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Integrin beta-1-binding protein 1

Key regulator of the integrin-mediated cell-matrix interaction signaling by binding to the ITGB1 cytoplasmic tail and preventing the activation of integrin alpha-5/beta-1 (heterodimer of ITGA5 and ITGB1) by talin or FERMT1. Plays a role in cell proliferation, differentiation, spreading, adhesion and migration in the context of mineralization and bone development and angiogenesis. Stimulates cellular proliferation in a fibronectin-dependent manner. Involved in the regulation of beta-1 integrin-containing focal adhesion (FA) site dynamics by controlling its assembly rate during cell adhesion; inhibits beta-1 integrin clustering within FA by directly competing with talin TLN1, and hence stimulates osteoblast spreading and migration in a fibronectin- and/or collagen-dependent manner. Acts as a guanine nucleotide dissociation inhibitor (GDI) by regulating Rho family GTPases during integrin-mediated cell matrix adhesion; reduces the level of active GTP-bound form of both CDC42 and RAC1 GTPases upon cell adhesion to fibronectin. Stimulates the release of active CDC42 from the membranes to maintain it in an inactive cytoplasmic pool. Participates in the translocation of the Rho-associated protein kinase ROCK1 to membrane ruffles at cell leading edges of the cell membrane, leading to an increase of myoblast cell migration on laminin. Plays a role in bone mineralization at a late stage of osteoblast differentiation; modulates the dynamic formation of focal adhesions into fibrillar adhesions, which are adhesive structures responsible for fibronectin deposition and fibrillogenesis. Plays a role in blood vessel development; acts as a negative regulator of angiogenesis by attenuating endothelial cell proliferation and migration, lumen formation and sprouting angiogenesis by promoting AKT phosphorylation and inhibiting ERK1/2 phosphorylation through activation of the Notch signaling pathway. Promotes transcriptional activity of the MYC promoter.

AlphaFold DB , UniProt , Accession O14713, Species HUMAN (Homo sapiens, Human), Gene ITGB1BP1, Length 200 aa.

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(Predicted Aligned Error values between residue pairs)

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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	53.7	Low	59.1	Low	241 Å²	241	185.4 Å²	185.4	100%	1.187	90%	0.904	S	S	*	*				0	154.6	0	-80.8	172.4	155.5	0	0	109.7
2	F	59	Low	58.6	Low	210 Å²	210	179.5 Å²	179.5	92%	0.921	90%	0.896	S	S	*	*			trans	-73.5	152.7	-146.8	-65.7	-97.6	0	0	0	117.6
3	R	61.8	Low	58	Low	241 Å²	241	174.4 Å²	174.4	91%	0.909	89%	0.887	S	S	*	*			trans	-83.8	142.1	172	-70.4	175.1	168.6	-179.6	-3.5	112.5
4	K	67.3	Low	58	Low	217 Å²	217	170.6 Å²	170.6	94%	0.943	89%	0.885	S	S	*	*			trans	159.7	144.2	142.7	-98.7	170.8	173	174.1	0	108.3
5	G	57.4	Low	57.7	Low	81 Å²	81	171.2 Å²	171.2	84%	0.835	88%	0.882	S	S	*	*			cis	-165.7	174.7	13.3	0	0	0	0	0	111.4
6	K	58	Low	57.4	Low	203 Å²	203	167.8 Å²	167.8	88%	0.883	88%	0.878	S	S	*	*			trans	-119.2	142	-160.3	172.1	175.1	-177.8	167.9	0	109.7
7	K	64.6	Low	57.1	Low	190 Å²	190	164.6 Å²	164.6	83%	0.826	87%	0.873	S	S	*	*			trans	166.2	148.8	149.9	-99.2	179.1	-176.2	-176.3	0	109.1
8	R	62.2	Low	56.7	Low	223 Å²	223	165.7 Å²	165.7	84%	0.842	87%	0.872	S	S	*	*			cis	-169.5	138.7	-25.5	-118.1	179.3	117.5	168.2	2	104
9	H	58.6	Low	56.6	Low	183 Å²	183	165.7 Å²	165.7	85%	0.847	87%	0.871	S	S	*	*			trans	-79.8	151.1	173.5	-61.1	-86.9	0	0	0	111.6
10	S	57.9	Low	56.4	Low	129 Å²	129	163.6 Å²	163.6	90%	0.902	87%	0.87	S	S	*	*			trans	-156.9	114.1	148.4	-63.4	0	0	0	0	110.2
11	S	49.6	Very low	56.5	Low	121 Å²	121	161.8 Å²	161.8	85%	0.846	87%	0.866	S	S	*	*			trans	-98.2	139.2	166.4	44.5	0	0	0	0	109.4
12	S	53.6	Low	56.5	Low	115 Å²	115	160 Å²	160	80%	0.804	85%	0.851	S	S	*	*			trans	-141.7	115.8	158.3	72.1	0	0	0	0	111.2
13	S	49.7	Very low	56.3	Low	113 Å²	113	155.7 Å²	155.7	79%	0.79	85%	0.847	S	S	*	*			trans	-68.1	150.7	163.7	47	0	0	0	0	112
14	S	58	Low	55.8	Low	122 Å²	122	153.6 Å²	153.6	85%	0.853	85%	0.845	S	S	*	*			trans	-142.8	123.4	158.7	-70.2	0	0	0	0	109.3
15	Q	54.1	Low	54.8	Low	179 Å²	179	148 Å²	148	84%	0.836	83%	0.833	S	S	*	*			trans	-89.2	166.5	177.4	-79.7	173.3	-56.5	0	0	111
16	S	52.4	Low	54.5	Low	117 Å²	117	151.3 Å²	151.3	82%	0.818	84%	0.837	S	S	*	*			trans	69.8	143.6	154.1	48.9	0	0	0	0	116.5
17	S	52.9	Low	53.8	Low	113 Å²	113	148.7 Å²	148.7	79%	0.79	83%	0.832	S	S	*	*			cis	-162.6	158.7	18.6	32.5	0	0	0	0	109.9
18	E	50.5	Low	52.6	Low	184 Å²	184	144 Å²	144	86%	0.86	82%	0.823	S	S	*	*			trans	-55.1	147.9	177.3	-57.8	161.2	117	0	0	114.6
19	I	53.9	Low	51.9	Low	167 Å²	167	139 Å²	139	86%	0.856	82%	0.823	S	S	*	*			trans	-145.9	121.3	142.3	-94.7	148	0	0	0	107.2
20	S	53.5	Low	51.4	Low	122 Å²	122	138.8 Å²	138.8	85%	0.853	83%	0.827	S	S	*	*			trans	-117	120.8	175.4	-128.4	0	0	0	0	107.5
