71	42 Å²	42	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.5	178.1	56.9	0	0	0	0	115.5	N239 M243	N239-S241 PolarHBondContact O-N 2.89Å; S241-M243 PolarHBondContact O-N 3.49Å
242	C	97	Very high	97.3	Very high	19 Å²	19	40.1 Å²	40.1	13%	0.128	21%	0.21	C	C	.	.			trans	-63.2	123.2	-175.1	-75.8	0	0	0	0	112	C176 H179 C238 N239 G245 N247	C176-C242 HydrophobicContact CB-CB 3.97Å; H179-C242 PolarHBondContact CE1-SG 2.87Å; C238-C242 WeakPolarHBondContact SG-CB 3.34Å; N239-C242 PolarHBondContact N-SG 3.03Å; N239-C242 WeakPolarHBondContact O-CB 3.45Å; N239-C242 PolarHBondContact O-N 3.49Å; C242-G245 PolarHBondContact O-N 2.93Å; C242-N247 WeakPolarHBondContact O-CA 3.35Å; C242-N247 PolarHBondContact O-N 2.83Å
243	M	95.9	Very high	97.3	Very high	158 Å²	158	39.5 Å²	39.5	78%	0.778	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	139.3	175.2	-69.1	176.3	60.2	0	0	110.8	C176 S241 G245	C176-M243 WeakPolarHBondContact CB-O 3.47Å; S241-M243 PolarHBondContact O-N 3.49Å; M243-G245 PolarHBondContact O-N 3.42Å
244	G	92.8	Very high	97.4	Very high	40 Å²	40	36.1 Å²	36.1	41%	0.412	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-2.9	-177.1	0	0	0	0	0	115.4	P177	P177-G244 WeakPolarHBondContact CD-O 3.42Å
245	G	94.7	Very high	97.4	Very high	4 Å²	4	36 Å²	36	4%	0.041	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-119	169.9	0	0	0	0	0	110.4	Y163 C242 M243 N247 R249	Y163-G245 PolarHBondContact OH-O 2.84Å; C242-G245 PolarHBondContact O-N 2.93Å; M243-G245 PolarHBondContact O-N 3.42Å; G245-N247 VanDerWaalsContact C-N 3.27Å; G245-N247 PolarHBondContact O-N 3.31Å; G245-R249 PolarHBondContact O-NH2 2.95Å
246	M	97.1	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.6	177.2	-74.2	-172.9	-82.9	0	0	113.6	Y163 L194 C238 N239 R248 R249 I251 V274	Y163-M246 HydrophobicContact CE1-CB 4.44Å; Y163-M246 HydrophobicContact CE1-CG 4.3Å; L194-M246 HydrophobicContact CD1-CE 4.03Å; L194-M246 HydrophobicContact CD2-CE 4.25Å; L194-M246 HydrophobicContact CD2-SD 4.12Å; C238-M246 HydrophobicContact CB-CE 4.09Å; C238-M246 WeakPolarHBondContact O-CE 3.49Å; N239-M246 VanDerWaalsContact C-CE 3.46Å; N239-M246 WeakPolarHBondContact O-CE 3.39Å; M246-R248 PolarHBondContact O-N 2.98Å; M246-R249 WeakPolarHBondContact O-CB 3.33Å; M246-R249 WeakPolarHBondContact O-CG 3.35Å; M246-R249 PolarHBondContact O-N 3.35Å; M246-R249 PolarHBondContact O-NE 3.16Å; M246-I251 HydrophobicContact CG-CG2 4.11Å; M246-I251 HydrophobicContact SD-CD1 3.74Å; M246-I251 HydrophobicContact SD-CG1 4.06Å; M246-I251 HydrophobicContact SD-CG2 3.8Å; M246-V274 HydrophobicContact CE-CG2 4.32Å
247	N	97	Very high	97.4	Very high	85 Å²	85	36 Å²	36	46%	0.455	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	52	174.2	-164.4	33.8	0	0	0	114.4	C242 G245 R249	C242-N247 WeakPolarHBondContact O-CA 3.35Å; C242-N247 PolarHBondContact O-N 2.83Å; G245-N247 VanDerWaalsContact C-N 3.27Å; G245-N247 PolarHBondContact O-N 3.31Å; N247-R249 PolarHBondContact O-N 2.8Å; N247-R249 VanDerWaalsContact O-N 3.16Å
248	R	96.7	Very high	97.5	Very high	207 Å²	207	36.1 Å²	36.1	78%	0.781	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	9.4	-179	-52.4	-179.8	-179.9	-151.8	0.4	115.4	S240 M246	S240-R248 WeakPolarHBondContact O-CA 3.26Å; S240-R248 PolarHBondContact O-N 3.05Å; M246-R248 PolarHBondContact O-N 2.98Å
249	R	97.8	Very high	97.5	Very high	35 Å²	35	37.7 Å²	37.7	13%	0.132	20%	0.2	C	C	.	.			trans	-83.2	130	175.4	-59.7	171.4	-71.9	175.7	-0.4	110	Y163 H168 E171 G245 M246 N247	Y163-R249 HydrophobicContact CD1-CB 3.74Å; Y163-R249 HydrophobicContact CE1-CB 3.82Å; Y163-R249 PolarHBondContact OH-NH2 3.12Å; H168-R249 VanDerWaalsContact CD2-CD 3.45Å; H168-R249 WeakPolarHBondContact CD2-CD 3.39Å; H168-R249 PolarHBondContact ND1-NH1 3.15Å; E171-R249 IonicContact OE1-CZ 3.28Å; E171-R249 VanDerWaalsContact OE1-CZ 3.27Å; E171-R249 IonicContact OE1-NH1 3.84Å; E171-R249 PolarHBondContact OE1-NH1 2.96Å; E171-R249 IonicContact OE1-NH2 3.81Å; E171-R249 PolarHBondContact OE1-NH2 3.36Å; E171-R249 IonicContact OE2-CZ 3.58Å; E171-R249 IonicContact OE2-NH1 3Å; E171-R249 PolarHBondContact OE2-NH1 3.29Å; E171-R249 IonicContact OE2-NH2 3.92Å; G245-R249 PolarHBondContact O-NH2 2.95Å; M246-R249 WeakPolarHBondContact O-CB 3.33Å; M246-R249 WeakPolarHBondContact O-CG 3.35Å; M246-R249 PolarHBondContact O-N 3.35Å; M246-R249 PolarHBondContact O-NE 3.16Å; N247-R249 PolarHBondContact O-N 2.8Å; N247-R249 VanDerWaalsContact O-N 3.16Å
250	P	98.1	Very high	97.4	Very high	34 Å²	34	39.7 Å²	39.7	22%	0.221	22%	0.217	C	C	.	.			trans	-69.4	146	178.6	27	-32.4	0	0	0	111.3	K164 Q165	K164-P250 HydrophobicContact CB-CB 4.19Å; K164-P250 HydrophobicContact CB-CG 4.14Å; K164-P250 WeakPolarHBondContact CB-O 3.21Å; K164-P250 HydrophobicContact CD-CB 4.38Å; K164-P250 PolarHBondContact N-O 3.16Å; Q165-P250 HydrophobicContact CG-CG 4.11Å
251	I	98.7	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154	179	61.3	164.2	0	0	0	111.1	A161 I162 Y163 V173 L194 M246 E271 V272	A161-I251 HydrophobicContact CB-CD1 4.45Å; I162-I251 CarbonylContact O-C 3.48Å; I162-I251 VanDerWaalsContact O-CA 3.22Å; I162-I251 WeakPolarHBondContact O-CA 3.36Å; I162-I251 WeakPolarHBondContact O-CB 3.48Å; Y163-I251 HydrophobicContact CD1-CG2 3.71Å; Y163-I251 HydrophobicContact CE1-CG2 3.91Å; V173-I251 HydrophobicContact CG1-CG2 4.22Å; V173-I251 HydrophobicContact CG2-CG2 4.13Å; L194-I251 HydrophobicContact CD2-CD1 3.6Å; M246-I251 HydrophobicContact CG-CG2 4.11Å; M246-I251 HydrophobicContact SD-CD1 3.74Å; M246-I251 HydrophobicContact SD-CG1 4.06Å; M246-I251 HydrophobicContact SD-CG2 3.8Å; I251-E271 WeakPolarHBondContact O-CA 3.45Å; I251-E271 WeakPolarHBondContact O-CG 3.19Å; I251-V272 HydrophobicContact CD1-CB 4.15Å; I251-V272 HydrophobicContact CG1-CB 4.08Å; I251-V272 PolarHBondContact O-N 3.15Å