21	T	58.1	Low	50.9	Low	126 Å²	126	136.5 Å²	136.5	77%	0.773	82%	0.823	S	S	*	*			trans	-117.1	99.4	167.7	48.4	0	0	0	0	109.1	S23	T21-S23 PolarHBondContact O-N 3.5Å
22	K	53.2	Low	50.7	Low	204 Å²	204	134.4 Å²	134.4	89%	0.887	82%	0.821	S	S	*	*			trans	-70.5	115.1	159.5	-92.1	178.9	172.8	175.1	0	108.3
23	S	55.5	Low	49.8	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	83%	0.825	S	S	*	*			trans	-103.1	124	157.7	-66.8	0	0	0	0	108.7	T21	T21-S23 PolarHBondContact O-N 3.5Å
24	K	49.7	Very low	49.6	Very low	196 Å²	196	137.6 Å²	137.6	85%	0.852	83%	0.829	S	S	*	*			trans	-78.2	136.2	-178.8	-76.9	175.3	172.3	175.8	0	111.1
25	S	47.2	Very low	49.4	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	83%	0.834	S	S	*	*			trans	17.3	134.2	141.1	61.5	0	0	0	0	120.1
26	V	51.3	Low	49	Very low	150 Å²	150	140.5 Å²	140.5	91%	0.909	83%	0.83	S	S	*	*				-163.2	142.3	105	-92.5	0	0	0	0	110.5
27	D	43.3	Very low	48.7	Very low	147 Å²	147	140.2 Å²	140.2	79%	0.786	83%	0.828	S	S	*	*			trans	-96.3	154.6	-173.3	-167.2	11.8	0	0	0	111.7
28	S	38.2	Very low	48.8	Very low	91 Å²	91	141 Å²	141	64%	0.636	83%	0.828	S	S	*	*			trans	34.8	127.1	151.8	63.4	0	0	0	0	121.6
29	S	48.6	Very low	48.7	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	83%	0.826	S	S	*	*				-176.6	143.5	119.5	47.8	0	0	0	0	113.8
30	L	48.6	Very low	48.6	Very low	179 Å²	179	135.7 Å²	135.7	94%	0.937	83%	0.827	S	S	*	*			trans	-60.3	163.5	175.8	-66.2	126.1	0	0	0	114.8
31	G	47	Very low	48	Very low	80 Å²	80	134.8 Å²	134.8	83%	0.825	82%	0.82	S	S	*	*			trans	109.7	126.1	164.7	0	0	0	0	0	111.1
32	G	44.5	Very low	47.8	Very low	77 Å²	77	137.3 Å²	137.3	79%	0.794	83%	0.828	S	S	*	*			cis	123.3	108.5	47.5	0	0	0	0	0	106
33	L	36.6	Very low	47.4	Very low	172 Å²	172	134.6 Å²	134.6	90%	0.901	82%	0.823	S	S	*	*			trans	-2.2	126.9	167.1	-54.6	169.3	0	0	0	117.3
34	S	44.9	Very low	47.5	Very low	123 Å²	123	136 Å²	136	86%	0.86	83%	0.827	S	S	*	*			trans	178.6	113.6	135.6	-80.7	0	0	0	0	110.9
35	R	53.7	Low	47.1	Very low	254 Å²	254	133.8 Å²	133.8	96%	0.958	82%	0.824	S	S	*	*			trans	-103.5	108.9	159.1	-78.1	-177.3	83	174.2	4.2	108.4
36	S	46.2	Very low	47	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	82%	0.821	S	S	*	*			trans	-62.9	129	175.3	-170.1	0	0	0	0	111.3
37	S	45.7	Very low	46.8	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	81%	0.814	S	S	*	*			trans	-84	125.6	163.6	52.8	0	0	0	0	109.1
38	T	53.7	Low	46.8	Very low	130 Å²	130	134.9 Å²	134.9	80%	0.798	82%	0.819	S	S	*	*			trans	-122.3	117.5	167.5	-40.7	0	0	0	0	108.8
39	V	48.5	Very low	47.2	Very low	135 Å²	135	135.6 Å²	135.6	82%	0.818	82%	0.824	S	S	*	*			trans	-73.6	141.7	172.2	-74.4	0	0	0	0	110
40	A	52.9	Low	46.6	Very low	105 Å²	105	135.7 Å²	135.7	87%	0.868	83%	0.825	S	S	*	*			trans	-134.9	107.7	160.3	0	0	0	0	0	107.6
41	S	40.9	Very low	46.1	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	81%	0.814	S	S	*	*			trans	-76.5	140.2	168.8	-56.5	0	0	0	0	109.8
42	L	53.3	Low	45.5	Very low	179 Å²	179	136.1 Å²	136.1	94%	0.937	82%	0.819	S	S	*	*			trans	-162.3	108.3	146.7	-105.3	129.9	0	0	0	109.5
43	D	45.2	Very low	45.3	Very low	147 Å²	147	136.2 Å²	136.2	79%	0.786	81%	0.807	S	S	*	*			trans	-66.1	138.7	171.8	-60.5	-68.1	0	0	0	111.1
44	T	57.6	Low	45.2	Very low	150 Å²	150	135.7 Å²	135.7	92%	0.92	81%	0.806	S	S	*	*			trans	-157.5	138	134.1	31.3	0	0	0	0	111.5
45	D	41.4	Very low	45	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	80%	0.797	S	S	*	*			trans	-57.8	145	-177.4	-155	-2.5	0	0	0	115.2
46	S	45.4	Very low	44.5	Very low	92 Å²	92	129.8 Å²	129.8	64%	0.643	78%	0.783	S	S	*	*				148.3	110.4	126.3	-62.8	0	0	0	0	115.5
47	T	47.1	Very low	44.5	Very low	124 Å²	124	128.1 Å²	128.1	76%	0.761	77%	0.772	S	S	*	*			trans	67.8	109.3	134.7	64.5	0	0	0	0	123
48	K	42.1	Very low	44.9	Very low	205 Å²	205	127.6 Å²	127.6	89%	0.891	76%	0.76	S	S	*	*				55.6	104.9	129.8	-66	-177.4	177.9	177.9	0	120.3
49	S	47	Very low	45.6	Very low	106 Å²	106	125.2 Å²	125.2	74%	0.741	75%	0.746	S	S	*	*				-169.8	108.6	122.7	51.7	0	0	0	0	108.5
50	S	37.4	Very low	47.4	Very low	122 Å²	122	122.2 Å²	122.2	85%	0.853	73%	0.73	S	S	*	*				39.6	102.7	101	66.1	0	0	0	0	114.2
51	G	37.6	Very low	49.4	Very low	67 Å²	67	118.4 Å²	118.4	69%	0.691	70%	0.699	S	S	*	*			trans	178	62.4	176.5	0	0	0	0	0	114.5	S53	G51-S53 PolarHBondContact O-N 3.46Å; G51-S53 VanDerWaalsContact O-N 3.14Å
52	Q	34.7	Very low	52.1	Low	200 Å²	200	118.3 Å²	118.3	94%	0.935	69%	0.687	S	S	*	*			trans	-46.7	114.2	157.2	-177.8	169.9	11.5	0	0	109.6
53	S	39.5	Very low	54.2	Low	79 Å²	79	111.2 Å²	111.2	55%	0.552	65%	0.649	S	S	*	*			trans	-144.7	105.5	159.9	50.2	0	0	0	0	108.9	G51 N55	G51-S53 PolarHBondContact O-N 3.46Å; G51-S53 VanDerWaalsContact O-N 3.14Å; S53-N55 PolarHBondContact O-N 3.33Å
54	N	35.2	Very low	56.7	Low	161 Å²	161	110.2 Å²	110.2	86%	0.861	63%	0.634	S	S	*	*			trans	-54.3	93.7	147.6	-79.5	-14.6	0	0	0	106.1	N56	N54-N56 PolarHBondContact O-N 2.84Å