252	L	98.5	Very high	97.1	Very high	17 Å²	17	42 Å²	42	9%	0.089	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.2	165.8	-63.4	175	0	0	0	108.5	A161 I162 K164 F270 E271	A161-L252 WeakPolarHBondContact CA-O 3.28Å; I162-L252 HydrophobicContact CG1-CB 4.01Å; I162-L252 PolarHBondContact N-O 3.21Å; I162-L252 PolarHBondContact O-N 3.29Å; K164-L252 HydrophobicContact CB-CD1 4.49Å; K164-L252 HydrophobicContact CB-CD2 4.48Å; K164-L252 HydrophobicContact CB-CG 4Å; K164-L252 HydrophobicContact CD-CD2 4.24Å; K164-L252 HydrophobicContact CG-CD1 4.3Å; K164-L252 HydrophobicContact CG-CD2 4.22Å; K164-L252 HydrophobicContact CG-CG 4.09Å; L252-F270 WeakPolarHBondContact CA-O 3.25Å; L252-E271 HydrophobicContact CD2-CB 3.98Å
253	T	98.7	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122	163.5	-65.1	0	0	0	0	108.2	A159 M160 I195 Y236 I255 S269 F270 V272	A159-T253 HydrophobicContact CB-CG2 4.5Å; M160-T253 WeakPolarHBondContact O-CA 3.46Å; I195-T253 HydrophobicContact CD1-CG2 3.96Å; Y236-T253 WeakPolarHBondContact CE1-OG1 3.43Å; Y236-T253 PolarHBondContact OH-OG1 3.3Å; T253-I255 HydrophobicContact CG2-CD1 3.68Å; T253-I255 HydrophobicContact CG2-CG1 4.41Å; T253-S269 WeakPolarHBondContact O-CA 3.46Å; T253-S269 VanDerWaalsContact O-CB 3.31Å; T253-S269 WeakPolarHBondContact O-CB 3.38Å; T253-F270 HydrophobicContact CG2-CE1 4.02Å; T253-F270 HydrophobicContact CG2-CE2 4.44Å; T253-F270 HydrophobicContact CG2-CZ 3.79Å; T253-F270 PolarHBondContact N-O 3.33Å; T253-F270 PolarHBondContact O-N 3.41Å; T253-F270 VanDerWaalsContact O-N 3.08Å; T253-V272 WeakPolarHBondContact OG1-CG2 3.38Å
254	I	98.7	Very high	97.2	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.8	174.7	-58.4	174.2	0	0	0	107.5	P98 Q100 A159 M160 I162 T256 R267	P98-I254 HydrophobicContact CB-CD1 4.48Å; P98-I254 HydrophobicContact CG-CD1 4.14Å; Q100-I254 HydrophobicContact CB-CD1 4.26Å; A159-I254 WeakPolarHBondContact CA-O 3.45Å; M160-I254 PolarHBondContact N-O 3.16Å; M160-I254 PolarHBondContact O-N 3.48Å; I162-I254 HydrophobicContact CD1-CD1 3.69Å; I162-I254 HydrophobicContact CG1-CD1 3.99Å; I162-I254 HydrophobicContact CG2-CD1 4.39Å; I254-T256 HydrophobicContact CG2-CG2 4.13Å; I254-R267 HydrophobicContact CG2-CG 3.81Å
255	I	98.7	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.4	172	-49.7	-61	0	0	0	108.5	F109 L111 L145 V157 R158 A159 Y234 T253 R267 N268 F270	F109-I255 HydrophobicContact CZ-CG2 3.9Å; L111-I255 HydrophobicContact CD1-CB 4.07Å; L111-I255 HydrophobicContact CD1-CG1 3.76Å; L111-I255 HydrophobicContact CD2-CB 4.11Å; L111-I255 HydrophobicContact CD2-CG1 4.23Å; L111-I255 HydrophobicContact CD2-CG2 4.12Å; L145-I255 HydrophobicContact CD2-CG2 4.38Å; V157-I255 HydrophobicContact CG1-CG2 3.61Å; R158-I255 CarbonylContact O-C 3.56Å; R158-I255 VanDerWaalsContact O-CA 3.28Å; R158-I255 WeakPolarHBondContact O-CA 3.34Å; A159-I255 HydrophobicContact CB-CD1 3.5Å; Y234-I255 HydrophobicContact CE2-CD1 4.13Å; T253-I255 HydrophobicContact CG2-CD1 3.68Å; T253-I255 HydrophobicContact CG2-CG1 4.41Å; I255-R267 WeakPolarHBondContact O-CA 3.31Å; I255-N268 PolarHBondContact N-O 3.46Å; I255-N268 PolarHBondContact O-N 3.1Å; I255-F270 HydrophobicContact CD1-CE1 4.32Å; I255-F270 HydrophobicContact CG1-CE1 3.9Å
256	T	98.7	Very high	97.6	Very high	16 Å²	16	40.3 Å²	40.3	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.1	175.6	46	0	0	0	0	110.8	V157 R158 I254 E258 L264 G266 R267	V157-T256 WeakPolarHBondContact CA-O 3.46Å; R158-T256 WeakPolarHBondContact CB-OG1 3.21Å; R158-T256 PolarHBondContact N-O 3Å; R158-T256 PolarHBondContact O-N 2.87Å; I254-T256 HydrophobicContact CG2-CG2 4.13Å; T256-E258 PolarHBondContact OG1-OE1 3.29Å; T256-L264 HydrophobicContact CG2-CD1 3.59Å; T256-G266 CarbonylContact C-O 3.59Å; T256-G266 WeakPolarHBondContact CA-O 3.4Å; T256-R267 HydrophobicContact CG2-CB 4.13Å; T256-R267 HydrophobicContact CG2-CG 3.83Å
257	L	98.6	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.5	165.8	-169.4	71.7	0	0	0	107.1	F109 V147 P151 T155 V157 Y220 L265 G266	F109-L257 HydrophobicContact CB-CD2 4.22Å; F109-L257 HydrophobicContact CD1-CB 4.22Å; F109-L257 HydrophobicContact CD2-CB 4.04Å; F109-L257 HydrophobicContact CD2-CD2 4Å; F109-L257 HydrophobicContact CD2-CG 4.43Å; F109-L257 HydrophobicContact CE1-CB 4.35Å; F109-L257 HydrophobicContact CE2-CB 4.19Å; F109-L257 HydrophobicContact CG-CB 4.04Å; F109-L257 HydrophobicContact CG-CD2 4.21Å; F109-L257 HydrophobicContact CZ-CB 4.34Å; V147-L257 HydrophobicContact CG1-CD2 4.42Å; P151-L257 HydrophobicContact CB-CD2 4.42Å; P151-L257 HydrophobicContact CG-CD2 4.47Å; T155-L257 HydrophobicContact CG2-CD1 3.42Å; T155-L257 VanDerWaalsContact CG2-CD1 3.42Å; T155-L257 HydrophobicContact CG2-CD2 4.37Å; T155-L257 HydrophobicContact CG2-CG 3.71Å; V157-L257 HydrophobicContact CG2-CD1 3.89Å; Y220-L257 HydrophobicContact CD2-CD1 3.94Å; Y220-L257 HydrophobicContact CG-CD1 4.34Å; L257-L265 HydrophobicContact CB-CB 4.39Å; L257-L265 HydrophobicContact CD2-CB 4.21Å; L257-L265 HydrophobicContact CG-CB 4.23Å; L257-L265 WeakPolarHBondContact O-CA 3.41Å; L257-L265 WeakPolarHBondContact O-CB 3.08Å; L257-L265 PolarHBondContact O-N 2.98Å; L257-G266 PolarHBondContact N-O 3.07Å; L257-G266 PolarHBondContact O-N 3.14Å; L257-G266 VanDerWaalsContact O-N 3.14Å
258	E	98.5	Very high	97.8	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146	-170.3	-64.8	171.8	-164.6	0	0	110.5	T155 R156 R158 T256 N263	T155-E258 CarbonylContact C-O 3.54Å; T155-E258 VanDerWaalsContact CA-O 3.27Å; T155-E258 WeakPolarHBondContact CA-O 3.44Å; T155-E258 WeakPolarHBondContact CG2-O 3.3Å; R156-E258 PolarHBondContact N-O 2.98Å; R156-E258 PolarHBondContact O-N 2.77Å; R158-E258 WeakPolarHBondContact CB-OE1 3.47Å; R158-E258 WeakPolarHBondContact CD-OE1 3.36Å; R158-E258 IonicContact CZ-OE1 3.73Å; R158-E258 IonicContact CZ-OE2 2.9Å; R158-E258 VanDerWaalsContact NE-CD 3.35Å; R158-E258 IonicContact NE-OE1 3.96Å; R158-E258 PolarHBondContact NE-OE1 2.76Å; R158-E258 IonicContact NE-OE2 3.95Å; R158-E258 PolarHBondContact NE-OE2 3.32Å; R158-E258 VanDerWaalsContact NE-OE2 3.09Å; R158-E258 IonicContact NH2-OE1 3.78Å; R158-E258 IonicContact NH2-OE2 3.3Å; R158-E258 PolarHBondContact NH2-OE2 3.11Å; T256-E258 PolarHBondContact OG1-OE1 3.29Å; E258-N263 CarbonylContact C-O 3.6Å; E258-N263 VanDerWaalsContact CA-O 3.24Å; E258-N263 WeakPolarHBondContact CA-O 3.5Å