55	N	40.4	Very low	58.6	Low	127 Å²	127	103.1 Å²	103.1	68%	0.679	59%	0.59	S	S	*	*			trans	-74.3	69	169.1	-82	-11.8	0	0	0	108.6	S53 S57	S53-N55 PolarHBondContact O-N 3.33Å; N55-S57 PolarHBondContact O-N 3.22Å
56	N	43.2	Very low	61.3	Low	126 Å²	126	97.1 Å²	97.1	67%	0.674	56%	0.557	S	S	*	*			trans	-77.9	42.4	152.4	-140.8	18.7	0	0	0	108	N54 D58	N54-N56 PolarHBondContact O-N 2.84Å; N56-D58 PolarHBondContact O-N 3.2Å; N56-D58 VanDerWaalsContact O-N 3.15Å
57	S	45	Very low	63.7	Low	73 Å²	73	94.9 Å²	94.9	51%	0.51	54%	0.535	S	S	.	.			trans	-64.6	117	171.3	58.6	0	0	0	0	105.4	N55 T59	N55-S57 PolarHBondContact O-N 3.22Å; S57-T59 VanDerWaalsContact C-N 3.34Å; S57-T59 PolarHBondContact O-N 3.03Å
58	D	55.4	Low	66.1	Low	100 Å²	100	89.3 Å²	89.3	54%	0.535	50%	0.501	S	S	.	.			trans	-45.1	101.4	172.7	-80.3	-38.5	0	0	0	108.7	N56 C60 K116	N56-D58 PolarHBondContact O-N 3.2Å; N56-D58 VanDerWaalsContact O-N 3.15Å; D58-C60 PolarHBondContact O-N 2.97Å; D58-K116 WeakPolarHBondContact OD1-CE 3.15Å; D58-K116 IonicContact OD1-NZ 2.7Å; D58-K116 PolarHBondContact OD1-NZ 3.47Å
59	T	68.4	Low	68.8	Low	80 Å²	80	80 Å²	80	49%	0.491	46%	0.463	S	S	.	.			trans	-74.3	67.5	-178.8	38.3	0	0	0	0	108.1	S57	S57-T59 VanDerWaalsContact C-N 3.34Å; S57-T59 PolarHBondContact O-N 3.03Å
60	C	85.9	Confident	71.2	Confident	72 Å²	72	76.2 Å²	76.2	49%	0.486	44%	0.438	S	S	.	.			trans	-89	116.8	173.1	-171.9	0	0	0	0	107.9	D58 V114	D58-C60 PolarHBondContact O-N 2.97Å; C60-V114 WeakPolarHBondContact CA-O 3.37Å
61	A	95.2	Very high	74	Confident	26 Å²	26	71.4 Å²	71.4	22%	0.215	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.8	173.3	0	0	0	0	0	109.4	F63 G113 V114 V186	A61-F63 HydrophobicContact CB-CE2 3.52Å; A61-F63 HydrophobicContact CB-CZ 3.68Å; A61-G113 CarbonylContact O-C 3.52Å; A61-G113 WeakPolarHBondContact O-CA 3.42Å; A61-V114 PolarHBondContact N-O 2.97Å; A61-V114 PolarHBondContact O-N 3.45Å; A61-V186 HydrophobicContact CB-CG1 4.23Å; A61-V186 HydrophobicContact CB-CG2 3.98Å
62	E	96.6	Very high	76.7	Confident	100 Å²	100	73.6 Å²	73.6	47%	0.467	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138	-180	-65.2	-170.8	160	0	0	111	I111 M112	E62-I111 HydrophobicContact CB-CG2 4.11Å; E62-I111 HydrophobicContact CG-CG2 4.33Å; E62-M112 CarbonylContact C-O 3.57Å; E62-M112 WeakPolarHBondContact CA-O 3.38Å
63	F	97.3	Very high	79.3	Confident	30 Å²	30	70.8 Å²	70.8	13%	0.132	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.4	-175.1	-56.4	-85.8	0	0	0	110.4	A61 I65 I111 M112 V114 Q179 A182 I183 V186	A61-F63 HydrophobicContact CB-CE2 3.52Å; A61-F63 HydrophobicContact CB-CZ 3.68Å; F63-I65 HydrophobicContact CB-CG2 4.41Å; F63-I111 WeakPolarHBondContact O-CA 3.36Å; F63-M112 PolarHBondContact N-O 3.5Å; F63-M112 PolarHBondContact O-N 3.06Å; F63-V114 HydrophobicContact CD2-CG2 4.19Å; F63-V114 HydrophobicContact CE2-CG2 4.09Å; F63-Q179 HydrophobicContact CB-CG 4.4Å; F63-Q179 HydrophobicContact CD1-CG 3.77Å; F63-Q179 HydrophobicContact CG-CG 4.44Å; F63-A182 HydrophobicContact CE1-CB 3.92Å; F63-A182 HydrophobicContact CZ-CB 4.2Å; F63-I183 HydrophobicContact CB-CD1 3.89Å; F63-I183 HydrophobicContact CB-CG1 4.14Å; F63-I183 HydrophobicContact CD1-CD1 4.28Å; F63-I183 HydrophobicContact CD1-CG1 3.87Å; F63-I183 HydrophobicContact CD2-CD1 4.07Å; F63-I183 HydrophobicContact CD2-CG1 3.37Å; F63-I183 HydrophobicContact CE1-CG1 4.04Å; F63-I183 HydrophobicContact CE2-CB 4.47Å; F63-I183 HydrophobicContact CE2-CG1 3.56Å; F63-I183 HydrophobicContact CG-CD1 3.82Å; F63-I183 HydrophobicContact CG-CG1 3.51Å; F63-I183 HydrophobicContact CZ-CG1 3.88Å; F63-V186 HydrophobicContact CZ-CG2 4.39Å
64	R	97.4	Very high	81.8	Confident	126 Å²	126	67.5 Å²	67.5	48%	0.475	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.3	170	-69.1	174	178.6	-85.1	-7	109.6	E109 F110 N175 Q179	R64-E109 IonicContact NH1-OE2 2.65Å; R64-F110 WeakPolarHBondContact CA-O 3.24Å; R64-N175 PolarHBondContact O-ND2 3.05Å; R64-Q179 PolarHBondContact O-NE2 2.8Å; R64-Q179 PolarHBondContact O-OE1 2.84Å
65	I	97.6	Very high	84.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	164	-178.4	58.5	79.6	0	0	0	110.3	F63 E109 F110 M112 V121 Y172 I183	F63-I65 HydrophobicContact CB-CG2 4.41Å; I65-E109 WeakPolarHBondContact O-CA 3.39Å; I65-F110 HydrophobicContact CD1-CB 3.96Å; I65-F110 PolarHBondContact N-O 3.36Å; I65-F110 PolarHBondContact O-N 3.03Å; I65-M112 HydrophobicContact CD1-CE 4.43Å; I65-M112 HydrophobicContact CG1-CB 3.73Å; I65-M112 HydrophobicContact CG1-CE 4.18Å; I65-V121 HydrophobicContact CD1-CG1 4.49Å; I65-Y172 HydrophobicContact CD1-CD1 3.61Å; I65-Y172 HydrophobicContact CD1-CE1 4.37Å; I65-Y172 HydrophobicContact CD1-CG 4.28Å; I65-I183 HydrophobicContact CG2-CD1 4.16Å
66	K	98.1	Very high	85.7	Confident	24 Å²	24	63.6 Å²	63.6	10%	0.104	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147.1	168	-66.6	179.9	170.4	-176.1	0	109.9	P105 E107 Y172 Q173	K66-P105 HydrophobicContact CB-CB 4.04Å; K66-P105 HydrophobicContact CB-CG 3.92Å; K66-P105 HydrophobicContact CD-CG 4.18Å; K66-E107 IonicContact NZ-OE1 2.81Å; K66-E107 PolarHBondContact NZ-OE1 3.31Å; K66-E107 IonicContact NZ-OE2 2.83Å; K66-E107 PolarHBondContact NZ-OE2 2.87Å; K66-Y172 CarbonylContact O-C 3.58Å; K66-Y172 WeakPolarHBondContact O-CA 3.38Å; K66-Q173 HydrophobicContact CB-CB 4.3Å; K66-Q173 PolarHBondContact N-O 3.29Å; K66-Q173 PolarHBondContact O-N 3.48Å