259	D	97.4	Very high	97.9	Very high	34 Å²	34	30.1 Å²	30.1	18%	0.182	18%	0.18	C	C	.	.			trans	-74.7	-179.3	169.1	72.3	13	0	0	0	111.9	S261 G262 N263 L265	D259-S261 PolarHBondContact O-N 3.25Å; D259-S261 VanDerWaalsContact OD1-C 3.29Å; D259-S261 VanDerWaalsContact OD1-CA 3.28Å; D259-S261 WeakPolarHBondContact OD1-CA 3.38Å; D259-S261 WeakPolarHBondContact OD1-CB 3.22Å; D259-S261 PolarHBondContact OD1-N 3.3Å; D259-G262 PolarHBondContact O-N 3Å; D259-G262 PolarHBondContact OD1-N 3.29Å; D259-N263 PolarHBondContact N-O 3.34Å; D259-N263 PolarHBondContact OD1-N 3.39Å; D259-N263 PolarHBondContact OD1-ND2 3.13Å; D259-N263 WeakPolarHBondContact OD2-CB 3.42Å; D259-N263 PolarHBondContact OD2-ND2 3.41Å; D259-L265 HydrophobicContact CB-CD1 4.11Å; D259-L265 HydrophobicContact CB-CD2 4.33Å; D259-L265 HydrophobicContact CB-CG 4.32Å
260	S	96.1	Very high	97.9	Very high	81 Å²	81	28.4 Å²	28.4	57%	0.566	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.7	178.2	56.4	0	0	0	0	113.5	G154	G154-S260 WeakPolarHBondContact O-CA 3.48Å; G154-S260 PolarHBondContact O-N 3.28Å
261	S	95.8	Very high	97.9	Very high	97 Å²	97	27.7 Å²	27.7	68%	0.678	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.7	176.6	-61	0	0	0	0	112.8	D259	D259-S261 PolarHBondContact O-N 3.25Å; D259-S261 VanDerWaalsContact OD1-C 3.29Å; D259-S261 VanDerWaalsContact OD1-CA 3.28Å; D259-S261 WeakPolarHBondContact OD1-CA 3.38Å; D259-S261 WeakPolarHBondContact OD1-CB 3.22Å; D259-S261 PolarHBondContact OD1-N 3.3Å
262	G	94.1	Very high	97.9	Very high	33 Å²	33	27.7 Å²	27.7	34%	0.34	17%	0.167	S	C	.	.			trans	84.2	12.2	-177.3	0	0	0	0	0	114.3	D259	D259-G262 PolarHBondContact O-N 3Å; D259-G262 PolarHBondContact OD1-N 3.29Å
263	N	96.9	Very high	97.9	Very high	94 Å²	94	31.3 Å²	31.3	50%	0.503	18%	0.179	S	C	.	.			trans	-74.1	142.8	174.5	-54.9	-59.5	0	0	0	110.5	E258 D259 L265	E258-N263 CarbonylContact C-O 3.6Å; E258-N263 VanDerWaalsContact CA-O 3.24Å; E258-N263 WeakPolarHBondContact CA-O 3.5Å; D259-N263 PolarHBondContact N-O 3.34Å; D259-N263 PolarHBondContact OD1-N 3.39Å; D259-N263 PolarHBondContact OD1-ND2 3.13Å; D259-N263 WeakPolarHBondContact OD2-CB 3.42Å; D259-N263 PolarHBondContact OD2-ND2 3.41Å; N263-L265 PolarHBondContact O-N 3.46Å
264	L	97.9	Very high	97.9	Very high	64 Å²	64	31.4 Å²	31.4	34%	0.335	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.5	-176.6	-172.8	73.1	0	0	0	112	Y103 T256 G266 R267	Y103-L264 HydrophobicContact CD1-CD2 3.94Å; Y103-L264 HydrophobicContact CD1-CG 4.26Å; Y103-L264 HydrophobicContact CE1-CD2 4.45Å; T256-L264 HydrophobicContact CG2-CD1 3.59Å; L264-G266 VanDerWaalsContact CD1-O 3.23Å; L264-G266 WeakPolarHBondContact CD1-O 3.4Å; L264-R267 HydrophobicContact CD1-CB 4.24Å; L264-R267 VanDerWaalsContact CD2-NH1 3.28Å
265	L	98.3	Very high	97.9	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.136	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-27.9	172.2	-55.3	-176.1	0	0	0	112.4	G105 Y107 T155 L257 D259 N263	G105-L265 WeakPolarHBondContact CA-O 3.3Å; Y107-L265 HydrophobicContact CD2-CB 4.16Å; Y107-L265 HydrophobicContact CD2-CD1 4.48Å; Y107-L265 HydrophobicContact CE2-CB 4.2Å; Y107-L265 HydrophobicContact CE2-CD1 4Å; Y107-L265 HydrophobicContact CE2-CD2 4.16Å; Y107-L265 HydrophobicContact CE2-CG 4.35Å; T155-L265 HydrophobicContact CG2-CD1 4.14Å; L257-L265 HydrophobicContact CB-CB 4.39Å; L257-L265 HydrophobicContact CD2-CB 4.21Å; L257-L265 HydrophobicContact CG-CB 4.23Å; L257-L265 WeakPolarHBondContact O-CA 3.41Å; L257-L265 WeakPolarHBondContact O-CB 3.08Å; L257-L265 PolarHBondContact O-N 2.98Å; D259-L265 HydrophobicContact CB-CD1 4.11Å; D259-L265 HydrophobicContact CB-CD2 4.33Å; D259-L265 HydrophobicContact CB-CG 4.32Å; N263-L265 PolarHBondContact O-N 3.46Å
266	G	98.2	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	156.9	179.8	0	0	0	0	0	112.1	Y103 T256 L257 L264	Y103-G266 CarbonylContact O-C 3.5Å; Y103-G266 VanDerWaalsContact O-CA 3.3Å; Y103-G266 WeakPolarHBondContact O-CA 3.35Å; T256-G266 CarbonylContact C-O 3.59Å; T256-G266 WeakPolarHBondContact CA-O 3.4Å; L257-G266 PolarHBondContact N-O 3.07Å; L257-G266 PolarHBondContact O-N 3.14Å; L257-G266 VanDerWaalsContact O-N 3.14Å; L264-G266 VanDerWaalsContact CD1-O 3.23Å; L264-G266 WeakPolarHBondContact CD1-O 3.4Å
267	R	98.7	Very high	97.8	Very high	38 Å²	38	37 Å²	37	14%	0.143	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.8	177.7	-174.9	165	54.8	-127.6	-12.1	112	S99 K101 T102 Y103 I254 I255 T256 L264	S99-R267 WeakPolarHBondContact O-CD 3.37Å; S99-R267 PolarHBondContact O-NE 3.32Å; S99-R267 VanDerWaalsContact O-NE 3.14Å; S99-R267 PolarHBondContact OG-NH2 3.4Å; S99-R267 VanDerWaalsContact OG-NH2 3.1Å; K101-R267 PolarHBondContact O-NE 3.04Å; K101-R267 PolarHBondContact O-NH2 3.25Å; K101-R267 VanDerWaalsContact O-NH2 3.15Å; T102-R267 CarbonylContact C-O 3.48Å; T102-R267 WeakPolarHBondContact CA-O 3.38Å; Y103-R267 PolarHBondContact N-O 3.42Å; Y103-R267 PolarHBondContact O-N 3.28Å; I254-R267 HydrophobicContact CG2-CG 3.81Å; I255-R267 WeakPolarHBondContact O-CA 3.31Å; T256-R267 HydrophobicContact CG2-CB 4.13Å; T256-R267 HydrophobicContact CG2-CG 3.83Å; L264-R267 HydrophobicContact CD1-CB 4.24Å; L264-R267 VanDerWaalsContact CD2-NH1 3.28Å
268	N	98.4	Very high	97.7	Very high	27 Å²	27	37 Å²	37	14%	0.144	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168.1	165.2	-148.1	-20	0	0	0	110.4	T102 F109 L111 I255	T102-N268 PolarHBondContact OG1-OD1 3.29Å; F109-N268 HydrophobicContact CE1-CB 4.49Å; L111-N268 HydrophobicContact CD1-CB 3.78Å; L111-N268 HydrophobicContact CG-CB 3.77Å; I255-N268 PolarHBondContact N-O 3.46Å; I255-N268 PolarHBondContact O-N 3.1Å
269	S	98.3	Very high	97.7	Very high	13 Å²	13	36.3 Å²	36.3	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.9	179.2	65.7	0	0	0	0	112.7	N131 T253	N131-S269 PolarHBondContact ND2-O 2.76Å; T253-S269 WeakPolarHBondContact O-CA 3.46Å; T253-S269 VanDerWaalsContact O-CB 3.31Å; T253-S269 WeakPolarHBondContact O-CB 3.38Å
270	F	98.6	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.3	177	56.5	-84	0	0	0	110	L111 F113 Y126 N131 M133 V143 L252 T253 I255 V272	L111-F270 HydrophobicContact CD1-CD1 3.75Å; L111-F270 HydrophobicContact CD1-CE1 3.91Å; F113-F270 HydrophobicContact CE1-CD1 4.02Å; F113-F270 HydrophobicContact CE1-CD2 4.17Å; F113-F270 HydrophobicContact CE1-CE1 4.05Å; F113-F270 HydrophobicContact CE1-CE2 4.2Å; F113-F270 HydrophobicContact CE1-CG 4.07Å; F113-F270 HydrophobicContact CE1-CZ 4.14Å; F113-F270 HydrophobicContact CZ-CB 4Å; F113-F270 AromaticContact CZ-CD1 3.53Å; F113-F270 HydrophobicContact CZ-CD1 3.53Å; F113-F270 HydrophobicContact CZ-CD2 4.2Å; F113-F270 AromaticContact CZ-CE1 3.97Å; F113-F270 HydrophobicContact CZ-CE1 3.97Å; F113-F270 AromaticContact CZ-CG 3.65Å; F113-F270 HydrophobicContact CZ-CG 3.65Å; F113-F270 HydrophobicContact CZ-CZ 4.47Å; Y126-F270 HydrophobicContact CE2-CB 4.45Å; N131-F270 WeakPolarHBondContact OD1-CB 3.38Å; M133-F270 HydrophobicContact CB-CD2 3.92Å; M133-F270 HydrophobicContact CB-CE2 4.07Å; M133-F270 HydrophobicContact CE-CD2 4.39Å; M133-F270 HydrophobicContact CE-CE2 3.7Å; M133-F270 HydrophobicContact CE-CZ 4.15Å; M133-F270 HydrophobicContact SD-CE2 3.96Å; V143-F270 HydrophobicContact CG1-CE1 4.5Å; V143-F270 HydrophobicContact CG2-CE1 4.46Å; V143-F270 HydrophobicContact CG2-CZ 4.01Å; L252-F270 WeakPolarHBondContact CA-O 3.25Å; T253-F270 HydrophobicContact CG2-CE1 4.02Å; T253-F270 HydrophobicContact CG2-CE2 4.44Å; T253-F270 HydrophobicContact CG2-CZ 3.79Å; T253-F270 PolarHBondContact N-O 3.33Å; T253-F270 PolarHBondContact O-N 3.41Å; T253-F270 VanDerWaalsContact O-N 3.08Å; I255-F270 HydrophobicContact CD1-CE1 4.32Å; I255-F270 HydrophobicContact CG1-CE1 3.9Å; F270-V272 HydrophobicContact CD2-CG2 3.66Å; F270-V272 HydrophobicContact CE2-CG2 3.48Å; F270-V272 VanDerWaalsContact CE2-CG2 3.48Å
271	E	98.6	Very high	97.8	Very high	18 Å²	18	38 Å²	38	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	146.8	174.1	-176.2	175.1	157.6	0	0	110.6	N131 K132 M133 K164 I251 L252	N131-E271 PolarHBondContact O-N 3.17Å; K132-E271 CarbonylContact C-O 3.55Å; K132-E271 WeakPolarHBondContact CA-O 3.4Å; K132-E271 HydrophobicContact CB-CB 4.03Å; K132-E271 HydrophobicContact CD-CB 4.24Å; K132-E271 HydrophobicContact CD-CG 3.86Å; K132-E271 WeakPolarHBondContact CD-OE1 3.43Å; K132-E271 WeakPolarHBondContact CE-OE1 3.18Å; K132-E271 HydrophobicContact CG-CB 3.85Å; K132-E271 HydrophobicContact CG-CG 3.9Å; K132-E271 IonicContact NZ-OE1 2.98Å; K132-E271 PolarHBondContact NZ-OE1 3.05Å; M133-E271 PolarHBondContact N-O 3.47Å; K164-E271 HydrophobicContact CD-CG 4.43Å; K164-E271 WeakPolarHBondContact CD-OE2 3.4Å; K164-E271 WeakPolarHBondContact CE-OE2 3.34Å; K164-E271 IonicContact NZ-OE2 3.25Å; K164-E271 PolarHBondContact NZ-OE2 3.26Å; I251-E271 WeakPolarHBondContact O-CA 3.45Å; I251-E271 WeakPolarHBondContact O-CG 3.19Å; L252-E271 HydrophobicContact CD2-CB 3.98Å
272	V	98.7	Very high	97.9	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.2	176.9	-174.8	0	0	0	0	111.1	M133 Y236 I251 T253 F270 V274	M133-V272 HydrophobicContact CB-CG2 4.43Å; M133-V272 CarbonylContact O-C 3.48Å; M133-V272 WeakPolarHBondContact O-CA 3.49Å; Y236-V272 HydrophobicContact CD1-CG1 4.01Å; Y236-V272 HydrophobicContact CD2-CG1 4.29Å; Y236-V272 HydrophobicContact CE1-CB 4.23Å; Y236-V272 HydrophobicContact CE1-CG1 3.8Å; Y236-V272 HydrophobicContact CE1-CG2 4.04Å; Y236-V272 HydrophobicContact CE2-CG1 4.11Å; Y236-V272 HydrophobicContact CG-CG1 4.26Å; I251-V272 HydrophobicContact CD1-CB 4.15Å; I251-V272 HydrophobicContact CG1-CB 4.08Å; I251-V272 PolarHBondContact O-N 3.15Å; T253-V272 WeakPolarHBondContact OG1-CG2 3.38Å; F270-V272 HydrophobicContact CD2-CG2 3.66Å; F270-V272 HydrophobicContact CE2-CG2 3.48Å; F270-V272 VanDerWaalsContact CE2-CG2 3.48Å; V272-V274 HydrophobicContact CG1-CG2 4.11Å
273	R	98.5	Very high	98	Very high	92 Å²	92	38.4 Å²	38.4	35%	0.347	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.4	169	-178	-179.8	177.1	95.5	-1.5	110	M133 F134 C135 C275 D281 E285	M133-R273 PolarHBondContact O-N 2.75Å; F134-R273 WeakPolarHBondContact CA-O 3.5Å; F134-R273 HydrophobicContact CD1-CB 4.03Å; F134-R273 HydrophobicContact CD1-CG 4.34Å; F134-R273 HydrophobicContact CE1-CB 4.32Å; C135-R273 PolarHBondContact N-O 3.29Å; R273-C275 HydrophobicContact CG-CB 4.32Å; R273-D281 IonicContact CZ-OD2 2.69Å; R273-D281 IonicContact NE-OD2 3.45Å; R273-D281 PolarHBondContact NE-OD2 2.66Å; R273-D281 IonicContact NH2-OD2 2.73Å; R273-D281 PolarHBondContact NH2-OD2 3.3Å; R273-E285 WeakPolarHBondContact CD-OE1 3.16Å; R273-E285 IonicContact NE-OE1 3.27Å; R273-E285 IonicContact NH1-OE1 3.72Å
274	V	98.7	Very high	98	Very high	2 Å²	2	37 Å²	37	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.9	176.2	-167.3	0	0	0	0	108.5	C135 L137 Y236 C238 S240 M246 V272	C135-V274 CarbonylContact O-C 3.56Å; C135-V274 VanDerWaalsContact O-CA 3.26Å; C135-V274 WeakPolarHBondContact O-CA 3.22Å; L137-V274 HydrophobicContact CB-CG1 4.44Å; Y236-V274 HydrophobicContact CD1-CG2 4.32Å; Y236-V274 HydrophobicContact CG-CG2 4.02Å; C238-V274 WeakPolarHBondContact O-CB 3.39Å; C238-V274 WeakPolarHBondContact O-CG1 3.34Å; C238-V274 WeakPolarHBondContact O-CG2 3.43Å; S240-V274 WeakPolarHBondContact CB-O 3.24Å; S240-V274 PolarHBondContact N-O 3.18Å; S240-V274 PolarHBondContact OG-N 3.46Å; S240-V274 PolarHBondContact OG-O 2.96Å; M246-V274 HydrophobicContact CE-CG2 4.32Å; V272-V274 HydrophobicContact CG1-CG2 4.11Å