67	Y	97.7	Very high	87.1	Confident	45 Å²	45	62 Å²	62	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122	178.9	179.1	-127.2	0	0	0	110.6	G69 A70 P105 P106 L130 H131 V171 Y172	Y67-G69 VanDerWaalsContact CE2-O 3.27Å; Y67-G69 WeakPolarHBondContact CE2-O 3.34Å; Y67-G69 VanDerWaalsContact CZ-C 3.44Å; Y67-G69 VanDerWaalsContact CZ-CA 3.47Å; Y67-G69 VanDerWaalsContact OH-C 3.25Å; Y67-A70 WeakPolarHBondContact OH-CB 3.38Å; Y67-A70 PolarHBondContact OH-N 2.7Å; Y67-P105 WeakPolarHBondContact O-CB 3.35Å; Y67-P106 WeakPolarHBondContact O-CD 3.43Å; Y67-L130 HydrophobicContact CD1-CD2 4.28Å; Y67-L130 HydrophobicContact CE1-CD2 4.45Å; Y67-H131 AromaticContact CZ-NE2 3.71Å; Y67-V171 WeakPolarHBondContact CD2-O 3.4Å; Y67-Y172 AromaticContact CD2-CD1 3.64Å; Y67-Y172 HydrophobicContact CD2-CD1 3.64Å; Y67-Y172 AromaticContact CD2-CE1 3.38Å; Y67-Y172 HydrophobicContact CD2-CE1 3.38Å; Y67-Y172 HydrophobicContact CE2-CD1 4.44Å; Y67-Y172 AromaticContact CE2-CE1 3.87Å; Y67-Y172 HydrophobicContact CE2-CE1 3.87Å; Y67-Y172 HydrophobicContact CG-CD1 4.5Å; Y67-Y172 HydrophobicContact CG-CE1 4.35Å
68	V	97.4	Very high	88.3	Confident	7 Å²	7	63.2 Å²	63.2	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-46.7	178.7	179	0	0	0	0	110	P102 P105 L154 V171 Q173	V68-P102 HydrophobicContact CG1-CG 4.09Å; V68-P102 WeakPolarHBondContact CG1-O 3.29Å; V68-P102 VanDerWaalsContact O-CD 3.24Å; V68-P102 WeakPolarHBondContact O-CD 3.44Å; V68-P102 WeakPolarHBondContact O-CG 3.47Å; V68-P105 HydrophobicContact CB-CB 4.49Å; V68-P105 HydrophobicContact CG2-CB 3.96Å; V68-P105 HydrophobicContact CG2-CG 4.18Å; V68-L154 HydrophobicContact CG2-CD2 4.06Å; V68-V171 HydrophobicContact CB-CB 3.96Å; V68-V171 HydrophobicContact CB-CG1 3.87Å; V68-V171 WeakPolarHBondContact CB-O 3.5Å; V68-V171 HydrophobicContact CG1-CB 4.37Å; V68-V171 HydrophobicContact CG1-CG1 4.19Å; V68-V171 HydrophobicContact CG2-CG1 3.95Å; V68-V171 PolarHBondContact N-O 2.84Å; V68-Q173 HydrophobicContact CG2-CB 4.23Å
69	G	97.7	Very high	88.7	Confident	10 Å²	10	58.5 Å²	58.5	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155	-171.7	179.8	0	0	0	0	0	112.5	Y67 V171	Y67-G69 VanDerWaalsContact CE2-O 3.27Å; Y67-G69 WeakPolarHBondContact CE2-O 3.34Å; Y67-G69 VanDerWaalsContact CZ-C 3.44Å; Y67-G69 VanDerWaalsContact CZ-CA 3.47Å; Y67-G69 VanDerWaalsContact OH-C 3.25Å; G69-V171 PolarHBondContact N-O 3.48Å; G69-V171 PolarHBondContact O-N 2.86Å
70	A	97.5	Very high	88.4	Confident	26 Å²	26	61.9 Å²	61.9	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.7	177.7	0	0	0	0	0	112.1	Y67 E72 L169 W170	Y67-A70 WeakPolarHBondContact OH-CB 3.38Å; Y67-A70 PolarHBondContact OH-N 2.7Å; A70-E72 HydrophobicContact CB-CG 4.07Å; A70-L169 CarbonylContact C-O 3.53Å; A70-L169 WeakPolarHBondContact CA-O 3.41Å; A70-L169 WeakPolarHBondContact CB-O 3.41Å; A70-W170 HydrophobicContact CB-CD2 4.1Å; A70-W170 HydrophobicContact CB-CE3 3.42Å; A70-W170 VanDerWaalsContact CB-CE3 3.42Å; A70-W170 HydrophobicContact CB-CH2 4.46Å; A70-W170 HydrophobicContact CB-CZ3 3.61Å
71	I	95.9	Very high	87.7	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.108	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	104.2	168.2	-53.6	172.6	0	0	0	105.8	L74 Y91 A95 L101 S168 L169	I71-L74 HydrophobicContact CG2-CD1 4.12Å; I71-L74 HydrophobicContact CG2-CD2 3.66Å; I71-L74 HydrophobicContact CG2-CG 3.99Å; I71-Y91 HydrophobicContact CD1-CD1 4.35Å; I71-Y91 HydrophobicContact CD1-CE1 3.89Å; I71-A95 HydrophobicContact CD1-CB 3.45Å; I71-A95 VanDerWaalsContact CD1-CB 3.45Å; I71-L101 HydrophobicContact CD1-CD1 3.84Å; I71-L101 HydrophobicContact CD1-CG 4.23Å; I71-L101 HydrophobicContact CG1-CD1 4.06Å; I71-L101 HydrophobicContact CG1-CD2 4.41Å; I71-L101 HydrophobicContact CG1-CG 4.13Å; I71-S168 CarbonylContact O-C 3.57Å; I71-S168 WeakPolarHBondContact O-CA 3.47Å; I71-L169 HydrophobicContact CB-CB 4.37Å; I71-L169 PolarHBondContact N-O 2.83Å; I71-L169 PolarHBondContact O-N 2.91Å
72	E	94.7	Very high	87	Confident	112 Å²	112	60 Å²	60	52%	0.523	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	155.4	-171.5	-61.2	-177.5	-118.2	0	0	112.1	A70 L74 S168 W170	A70-E72 HydrophobicContact CB-CG 4.07Å; E72-L74 VanDerWaalsContact C-N 3.35Å; E72-L74 PolarHBondContact O-N 2.81Å; E72-S168 WeakPolarHBondContact CA-OG 3.42Å; E72-W170 HydrophobicContact CG-CH2 3.94Å; E72-W170 HydrophobicContact CG-CZ2 4.36Å; E72-W170 HydrophobicContact CG-CZ3 4.38Å
73	K	89.9	Confident	86.3	Confident	141 Å²	141	62.9 Å²	62.9	61%	0.613	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.5	40.6	170.9	-51.4	-174.7	-179.5	180	0	114	K75 E166 Y167 S168	K73-K75 PolarHBondContact O-N 2.93Å; K73-E166 WeakPolarHBondContact CG-OE2 3.34Å; K73-Y167 PolarHBondContact N-O 2.87Å; K73-S168 PolarHBondContact N-OG 3.45Å