275	C	98.1	Very high	98	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.081	18%	0.179	C	C	.	.			trans	-148.1	163.5	-169.5	64	0	0	0	0	112.5	C135 Q136 R273	C135-C275 PolarHBondContact O-N 2.88Å; Q136-C275 WeakPolarHBondContact CA-O 3.4Å; Q136-C275 WeakPolarHBondContact CG-O 3.35Å; R273-C275 HydrophobicContact CG-CB 4.32Å
276	A	97.5	Very high	97.9	Very high	75 Å²	75	37.2 Å²	37.2	62%	0.62	18%	0.184	S	C	*	.	S	Bend	trans	-69.5	-33	-178.2	0	0	0	0	0	113.6	Q136	Q136-A276 PolarHBondContact NE2-O 2.9Å
277	C	97.1	Very high	97.8	Very high	54 Å²	54	41 Å²	41	37%	0.365	20%	0.202	S	C	.	.			trans	-129.9	74.4	-174.5	-59.1	0	0	0	0	112.3	G279 R280 D281	C277-G279 PolarHBondContact O-N 2.98Å; C277-R280 HydrophobicContact CB-CB 4.05Å; C277-R280 PolarHBondContact O-N 2.69Å; C277-R280 VanDerWaalsContact O-N 3.13Å; C277-D281 PolarHBondContact O-N 2.73Å
278	P	98	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-53.1	-46.3	-174.8	-30.8	38	0	0	0	114.9	T125 F134 Q136 R280 D281 R282	T125-P278 HydrophobicContact CG2-CB 4.02Å; F134-P278 HydrophobicContact CB-CB 3.76Å; F134-P278 WeakPolarHBondContact O-CB 3.29Å; Q136-P278 HydrophobicContact CG-CG 3.78Å; P278-R280 VanDerWaalsContact C-N 3.33Å; P278-R280 PolarHBondContact O-N 3.03Å; P278-D281 PolarHBondContact O-N 3.45Å; P278-R282 WeakPolarHBondContact O-CB 3.39Å; P278-R282 PolarHBondContact O-N 3.15Å
279	G	97.5	Very high	97.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-34	-179.2	0	0	0	0	0	113.8	T118 C277 R283	T118-G279 WeakPolarHBondContact CB-O 3.26Å; C277-G279 PolarHBondContact O-N 2.98Å; G279-R283 PolarHBondContact O-N 3.46Å
280	R	97.4	Very high	97.3	Very high	137 Å²	137	52.4 Å²	52.4	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-70.8	-52	174.5	-177.4	-162.1	64.3	175.8	-3.2	110.2	C277 P278 R282 R283 T284	C277-R280 HydrophobicContact CB-CB 4.05Å; C277-R280 PolarHBondContact O-N 2.69Å; C277-R280 VanDerWaalsContact O-N 3.13Å; P278-R280 VanDerWaalsContact C-N 3.33Å; P278-R280 PolarHBondContact O-N 3.03Å; R280-R282 VanDerWaalsContact C-N 3.29Å; R280-R282 PolarHBondContact O-N 2.95Å; R280-R283 PolarHBondContact O-N 2.7Å; R280-R283 VanDerWaalsContact O-N 3.15Å; R280-T284 PolarHBondContact O-N 2.96Å; R280-T284 PolarHBondContact O-OG1 3.42Å
281	D	97.6	Very high	97	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.08	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-40	-176.7	-77.7	28.4	0	0	0	111	F134 R273 C277 P278 T284 E285	F134-D281 HydrophobicContact CD1-CB 3.9Å; F134-D281 HydrophobicContact CE1-CB 4.11Å; R273-D281 IonicContact CZ-OD2 2.69Å; R273-D281 IonicContact NE-OD2 3.45Å; R273-D281 PolarHBondContact NE-OD2 2.66Å; R273-D281 IonicContact NH2-OD2 2.73Å; R273-D281 PolarHBondContact NH2-OD2 3.3Å; C277-D281 PolarHBondContact O-N 2.73Å; P278-D281 PolarHBondContact O-N 3.45Å; D281-T284 PolarHBondContact O-N 2.8Å; D281-E285 WeakPolarHBondContact O-CG 3.49Å; D281-E285 PolarHBondContact O-N 3.28Å
282	R	97.7	Very high	96.4	Very high	33 Å²	33	65.4 Å²	65.4	13%	0.125	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-51.6	172.3	175.9	173.9	159.3	-157.3	-4.9	112.3	S116 T118 T125 Y126 F134 P278 R280 T284 E285 E286	S116-R282 PolarHBondContact O-NH1 3.44Å; T118-R282 HydrophobicContact CG2-CG 4.23Å; T125-R282 HydrophobicContact CG2-CB 4.06Å; T125-R282 PolarHBondContact OG1-NH1 3.28Å; Y126-R282 PolarHBondContact O-NE 3.47Å; Y126-R282 PolarHBondContact O-NH1 3.06Å; F134-R282 HydrophobicContact CD1-CB 4.42Å; F134-R282 HydrophobicContact CD2-CB 3.69Å; F134-R282 HydrophobicContact CD2-CG 4.12Å; F134-R282 HydrophobicContact CE2-CB 3.82Å; F134-R282 HydrophobicContact CE2-CG 4.02Å; F134-R282 HydrophobicContact CG-CB 4.02Å; F134-R282 HydrophobicContact CZ-CB 4.24Å; P278-R282 WeakPolarHBondContact O-CB 3.39Å; P278-R282 PolarHBondContact O-N 3.15Å; R280-R282 VanDerWaalsContact C-N 3.29Å; R280-R282 PolarHBondContact O-N 2.95Å; R282-T284 VanDerWaalsContact C-N 3.34Å; R282-T284 PolarHBondContact O-N 2.67Å; R282-E285 PolarHBondContact O-N 2.9Å; R282-E286 HydrophobicContact CG-CG 4.26Å; R282-E286 IonicContact CZ-OE1 2.77Å; R282-E286 IonicContact NE-OE1 3.97Å; R282-E286 PolarHBondContact NE-OE1 3.08Å; R282-E286 IonicContact NE-OE2 3.21Å; R282-E286 IonicContact NH2-OE1 3.37Å; R282-E286 PolarHBondContact NH2-OE1 3.27Å; R282-E286 WeakPolarHBondContact O-CB 3.5Å; R282-E286 WeakPolarHBondContact O-CG 3.49Å; R282-E286 PolarHBondContact O-N 2.78Å
283	R	96.9	Very high	95.1	Very high	104 Å²	104	68.4 Å²	68.4	39%	0.392	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-45.5	179.3	-79.1	-173.5	-66.6	-130.1	-9	112	T118 G279 R280 E285 E286 E287	T118-R283 HydrophobicContact CG2-CG 3.86Å; T118-R283 PolarHBondContact O-NH1 2.98Å; T118-R283 PolarHBondContact O-NH2 2.67Å; T118-R283 VanDerWaalsContact O-NH2 3.13Å; T118-R283 WeakPolarHBondContact OG1-CD 3.46Å; T118-R283 PolarHBondContact OG1-NH1 2.83Å; G279-R283 PolarHBondContact O-N 3.46Å; R280-R283 PolarHBondContact O-N 2.7Å; R280-R283 VanDerWaalsContact O-N 3.15Å; R283-E285 VanDerWaalsContact C-N 3.34Å; R283-E285 PolarHBondContact O-N 3.46Å; R283-E286 PolarHBondContact O-N 2.72Å; R283-E287 VanDerWaalsContact O-CB 3.28Å; R283-E287 WeakPolarHBondContact O-CB 3.39Å; R283-E287 PolarHBondContact O-N 3.01Å
284	T	97.1	Very high	93.1	Very high	65 Å²	65	70.3 Å²	70.3	40%	0.399	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-45	178.9	-59.3	0	0	0	0	110.8	R280 D281 R282 N288	R280-T284 PolarHBondContact O-N 2.96Å; R280-T284 PolarHBondContact O-OG1 3.42Å; D281-T284 PolarHBondContact O-N 2.8Å; R282-T284 VanDerWaalsContact C-N 3.34Å; R282-T284 PolarHBondContact O-N 2.67Å; T284-N288 WeakPolarHBondContact O-CB 3.48Å; T284-N288 PolarHBondContact O-N 3.37Å; T284-N288 PolarHBondContact O-ND2 3.29Å; T284-N288 VanDerWaalsContact O-ND2 3.16Å; T284-N288 PolarHBondContact O-OD1 3.25Å
285	E	97.4	Very high	90.7	Very high	45 Å²	45	75 Å²	75	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-69.9	-38.2	179	-70.1	-165.1	-151.1	0	0	113.1	L130 K132 F134 R273 D281 R282 R283 N288 L289	L130-E285 HydrophobicContact CD1-CB 3.65Å; K132-E285 WeakPolarHBondContact CE-OE2 3.2Å; K132-E285 IonicContact NZ-OE1 3.17Å; K132-E285 PolarHBondContact NZ-OE1 2.81Å; K132-E285 IonicContact NZ-OE2 3.31Å; K132-E285 PolarHBondContact NZ-OE2 2.87Å; F134-E285 HydrophobicContact CE1-CG 4.22Å; F134-E285 WeakPolarHBondContact CE1-OE1 3.24Å; F134-E285 HydrophobicContact CZ-CB 4.07Å; F134-E285 HydrophobicContact CZ-CG 4.23Å; R273-E285 WeakPolarHBondContact CD-OE1 3.16Å; R273-E285 IonicContact NE-OE1 3.27Å; R273-E285 IonicContact NH1-OE1 3.72Å; D281-E285 WeakPolarHBondContact O-CG 3.49Å; D281-E285 PolarHBondContact O-N 3.28Å; R282-E285 PolarHBondContact O-N 2.9Å; R283-E285 VanDerWaalsContact C-N 3.34Å; R283-E285 PolarHBondContact O-N 3.46Å; E285-N288 PolarHBondContact O-N 2.88Å; E285-L289 PolarHBondContact O-N 3.25Å
286	E	96.9	Very high	88.3	Confident	50 Å²	50	81.7 Å²	81.7	23%	0.234	41%	0.412	C	S	.	.	H	α-helix	trans	-65.3	-41.9	174.1	-74.4	177.2	168.4	0	0	111.9	S127 L130 R282 R283 L289 R290	S127-E286 WeakPolarHBondContact CB-OE1 3.06Å; S127-E286 WeakPolarHBondContact OG-CG 3.19Å; S127-E286 PolarHBondContact OG-OE1 3.34Å; L130-E286 HydrophobicContact CD1-CG 4.01Å; L130-E286 HydrophobicContact CG-CG 4.5Å; R282-E286 HydrophobicContact CG-CG 4.26Å; R282-E286 IonicContact CZ-OE1 2.77Å; R282-E286 IonicContact NE-OE1 3.97Å; R282-E286 PolarHBondContact NE-OE1 3.08Å; R282-E286 IonicContact NE-OE2 3.21Å; R282-E286 IonicContact NH2-OE1 3.37Å; R282-E286 PolarHBondContact NH2-OE1 3.27Å; R282-E286 WeakPolarHBondContact O-CB 3.5Å; R282-E286 WeakPolarHBondContact O-CG 3.49Å; R282-E286 PolarHBondContact O-N 2.78Å; R283-E286 PolarHBondContact O-N 2.72Å; E286-L289 WeakPolarHBondContact O-CB 3.21Å; E286-L289 PolarHBondContact O-N 3.02Å; E286-R290 PolarHBondContact O-N 3.34Å
287	E	96.6	Very high	85.9	Confident	80 Å²	80	85.4 Å²	85.4	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-41.3	175	-174.6	-177.8	171.2	0	0	111.4	R283 L289 R290 K291	R283-E287 VanDerWaalsContact O-CB 3.28Å; R283-E287 WeakPolarHBondContact O-CB 3.39Å; R283-E287 PolarHBondContact O-N 3.01Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 2.74Å; E287-R290 PolarHBondContact O-N 3.08Å; E287-K291 HydrophobicContact CG-CD 4.37Å; E287-K291 WeakPolarHBondContact O-CG 3.38Å; E287-K291 PolarHBondContact O-N 3.24Å; E287-K291 WeakPolarHBondContact OE1-CE 3.45Å; E287-K291 IonicContact OE1-NZ 2.83Å; E287-K291 PolarHBondContact OE1-NZ 3.25Å
288	N	96	Very high	83.1	Confident	76 Å²	76	90.4 Å²	90.4	41%	0.406	44%	0.435	S	S	.	.	H	α-helix	trans	-64	-35.2	175.2	-71.4	-20.1	0	0	0	112.1	T284 E285 K292	T284-N288 WeakPolarHBondContact O-CB 3.48Å; T284-N288 PolarHBondContact O-N 3.37Å; T284-N288 PolarHBondContact O-ND2 3.29Å; T284-N288 VanDerWaalsContact O-ND2 3.16Å; T284-N288 PolarHBondContact O-OD1 3.25Å; E285-N288 PolarHBondContact O-N 2.88Å; N288-K292 VanDerWaalsContact O-CG 3.3Å; N288-K292 WeakPolarHBondContact O-CG 3.38Å; N288-K292 PolarHBondContact O-N 2.88Å
289	L	94.3	Very high	80.4	Confident	83 Å²	83	98.2 Å²	98.2	44%	0.435	48%	0.476	S	S	.	.	H	α-helix	trans	-65.7	-44.3	173.1	-174.3	71	0	0	0	110.9	A129 L130 E285 E286 E287 K292 G293	A129-L289 HydrophobicContact CB-CD2 4.18Å; L130-L289 HydrophobicContact CD2-CB 4.18Å; L130-L289 HydrophobicContact CD2-CD1 4.36Å; L130-L289 HydrophobicContact CD2-CD2 3.8Å; L130-L289 HydrophobicContact CD2-CG 4.34Å; L130-L289 HydrophobicContact CG-CD2 4.44Å; E285-L289 PolarHBondContact O-N 3.25Å; E286-L289 WeakPolarHBondContact O-CB 3.21Å; E286-L289 PolarHBondContact O-N 3.02Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 2.74Å; L289-K292 PolarHBondContact O-N 2.85Å; L289-G293 PolarHBondContact O-N 3.12Å
290	R	93.7	Very high	77.9	Confident	158 Å²	158	103.8 Å²	103.8	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-61.2	-46.8	178.3	-172.2	-179.6	67.2	-176.5	-0.6	112	E286 E287 K292 G293 E294	E286-R290 PolarHBondContact O-N 3.34Å; E287-R290 PolarHBondContact O-N 3.08Å; R290-K292 PolarHBondContact O-N 2.9Å; R290-G293 PolarHBondContact O-N 2.84Å; R290-E294 PolarHBondContact O-N 3.45Å
291	K	93.5	Very high	75.4	Confident	115 Å²	115	103.3 Å²	103.3	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-28.5	178.4	-73.5	176.4	-178.9	169.2	0	113.6	E287	E287-K291 HydrophobicContact CG-CD 4.37Å; E287-K291 WeakPolarHBondContact O-CG 3.38Å; E287-K291 PolarHBondContact O-N 3.24Å; E287-K291 WeakPolarHBondContact OE1-CE 3.45Å; E287-K291 IonicContact OE1-NZ 2.83Å; E287-K291 PolarHBondContact OE1-NZ 3.25Å
292	K	84.8	Confident	72.9	Confident	176 Å²	176	105.8 Å²	105.8	77%	0.765	56%	0.555	S	S	*	*	H	α-helix	trans	-78.3	-20.5	175	-73.2	175.7	-179.2	-172.8	0	113.2	N288 L289 R290	N288-K292 VanDerWaalsContact O-CG 3.3Å; N288-K292 WeakPolarHBondContact O-CG 3.38Å; N288-K292 PolarHBondContact O-N 2.88Å; L289-K292 PolarHBondContact O-N 2.85Å; R290-K292 PolarHBondContact O-N 2.9Å
293	G	71.1	Confident	70.1	Confident	64 Å²	64	109.9 Å²	109.9	66%	0.66	59%	0.589	S	S	*	*	H	α-helix	trans	-87.9	-20.3	179	0	0	0	0	0	114	L289 R290 P295	L289-G293 PolarHBondContact O-N 3.12Å; R290-G293 PolarHBondContact O-N 2.84Å; G293-P295 WeakPolarHBondContact O-CD 3.48Å
294	E	56.9	Low	67.5	Low	132 Å²	132	111.5 Å²	111.5	62%	0.617	61%	0.611	S	S	*	*	S	Bend	trans	-83.3	115.6	171.7	-73.2	-178.8	148.4	0	0	109.1	R290 H296	R290-E294 PolarHBondContact O-N 3.45Å; E294-H296 PolarHBondContact O-N 3.47Å
295	P	49.4	Very low	64.9	Low	99 Å²	99	117.8 Å²	117.8	64%	0.643	63%	0.632	S	S	*	*			trans	-59.8	135.4	162.5	-1.2	14.4	0	0	0	107	G293 H297	G293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-H297 PolarHBondContact O-N 3.45Å