74	L	91.1	Very high	86	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.058	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.6	169.8	-63.6	178.4	0	0	0	109.3	I71 E72 L82 Y91 E166 Y167 L169	I71-L74 HydrophobicContact CG2-CD1 4.12Å; I71-L74 HydrophobicContact CG2-CD2 3.66Å; I71-L74 HydrophobicContact CG2-CG 3.99Å; E72-L74 VanDerWaalsContact C-N 3.35Å; E72-L74 PolarHBondContact O-N 2.81Å; L74-L82 HydrophobicContact CD1-CD1 4.34Å; L74-Y91 HydrophobicContact CD1-CE1 4.05Å; L74-Y91 WeakPolarHBondContact CD2-OH 3.39Å; L74-E166 WeakPolarHBondContact O-CA 3.34Å; L74-Y167 WeakPolarHBondContact CB-O 3.32Å; L74-Y167 PolarHBondContact N-O 3.48Å; L74-Y167 PolarHBondContact O-N 3.5Å; L74-L169 HydrophobicContact CD1-CD1 4.02Å; L74-L169 HydrophobicContact CD1-CG 3.96Å
75	K	86.4	Confident	85.9	Confident	141 Å²	141	59.1 Å²	59.1	61%	0.613	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	150.2	177	-68	-177.6	179.1	178.8	0	110.8	K73 S77 E78 G79	K73-K75 PolarHBondContact O-N 2.93Å; K75-S77 PolarHBondContact O-N 3.1Å; K75-E78 PolarHBondContact O-N 3.21Å; K75-G79 PolarHBondContact O-N 3.38Å
76	L	72.3	Confident	85.7	Confident	64 Å²	64	65.3 Å²	65.3	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-48.9	-34.3	177.7	-157	93.2	0	0	0	114.2	E78 G79 K80 N164 E165 Y167	L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 3.01Å; L76-G79 PolarHBondContact O-N 3.29Å; L76-K80 WeakPolarHBondContact O-CG 3.36Å; L76-K80 PolarHBondContact O-N 2.87Å; L76-N164 WeakPolarHBondContact CD1-O 3.34Å; L76-E165 PolarHBondContact N-O 3.44Å; L76-Y167 HydrophobicContact CD1-CE2 3.66Å; L76-Y167 VanDerWaalsContact CD1-OH 3.28Å; L76-Y167 WeakPolarHBondContact CD1-OH 3.45Å; L76-Y167 HydrophobicContact CG-CE2 4.24Å
77	S	71.3	Confident	85.5	Confident	93 Å²	93	67.7 Å²	67.7	65%	0.65	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-36.3	177.3	51.7	0	0	0	0	113.2	K75	K75-S77 PolarHBondContact O-N 3.1Å
78	E	70.9	Confident	85.4	Confident	98 Å²	98	65.6 Å²	65.6	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-82.9	-35.7	176.2	-64.5	175.6	-163.7	0	0	110.4	K75 L76 K80 G81	K75-E78 PolarHBondContact O-N 3.21Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 3.01Å; E78-K80 VanDerWaalsContact C-N 3.34Å; E78-K80 PolarHBondContact O-N 3.3Å; E78-G81 PolarHBondContact O-N 3.05Å
79	G	63.9	Low	85.3	Confident	2 Å²	2	66.9 Å²	66.9	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-25.2	179	0	0	0	0	0	115.6	K75 L76 G81 L82 K158	K75-G79 PolarHBondContact O-N 3.38Å; L76-G79 PolarHBondContact O-N 3.29Å; G79-G81 PolarHBondContact O-N 3.01Å; G79-L82 WeakPolarHBondContact O-CB 3.33Å; G79-L82 PolarHBondContact O-N 3.43Å; G79-K158 PolarHBondContact O-NZ 3.33Å
80	K	62.2	Low	85.2	Confident	151 Å²	151	71.2 Å²	71.2	66%	0.657	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28	173.1	-83.2	-175.4	179.9	-175.8	0	112.8	L76 E78 L82	L76-K80 WeakPolarHBondContact O-CG 3.36Å; L76-K80 PolarHBondContact O-N 2.87Å; E78-K80 VanDerWaalsContact C-N 3.34Å; E78-K80 PolarHBondContact O-N 3.3Å; K80-L82 PolarHBondContact O-N 3.42Å
81	G	71	Confident	85	Confident	50 Å²	50	72.8 Å²	72.8	52%	0.515	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.7	172.1	0	0	0	0	0	113.5	E78 G79 D87	E78-G81 PolarHBondContact O-N 3.05Å; G79-G81 PolarHBondContact O-N 3.01Å; G81-D87 VanDerWaalsContact O-CB 3.24Å; G81-D87 WeakPolarHBondContact O-CB 3.46Å
82	L	80.5	Confident	85	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.037	37%	0.373	C	S	.	.			trans	-105.3	44.7	-175.3	-54.9	177.4	0	0	0	111.7	L74 G79 K80 D87 Y91 K158 L169	L74-L82 HydrophobicContact CD1-CD1 4.34Å; G79-L82 WeakPolarHBondContact O-CB 3.33Å; G79-L82 PolarHBondContact O-N 3.43Å; K80-L82 PolarHBondContact O-N 3.42Å; L82-D87 HydrophobicContact CD2-CB 4.47Å; L82-Y91 HydrophobicContact CD1-CD2 4.48Å; L82-Y91 HydrophobicContact CD1-CG 4.37Å; L82-Y91 VanDerWaalsContact CD2-CB 3.45Å; L82-Y91 HydrophobicContact CD2-CD2 3.73Å; L82-Y91 HydrophobicContact CD2-CG 3.67Å; L82-K158 PolarHBondContact O-NZ 3.38Å; L82-L169 HydrophobicContact CD1-CD1 4.08Å; L82-L169 HydrophobicContact CD1-CD2 4.33Å
83	E	81.9	Confident	85.1	Confident	161 Å²	161	69 Å²	69	75%	0.752	36%	0.361	S	S	*	.			trans	-80.2	-36.8	-177.5	-166.8	169.5	-165.4	0	0	111.6	R140	E83-R140 PolarHBondContact O-NH1 2.95Å; E83-R140 PolarHBondContact O-NH2 3.16Å
84	G	90.3	Very high	85.3	Confident	17 Å²	17	65 Å²	65	18%	0.175	35%	0.349	C	S	.	.	S	Bend	trans	-92.5	159.9	179.2	0	0	0	0	0	114.7	L86 D87 L88 R140	G84-L86 VanDerWaalsContact C-N 3.28Å; G84-D87 VanDerWaalsContact CA-OD2 3.27Å; G84-D87 WeakPolarHBondContact CA-OD2 3.25Å; G84-D87 PolarHBondContact N-OD2 2.89Å; G84-L88 PolarHBondContact O-N 2.89Å; G84-R140 PolarHBondContact O-NH1 2.9Å
85	P	94.7	Very high	85.6	Confident	61 Å²	61	64.6 Å²	64.6	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-33.7	172.7	26.5	-32.8	0	0	0	111.2	L88 I89 V142	P85-L88 PolarHBondContact O-N 3.45Å; P85-I89 WeakPolarHBondContact O-CG1 3.5Å; P85-I89 PolarHBondContact O-N 3.24Å; P85-I89 VanDerWaalsContact O-N 3.14Å; P85-V142 HydrophobicContact CB-CG1 4.39Å; P85-V142 HydrophobicContact CB-CG2 3.83Å
86	L	94.9	Very high	86.1	Confident	130 Å²	130	58.3 Å²	58.3	68%	0.681	32%	0.32	S	S	*	.	H	α-helix	trans	-68.2	-38.4	176.8	-60	-179.3	0	0	0	111.9	G84 L88 I89 N90	G84-L86 VanDerWaalsContact C-N 3.28Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 PolarHBondContact O-N 3.03Å; L86-I89 PolarHBondContact O-N 3.49Å; L86-N90 WeakPolarHBondContact O-CB 3.24Å; L86-N90 PolarHBondContact O-N 2.9Å
87	D	93.8	Very high	87.2	Confident	73 Å²	73	62.1 Å²	62.1	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-39.2	177.4	-52.5	-43.8	0	0	0	111.2	G81 L82 G84 N90 Y91	G81-D87 VanDerWaalsContact O-CB 3.24Å; G81-D87 WeakPolarHBondContact O-CB 3.46Å; L82-D87 HydrophobicContact CD2-CB 4.47Å; G84-D87 VanDerWaalsContact CA-OD2 3.27Å; G84-D87 WeakPolarHBondContact CA-OD2 3.25Å; G84-D87 PolarHBondContact N-OD2 2.89Å; D87-N90 PolarHBondContact O-N 2.84Å; D87-Y91 VanDerWaalsContact O-CB 3.3Å; D87-Y91 WeakPolarHBondContact O-CB 3.18Å; D87-Y91 PolarHBondContact O-N 3.14Å
88	L	94.6	Very high	88.4	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-45.3	175.2	178.6	60	0	0	0	111.9	G84 P85 L86 Y91 I92 V142 A156 K158 L169	G84-L88 PolarHBondContact O-N 2.89Å; P85-L88 PolarHBondContact O-N 3.45Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 PolarHBondContact O-N 3.03Å; L88-Y91 PolarHBondContact O-N 3.47Å; L88-I92 HydrophobicContact CD1-CD1 4.1Å; L88-I92 HydrophobicContact CG-CD1 4.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.33Å; L88-I92 PolarHBondContact O-N 3.23Å; L88-I92 VanDerWaalsContact O-N 3.16Å; L88-V142 HydrophobicContact CD2-CB 4.38Å; L88-V142 HydrophobicContact CD2-CG2 3.87Å; L88-A156 HydrophobicContact CD2-CB 3.94Å; L88-A156 HydrophobicContact CG-CB 4.17Å; L88-K158 HydrophobicContact CD2-CB 4.34Å; L88-L169 HydrophobicContact CD1-CD1 3.78Å; L88-L169 HydrophobicContact CD1-CD2 3.53Å; L88-L169 HydrophobicContact CD1-CG 4.22Å
89	I	96.1	Very high	89.6	Confident	33 Å²	33	60.6 Å²	60.6	17%	0.169	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-53.5	176.2	-66.6	165.6	0	0	0	109.6	P85 L86 Y91 I92 D93 V142 Y144	P85-I89 WeakPolarHBondContact O-CG1 3.5Å; P85-I89 PolarHBondContact O-N 3.24Å; P85-I89 VanDerWaalsContact O-N 3.14Å; L86-I89 PolarHBondContact O-N 3.49Å; I89-Y91 VanDerWaalsContact C-N 3.27Å; I89-Y91 PolarHBondContact O-N 3.05Å; I89-I92 PolarHBondContact O-N 2.89Å; I89-D93 PolarHBondContact O-N 3.43Å; I89-V142 HydrophobicContact CD1-CG1 3.88Å; I89-V142 HydrophobicContact CG1-CG1 4.04Å; I89-Y144 HydrophobicContact CD1-CD1 4.41Å; I89-Y144 HydrophobicContact CD1-CD2 4.44Å; I89-Y144 HydrophobicContact CD1-CG 4Å; I89-Y144 HydrophobicContact CG1-CD1 3.93Å; I89-Y144 HydrophobicContact CG1-CD2 4.13Å; I89-Y144 HydrophobicContact CG1-CE1 4.29Å; I89-Y144 HydrophobicContact CG1-CE2 4.47Å; I89-Y144 HydrophobicContact CG1-CG 3.85Å; I89-Y144 HydrophobicContact CG2-CD2 3.8Å; I89-Y144 HydrophobicContact CG2-CE2 3.88Å; I89-Y144 HydrophobicContact CG2-CG 4.39Å
90	N	94.6	Very high	91.1	Very high	102 Å²	102	66.5 Å²	66.5	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-36.8	-178.8	-179.8	76.4	0	0	0	112.6	L86 D87 D93 V94	L86-N90 WeakPolarHBondContact O-CB 3.24Å; L86-N90 PolarHBondContact O-N 2.9Å; D87-N90 PolarHBondContact O-N 2.84Å; N90-D93 PolarHBondContact O-N 3.32Å; N90-V94 VanDerWaalsContact O-CG2 3.32Å; N90-V94 WeakPolarHBondContact O-CG2 3.41Å; N90-V94 PolarHBondContact O-N 3.41Å
91	Y	94.7	Very high	92.7	Very high	58 Å²	58	59.6 Å²	59.6	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.1	-170.3	-85.1	0	0	0	112.3	I71 L74 L82 D87 L88 I89 A95 L169	I71-Y91 HydrophobicContact CD1-CD1 4.35Å; I71-Y91 HydrophobicContact CD1-CE1 3.89Å; L74-Y91 HydrophobicContact CD1-CE1 4.05Å; L74-Y91 WeakPolarHBondContact CD2-OH 3.39Å; L82-Y91 HydrophobicContact CD1-CD2 4.48Å; L82-Y91 HydrophobicContact CD1-CG 4.37Å; L82-Y91 VanDerWaalsContact CD2-CB 3.45Å; L82-Y91 HydrophobicContact CD2-CD2 3.73Å; L82-Y91 HydrophobicContact CD2-CG 3.67Å; D87-Y91 VanDerWaalsContact O-CB 3.3Å; D87-Y91 WeakPolarHBondContact O-CB 3.18Å; D87-Y91 PolarHBondContact O-N 3.14Å; L88-Y91 PolarHBondContact O-N 3.47Å; I89-Y91 VanDerWaalsContact C-N 3.27Å; I89-Y91 PolarHBondContact O-N 3.05Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.14Å; Y91-L169 HydrophobicContact CD1-CD1 3.56Å; Y91-L169 HydrophobicContact CE1-CD1 3.85Å