296	H	46	Very low	62.3	Low	153 Å²	153	127.3 Å²	127.3	71%	0.708	67%	0.666	S	S	*	*			trans	-60.6	82.5	177.2	-160.9	-96.6	0	0	0	110.3	E294 E298 E326	E294-H296 PolarHBondContact O-N 3.47Å; H296-E298 PolarHBondContact O-N 3.19Å; H296-E326 IonicContact CE1-OE1 2.82Å; H296-E326 PolarHBondContact CE1-OE1 3.3Å; H296-E326 IonicContact NE2-OE1 3.84Å; H296-E326 PolarHBondContact NE2-OE1 3.18Å
297	H	47.2	Very low	59.8	Low	154 Å²	154	129.4 Å²	129.4	71%	0.713	69%	0.692	S	S	*	*			trans	-81.3	99.3	170	-98.3	-73	0	0	0	107.9	P295	P295-H297 PolarHBondContact O-N 3.45Å
298	E	39	Very low	57	Low	159 Å²	159	133.2 Å²	133.2	74%	0.743	71%	0.714	S	S	*	*			trans	29.1	112.9	131.8	-66.7	179.3	147.7	0	0	116.1	H296	H296-E298 PolarHBondContact O-N 3.19Å
299	L	41	Very low	54.8	Low	164 Å²	164	135.4 Å²	135.4	86%	0.859	73%	0.733	S	S	*	*	S	Bend	trans	-4.1	129.4	149.3	-68	155.8	0	0	0	114.8
300	P	46	Very low	52.5	Low	117 Å²	117	138 Å²	138	76%	0.76	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-58.2	132.1	-178.1	24.1	-31.2	0	0	0	109.9	G302	P300-G302 PolarHBondContact O-N 3.4Å
301	P	45.2	Very low	50.3	Low	127 Å²	127	137.1 Å²	137.1	83%	0.825	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61.5	130.6	177.9	25.9	-32	0	0	0	108.2
302	G	43.9	Very low	47.9	Very low	67 Å²	67	138.4 Å²	138.4	69%	0.691	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-53.5	145.4	179.8	0	0	0	0	0	112.4	P300	P300-G302 PolarHBondContact O-N 3.4Å
303	S	39.1	Very low	45.8	Very low	120 Å²	120	136 Å²	136	84%	0.839	78%	0.777	S	S	*	*			trans	54.3	99.8	144.9	-166.9	0	0	0	0	116.5
304	T	42	Very low	44.2	Very low	138 Å²	138	138.3 Å²	138.3	85%	0.847	78%	0.783	S	S	*	*			trans	-140.2	125.4	146.2	-10.7	0	0	0	0	109.6
305	K	44.1	Very low	43.3	Very low	196 Å²	196	136.8 Å²	136.8	85%	0.852	79%	0.787	S	S	*	*			trans	69.7	89.8	170.2	-89.1	173.5	166.5	175.1	0	117.7
306	R	42.5	Very low	43	Very low	245 Å²	245	138.2 Å²	138.2	93%	0.925	80%	0.797	S	S	*	*				-148.7	130.1	125.4	-124.6	175.7	-77.9	-170.8	-1.8	110.9
307	A	42.8	Very low	43	Very low	94 Å²	94	139 Å²	139	78%	0.777	80%	0.8	S	S	*	*			trans	-68.9	145.3	-175.7	0	0	0	0	0	112
308	L	39.6	Very low	42.9	Very low	161 Å²	161	137.7 Å²	137.7	84%	0.843	81%	0.806	S	S	*	*			trans	-67	140	170.3	-89.5	71.7	0	0	0	111
309	P	49.5	Very low	43	Very low	122 Å²	122	139.8 Å²	139.8	79%	0.792	81%	0.812	S	S	*	*			trans	-109.3	138	140.5	-2.4	22.4	0	0	0	110.7
310	N	45.9	Very low	43.2	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	81%	0.813	S	S	*	*			trans	-54.9	150	177.9	-91.1	-10.5	0	0	0	114.4
311	N	46.4	Very low	43	Very low	140 Å²	140	145.4 Å²	145.4	75%	0.749	82%	0.818	S	S	*	*			trans	111.3	101.4	150.1	-54.1	-30.6	0	0	0	117.6
312	T	43.6	Very low	42.9	Very low	141 Å²	141	145 Å²	145	87%	0.865	82%	0.816	S	S	*	*			trans	52.3	84.6	137.9	38.9	0	0	0	0	119.1
313	S	39.9	Very low	43	Very low	125 Å²	125	150.4 Å²	150.4	87%	0.874	83%	0.828	S	S	*	*				177	127.5	127.4	-178.9	0	0	0	0	108.6
314	S	38.5	Very low	43.4	Very low	114 Å²	114	152.1 Å²	152.1	80%	0.797	83%	0.827	S	S	*	*			trans	-83.9	134.3	-164.2	46.8	0	0	0	0	114.3
315	S	37.3	Very low	43.8	Very low	100 Å²	100	147.1 Å²	147.1	70%	0.699	80%	0.803	S	S	*	*			trans	86.8	103.6	157.8	-172	0	0	0	0	119.5
316	P	43.2	Very low	44.4	Very low	129 Å²	129	142.6 Å²	142.6	84%	0.838	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-86.1	119	155.5	4.6	14.4	0	0	0	111
317	Q	46.6	Very low	45.2	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-79.2	129.5	171.6	-78.4	-166.3	-30.6	0	0	111.9
318	P	45.5	Very low	46	Very low	127 Å²	127	138.5 Å²	138.5	83%	0.825	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-82.1	119.2	166.1	17.8	-6.9	0	0	0	111
319	K	40.7	Very low	46.8	Very low	202 Å²	202	135.3 Å²	135.3	88%	0.878	74%	0.741	S	S	*	*			trans	-99.5	73.7	178	-123.9	-174.5	-173.4	176.7	0	110.7
320	K	44.3	Very low	47.6	Very low	201 Å²	201	133.6 Å²	133.6	87%	0.874	73%	0.725	S	S	*	*			trans	-148.8	124.6	159	-76.4	-163.1	178	176.2	0	110.6
321	K	42.4	Very low	48	Very low	198 Å²	198	132.5 Å²	132.5	86%	0.861	72%	0.715	S	S	*	*			trans	-66.7	138.9	170.5	-73.8	177.5	174.2	-178.1	0	109.4
322	P	43.6	Very low	48.5	Very low	120 Å²	120	130.1 Å²	130.1	78%	0.779	70%	0.701	S	S	*	*			trans	-63.9	138.9	168.4	-7.6	23.2	0	0	0	108.9	D324	P322-D324 PolarHBondContact O-N 3.49Å
323	L	45.9	Very low	49.1	Very low	180 Å²	180	128.4 Å²	128.4	94%	0.942	69%	0.686	S	S	*	*			trans	-74.4	109.1	165.6	-90	120	0	0	0	107.4
324	D	47.5	Very low	50	Low	155 Å²	155	127 Å²	127	83%	0.829	67%	0.668	S	S	*	*			trans	-75.3	135.5	168.3	-111.3	-25.2	0	0	0	109.9	P322	P322-D324 PolarHBondContact O-N 3.49Å
325	G	49.3	Very low	51.1	Low	33 Å²	33	129.5 Å²	129.5	34%	0.34	67%	0.672	S	S	.	*			trans	133.5	59.5	173.2	0	0	0	0	0	113.8
326	E	57.9	Low	51.9	Low	101 Å²	101	132.6 Å²	132.6	47%	0.472	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-75.6	123.1	162.1	-74.8	-173	176	0	0	109.2	H296 F328	H296-E326 IonicContact CE1-OE1 2.82Å; H296-E326 PolarHBondContact CE1-OE1 3.3Å; H296-E326 IonicContact NE2-OE1 3.84Å; H296-E326 PolarHBondContact NE2-OE1 3.18Å; E326-F328 HydrophobicContact CB-CE2 3.86Å; E326-F328 HydrophobicContact CB-CZ 3.98Å; E326-F328 WeakPolarHBondContact OE2-CZ 3.5Å
327	Y	58.9	Low	52.4	Low	142 Å²	142	133.7 Å²	133.7	56%	0.557	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93	124.8	174.5	-68.1	-93	0	0	0	109.5	L342 N344	Y327-L342 HydrophobicContact CD1-CD2 3.92Å; Y327-L342 HydrophobicContact CG-CD2 4.22Å; Y327-N344 WeakPolarHBondContact CE1-ND2 3.41Å; Y327-N344 WeakPolarHBondContact CE1-OD1 3.49Å; Y327-N344 PolarHBondContact OH-ND2 3.36Å
328	F	60.6	Low	52.7	Low	111 Å²	111	132.6 Å²	132.6	49%	0.487	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	139.2	172.1	-59.6	-85.9	0	0	0	109.9	E326 I343	E326-F328 HydrophobicContact CB-CE2 3.86Å; E326-F328 HydrophobicContact CB-CZ 3.98Å; E326-F328 WeakPolarHBondContact OE2-CZ 3.5Å; F328-I343 PolarHBondContact N-O 3.26Å; F328-I343 PolarHBondContact O-N 3.02Å
329	T	55.9	Low	53.5	Low	95 Å²	95	128.7 Å²	128.7	58%	0.583	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.8	108.6	171.9	-46.4	0	0	0	0	108	Y340	T329-Y340 HydrophobicContact CG2-CD1 3.87Å
330	L	64.8	Low	54.2	Low	85 Å²	85	126.4 Å²	126.4	45%	0.445	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	123	175.1	-149.5	81.4	0	0	0	109.1	M332 F341 I343	L330-M332 HydrophobicContact CD2-CG 3.95Å; L330-M332 HydrophobicContact CD2-SD 3.96Å; L330-F341 PolarHBondContact N-O 3.42Å; L330-I343 HydrophobicContact CB-CD1 4.1Å; L330-I343 HydrophobicContact CD2-CD1 4.23Å
331	Q	54.6	Low	55.3	Low	115 Å²	115	122 Å²	122	54%	0.537	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	113.8	169.1	-91.3	-179.4	-31.3	0	0	108.8	W338 Y340	Q331-W338 HydrophobicContact CB-CE3 4.08Å; Q331-W338 HydrophobicContact CB-CZ3 3.9Å; Q331-W338 HydrophobicContact CG-CE3 4.2Å; Q331-W338 HydrophobicContact CG-CZ3 4.36Å; Q331-Y340 HydrophobicContact CG-CD1 4.24Å; Q331-Y340 HydrophobicContact CG-CE1 3.85Å; Q331-Y340 PolarHBondContact NE2-OH 3.01Å
332	M	58.1	Low	55.8	Low	89 Å²	89	118.8 Å²	118.8	44%	0.438	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	133	170.3	-73.6	-173	59	0	0	110	L330 L334 C339	L330-M332 HydrophobicContact CD2-CG 3.95Å; L330-M332 HydrophobicContact CD2-SD 3.96Å; M332-L334 HydrophobicContact CE-CD1 4.21Å; M332-C339 PolarHBondContact O-N 3.36Å
333	L	55.8	Low	56.7	Low	106 Å²	106	117.1 Å²	117.1	56%	0.555	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.7	105.3	168.9	-165.2	86.2	0	0	0	107.6	W338	L333-W338 HydrophobicContact CD1-CD2 4.06Å; L333-W338 HydrophobicContact CD1-CE3 4.42Å; L333-W338 HydrophobicContact CD1-CH2 4.32Å; L333-W338 HydrophobicContact CD1-CZ2 3.93Å
334	L	59.2	Low	56.6	Low	95 Å²	95	112.2 Å²	112.2	50%	0.497	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.5	170.7	-94.3	143.3	0	0	0	107.3	M332 L336 R337	M332-L334 HydrophobicContact CE-CD1 4.21Å; L334-L336 PolarHBondContact O-N 3.03Å; L334-R337 PolarHBondContact N-O 3.13Å; L334-R337 VanDerWaalsContact N-O 3.16Å; L334-R337 PolarHBondContact O-N 3.12Å; L334-R337 VanDerWaalsContact O-O 3.08Å
335	D	60	Low	57	Low	166 Å²	166	108.6 Å²	108.6	89%	0.888	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	52.5	170.8	-120.6	1.7	0	0	0	114.1	R337	D335-R337 PolarHBondContact O-N 2.95Å; D335-R337 VanDerWaalsContact O-N 3.12Å
336	L	55.8	Low	57.1	Low	166 Å²	166	115 Å²	115	87%	0.869	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.2	11.6	-178.8	-59.7	164.3	0	0	0	115.4	L334	L334-L336 PolarHBondContact O-N 3.03Å
337	R	53.2	Low	57.1	Low	152 Å²	152	115.7 Å²	115.7	57%	0.574	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.8	135.1	176	-128.5	169.5	178.3	178.8	-3.8	110.9	L334 D335	L334-R337 PolarHBondContact N-O 3.13Å; L334-R337 VanDerWaalsContact N-O 3.16Å; L334-R337 PolarHBondContact O-N 3.12Å; L334-R337 VanDerWaalsContact O-O 3.08Å; D335-R337 PolarHBondContact O-N 2.95Å; D335-R337 VanDerWaalsContact O-N 3.12Å
338	W	53.6	Low	57	Low	146 Å²	146	114.3 Å²	114.3	55%	0.553	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.6	119	170.6	-69.5	101.2	0	0	0	109.4	Q331 L333	Q331-W338 HydrophobicContact CB-CE3 4.08Å; Q331-W338 HydrophobicContact CB-CZ3 3.9Å; Q331-W338 HydrophobicContact CG-CE3 4.2Å; Q331-W338 HydrophobicContact CG-CZ3 4.36Å; L333-W338 HydrophobicContact CD1-CD2 4.06Å; L333-W338 HydrophobicContact CD1-CE3 4.42Å; L333-W338 HydrophobicContact CD1-CH2 4.32Å; L333-W338 HydrophobicContact CD1-CZ2 3.93Å
339	C	62.2	Low	56.8	Low	45 Å²	45	114.5 Å²	114.5	30%	0.304	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	137.7	169.4	-69.6	0	0	0	0	109.5	M332 F341	M332-C339 PolarHBondContact O-N 3.36Å; C339-F341 HydrophobicContact CB-CD2 4.17Å; C339-F341 HydrophobicContact CB-CE2 3.5Å; C339-F341 VanDerWaalsContact CB-CE2 3.5Å; C339-F341 HydrophobicContact CB-CZ 4.15Å
340	Y	54.9	Low	56.8	Low	153 Å²	153	115.6 Å²	115.6	60%	0.6	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.4	118.6	173.3	-65	-86.2	0	0	0	108.5	T329 Q331	T329-Y340 HydrophobicContact CG2-CD1 3.87Å; Q331-Y340 HydrophobicContact CG-CD1 4.24Å; Q331-Y340 HydrophobicContact CG-CE1 3.85Å; Q331-Y340 PolarHBondContact NE2-OH 3.01Å
341	F	68.2	Low	56.3	Low	110 Å²	110	117.6 Å²	117.6	48%	0.482	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	134.9	172.9	-65.9	-85.7	0	0	0	109.6	L330 C339 I343	L330-F341 PolarHBondContact N-O 3.42Å; C339-F341 HydrophobicContact CB-CD2 4.17Å; C339-F341 HydrophobicContact CB-CE2 3.5Å; C339-F341 VanDerWaalsContact CB-CE2 3.5Å; C339-F341 HydrophobicContact CB-CZ 4.15Å; F341-I343 HydrophobicContact CB-CG1 4.45Å
342	L	51.6	Low	56.5	Low	129 Å²	129	117.7 Å²	117.7	68%	0.675	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.6	112.1	164.3	-83.5	160.1	0	0	0	106.8	Y327	Y327-L342 HydrophobicContact CD1-CD2 3.92Å; Y327-L342 HydrophobicContact CG-CD2 4.22Å
343	I	62.6	Low	56.3	Low	85 Å²	85	119.8 Å²	119.8	44%	0.436	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	121.5	173.8	-56	174	0	0	0	106.5	F328 L330 F341	F328-I343 PolarHBondContact N-O 3.26Å; F328-I343 PolarHBondContact O-N 3.02Å; L330-I343 HydrophobicContact CB-CD1 4.1Å; L330-I343 HydrophobicContact CD2-CD1 4.23Å; F341-I343 HydrophobicContact CB-CG1 4.45Å
344	N	45	Very low	56.4	Low	78 Å²	78	120.8 Å²	120.8	42%	0.417	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.3	122.1	168.3	-121.1	-24.1	0	0	0	107	Y327 S346	Y327-N344 WeakPolarHBondContact CE1-ND2 3.41Å; Y327-N344 WeakPolarHBondContact CE1-OD1 3.49Å; Y327-N344 PolarHBondContact OH-ND2 3.36Å; N344-S346 PolarHBondContact O-N 3.06Å
345	S	53.9	Low	56.1	Low	79 Å²	79	123 Å²	123	55%	0.552	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-71.7	118.1	164.6	-157.5	0	0	0	0	107.1
346	S	52.8	Low	55.8	Low	167 Å²	167	119.1 Å²	119.1	100%	1.168	60%	0.603	S	S	*	*			trans	-92.8	0	172.5	-53.6	0	0	0	0	110.7	N344	N344-S346 PolarHBondContact O-N 3.06Å

Retrieved 346 of 346 residues in 187.5 ms (Link to these results)

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