92	I	96.1	Very high	93.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67.4	-42.6	176	-67.8	164.1	0	0	0	110.5	L88 I89 V94 A95 Q96 L101 Y144 A156 V171	L88-I92 HydrophobicContact CD1-CD1 4.1Å; L88-I92 HydrophobicContact CG-CD1 4.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.33Å; L88-I92 PolarHBondContact O-N 3.23Å; L88-I92 VanDerWaalsContact O-N 3.16Å; I89-I92 PolarHBondContact O-N 2.89Å; I92-V94 VanDerWaalsContact C-N 3.34Å; I92-V94 PolarHBondContact O-N 3.13Å; I92-A95 CarbonylContact O-C 3.58Å; I92-A95 WeakPolarHBondContact O-CB 3.35Å; I92-A95 PolarHBondContact O-N 3.27Å; I92-A95 VanDerWaalsContact O-N 3.1Å; I92-Q96 HydrophobicContact CG2-CG 4.5Å; I92-Q96 WeakPolarHBondContact O-CG 3.35Å; I92-Q96 PolarHBondContact O-N 2.95Å; I92-L101 HydrophobicContact CG2-CD1 4.06Å; I92-Y144 WeakPolarHBondContact CG2-OH 3.46Å; I92-A156 HydrophobicContact CD1-CB 3.31Å; I92-V171 HydrophobicContact CD1-CG2 3.74Å; I92-V171 HydrophobicContact CG1-CG2 4.12Å; I92-V171 HydrophobicContact CG2-CG2 4.13Å
93	D	95.6	Very high	94.6	Very high	53 Å²	53	64 Å²	64	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-46.5	176.8	-66.1	-14.5	0	0	0	111.2	I89 N90 A95 Q96 Q97	I89-D93 PolarHBondContact O-N 3.43Å; N90-D93 PolarHBondContact O-N 3.32Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.49Å; D93-Q96 PolarHBondContact O-N 2.82Å; D93-Q97 WeakPolarHBondContact O-CG 3.3Å; D93-Q97 PolarHBondContact O-N 2.89Å
94	V	95.1	Very high	95.3	Very high	58 Å²	58	61.2 Å²	61.2	35%	0.352	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-40.9	175.1	173.4	0	0	0	0	110.9	N90 I92 Q96 Q97 D98	N90-V94 VanDerWaalsContact O-CG2 3.32Å; N90-V94 WeakPolarHBondContact O-CG2 3.41Å; N90-V94 PolarHBondContact O-N 3.41Å; I92-V94 VanDerWaalsContact C-N 3.34Å; I92-V94 PolarHBondContact O-N 3.13Å; V94-Q96 VanDerWaalsContact C-N 3.29Å; V94-Q96 PolarHBondContact O-N 3.27Å; V94-Q97 PolarHBondContact O-N 3.44Å; V94-D98 WeakPolarHBondContact O-CB 3.4Å; V94-D98 PolarHBondContact O-N 2.79Å
95	A	96	Very high	95.5	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-32.3	177.3	0	0	0	0	0	113.1	I71 Y91 I92 D93 G99 K100 L101	I71-A95 HydrophobicContact CD1-CB 3.45Å; I71-A95 VanDerWaalsContact CD1-CB 3.45Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.14Å; I92-A95 CarbonylContact O-C 3.58Å; I92-A95 WeakPolarHBondContact O-CB 3.35Å; I92-A95 PolarHBondContact O-N 3.27Å; I92-A95 VanDerWaalsContact O-N 3.1Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.49Å; A95-G99 PolarHBondContact O-N 3.23Å; A95-K100 HydrophobicContact CB-CB 4.27Å; A95-K100 HydrophobicContact CB-CD 4.42Å; A95-K100 WeakPolarHBondContact O-CB 3.38Å; A95-K100 PolarHBondContact O-N 3.04Å; A95-L101 HydrophobicContact CB-CD1 4.35Å; A95-L101 PolarHBondContact O-N 3.45Å
96	Q	96.5	Very high	95.6	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-71	-40.9	172.5	-71.3	178.8	-44.1	0	0	111.8	I92 D93 V94 D98 G99 L101 P102 F103	I92-Q96 HydrophobicContact CG2-CG 4.5Å; I92-Q96 WeakPolarHBondContact O-CG 3.35Å; I92-Q96 PolarHBondContact O-N 2.95Å; D93-Q96 PolarHBondContact O-N 2.82Å; V94-Q96 VanDerWaalsContact C-N 3.29Å; V94-Q96 PolarHBondContact O-N 3.27Å; Q96-D98 VanDerWaalsContact C-N 3.31Å; Q96-D98 PolarHBondContact O-N 3.37Å; Q96-G99 PolarHBondContact O-N 3.42Å; Q96-L101 WeakPolarHBondContact CA-O 3.42Å; Q96-L101 HydrophobicContact CG-CB 3.79Å; Q96-P102 PolarHBondContact NE2-O 3.31Å; Q96-F103 HydrophobicContact CB-CD1 3.97Å; Q96-F103 HydrophobicContact CB-CE1 3.62Å; Q96-F103 HydrophobicContact CB-CE2 4.19Å; Q96-F103 HydrophobicContact CB-CG 4.41Å; Q96-F103 HydrophobicContact CB-CZ 3.74Å; Q96-F103 WeakPolarHBondContact O-CE2 3.43Å
97	Q	96.1	Very high	95.6	Very high	143 Å²	143	62 Å²	62	67%	0.668	34%	0.336	S	S	*	.	H	α-helix	trans	-62.5	-38	174.1	-68.9	172.8	22.4	0	0	112.3	D93 V94 G99 F103	D93-Q97 WeakPolarHBondContact O-CG 3.3Å; D93-Q97 PolarHBondContact O-N 2.89Å; V94-Q97 PolarHBondContact O-N 3.44Å; Q97-G99 PolarHBondContact O-N 2.95Å; Q97-F103 HydrophobicContact CG-CZ 4.26Å
98	D	96.4	Very high	95.7	Very high	97 Å²	97	64 Å²	64	52%	0.519	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.5	174.5	-76.6	-8.3	0	0	0	113.4	V94 Q96 K100	V94-D98 WeakPolarHBondContact O-CB 3.4Å; V94-D98 PolarHBondContact O-N 2.79Å; Q96-D98 VanDerWaalsContact C-N 3.31Å; Q96-D98 PolarHBondContact O-N 3.37Å; D98-K100 VanDerWaalsContact C-N 3.31Å; D98-K100 HydrophobicContact CB-CD 4.25Å; D98-K100 HydrophobicContact CB-CG 4.16Å; D98-K100 PolarHBondContact O-N 2.79Å; D98-K100 IonicContact OD2-NZ 3.51Å; D98-K100 PolarHBondContact OD2-NZ 3.48Å
99	G	95.5	Very high	95.8	Very high	63 Å²	63	66.8 Å²	66.8	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	15.4	-176.5	0	0	0	0	0	114.8	A95 Q96 Q97	A95-G99 PolarHBondContact O-N 3.23Å; Q96-G99 PolarHBondContact O-N 3.42Å; Q97-G99 PolarHBondContact O-N 2.95Å
100	K	95.6	Very high	95.9	Very high	125 Å²	125	66.1 Å²	66.1	54%	0.543	35%	0.352	S	S	.	.	S	Bend	trans	-75.5	-29.5	173.9	-64	170.1	-177.5	143.6	0	112	A95 D98	A95-K100 HydrophobicContact CB-CB 4.27Å; A95-K100 HydrophobicContact CB-CD 4.42Å; A95-K100 WeakPolarHBondContact O-CB 3.38Å; A95-K100 PolarHBondContact O-N 3.04Å; D98-K100 VanDerWaalsContact C-N 3.31Å; D98-K100 HydrophobicContact CB-CD 4.25Å; D98-K100 HydrophobicContact CB-CG 4.16Å; D98-K100 PolarHBondContact O-N 2.79Å; D98-K100 IonicContact OD2-NZ 3.51Å; D98-K100 PolarHBondContact OD2-NZ 3.48Å
101	L	96.9	Very high	96	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	33%	0.328	C	S	.	.	S	Bend	trans	-125.6	143.5	172.8	-71.1	173.8	0	0	0	109.4	I71 I92 A95 Q96 V171	I71-L101 HydrophobicContact CD1-CD1 3.84Å; I71-L101 HydrophobicContact CD1-CG 4.23Å; I71-L101 HydrophobicContact CG1-CD1 4.06Å; I71-L101 HydrophobicContact CG1-CD2 4.41Å; I71-L101 HydrophobicContact CG1-CG 4.13Å; I92-L101 HydrophobicContact CG2-CD1 4.06Å; A95-L101 HydrophobicContact CB-CD1 4.35Å; A95-L101 PolarHBondContact O-N 3.45Å; Q96-L101 WeakPolarHBondContact CA-O 3.42Å; Q96-L101 HydrophobicContact CG-CB 3.79Å; L101-V171 HydrophobicContact CD1-CG2 3.97Å
102	P	96.9	Very high	96.2	Very high	58 Å²	58	59 Å²	59	38%	0.377	32%	0.318	S	S	.	.			trans	-72.3	150.2	172.9	31.1	-34	0	0	0	110.8	V68 Q96	V68-P102 HydrophobicContact CG1-CG 4.09Å; V68-P102 WeakPolarHBondContact CG1-O 3.29Å; V68-P102 VanDerWaalsContact O-CD 3.24Å; V68-P102 WeakPolarHBondContact O-CD 3.44Å; V68-P102 WeakPolarHBondContact O-CG 3.47Å; Q96-P102 PolarHBondContact NE2-O 3.31Å
103	F	95.2	Very high	96.2	Very high	93 Å²	93	59.2 Å²	59.2	41%	0.408	32%	0.32	S	S	.	.	S	Bend	trans	-70.1	-34.9	169.6	-75.5	-78.1	0	0	0	112.1	Q96 Q97 L148	Q96-F103 HydrophobicContact CB-CD1 3.97Å; Q96-F103 HydrophobicContact CB-CE1 3.62Å; Q96-F103 HydrophobicContact CB-CE2 4.19Å; Q96-F103 HydrophobicContact CB-CG 4.41Å; Q96-F103 HydrophobicContact CB-CZ 3.74Å; Q96-F103 WeakPolarHBondContact O-CE2 3.43Å; Q97-F103 HydrophobicContact CG-CZ 4.26Å; F103-L148 HydrophobicContact CB-CD1 4.08Å; F103-L148 HydrophobicContact CD1-CD1 4.21Å; F103-L148 HydrophobicContact CD1-CD2 4.12Å
104	V	94.8	Very high	96.3	Very high	101 Å²	101	56.7 Å²	56.7	61%	0.612	31%	0.306	S	S	*	.	S	Bend	trans	-120	121.5	-178.6	-177.4	0	0	0	0	108.4
105	P	96.4	Very high	96.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.032	30%	0.296	C	S	.	.			trans	-66.7	160.5	177.2	28.2	-34.5	0	0	0	111.5	K66 Y67 V68 Q173	K66-P105 HydrophobicContact CB-CB 4.04Å; K66-P105 HydrophobicContact CB-CG 3.92Å; K66-P105 HydrophobicContact CD-CG 4.18Å; Y67-P105 WeakPolarHBondContact O-CB 3.35Å; V68-P105 HydrophobicContact CB-CB 4.49Å; V68-P105 HydrophobicContact CG2-CB 3.96Å; V68-P105 HydrophobicContact CG2-CG 4.18Å; P105-Q173 HydrophobicContact CG-CB 4.01Å; P105-Q173 HydrophobicContact CG-CG 4.49Å; P105-Q173 VanDerWaalsContact CG-OE1 3.3Å
106	P	96.2	Very high	96.2	Very high	80 Å²	80	58 Å²	58	52%	0.519	31%	0.309	S	S	.	.			trans	-55	157.4	166.5	-22.8	34.5	0	0	0	112.4	Y67 E108	Y67-P106 WeakPolarHBondContact O-CD 3.43Å; P106-E108 PolarHBondContact O-N 2.85Å
107	E	94.9	Very high	96.1	Very high	141 Å²	141	65.1 Å²	65.1	66%	0.659	34%	0.337	S	S	*	.	S	Bend	trans	-71.8	-12.4	179.4	-72	-57.4	112.1	0	0	113.9	K66 E109	K66-E107 IonicContact NZ-OE1 2.81Å; K66-E107 PolarHBondContact NZ-OE1 3.31Å; K66-E107 IonicContact NZ-OE2 2.83Å; K66-E107 PolarHBondContact NZ-OE2 2.87Å; E107-E109 PolarHBondContact O-N 3.45Å
108	E	95.4	Very high	96.1	Very high	113 Å²	113	58.5 Å²	58.5	53%	0.528	31%	0.307	S	S	.	.			trans	-64	131	178.4	-172.8	175.4	-169.6	0	0	112.2	P106 F110	P106-E108 PolarHBondContact O-N 2.85Å; E108-F110 HydrophobicContact CB-CE2 4.35Å; E108-F110 HydrophobicContact CG-CE2 4.09Å; E108-F110 HydrophobicContact CG-CZ 3.94Å
109	E	96.8	Very high	96.2	Very high	62 Å²	62	54.1 Å²	54.1	29%	0.29	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143.1	176.4	-66.1	-169.9	166.2	0	0	112	R64 I65 E107	R64-E109 IonicContact NH1-OE2 2.65Å; I65-E109 WeakPolarHBondContact O-CA 3.39Å; E107-E109 PolarHBondContact O-N 3.45Å
110	F	97.9	Very high	96.3	Very high	19 Å²	19	54.9 Å²	54.9	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.8	174.3	-59.5	-88.5	0	0	0	110.3	R64 I65 E108 V121 S122 T123 L130	R64-F110 WeakPolarHBondContact CA-O 3.24Å; I65-F110 HydrophobicContact CD1-CB 3.96Å; I65-F110 PolarHBondContact N-O 3.36Å; I65-F110 PolarHBondContact O-N 3.03Å; E108-F110 HydrophobicContact CB-CE2 4.35Å; E108-F110 HydrophobicContact CG-CE2 4.09Å; E108-F110 HydrophobicContact CG-CZ 3.94Å; F110-V121 HydrophobicContact CB-CG1 3.8Å; F110-V121 HydrophobicContact CG-CG1 4.33Å; F110-S122 CarbonylContact C-O 3.6Å; F110-S122 WeakPolarHBondContact CA-O 3.5Å; F110-S122 WeakPolarHBondContact CB-O 3.27Å; F110-T123 HydrophobicContact CE1-CG2 4.46Å; F110-L130 HydrophobicContact CD1-CD2 4.42Å; F110-L130 HydrophobicContact CE1-CD2 4.19Å
111	I	97.5	Very high	96.4	Very high	10 Å²	10	49 Å²	49	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.5	173.5	-64.3	169.9	0	0	0	108.4	E62 F63 V121 S122 S124 Q126	E62-I111 HydrophobicContact CB-CG2 4.11Å; E62-I111 HydrophobicContact CG-CG2 4.33Å; F63-I111 WeakPolarHBondContact O-CA 3.36Å; I111-V121 CarbonylContact O-C 3.51Å; I111-V121 WeakPolarHBondContact O-CA 3.39Å; I111-S122 PolarHBondContact N-O 2.89Å; I111-S122 PolarHBondContact O-N 3.43Å; I111-S124 WeakPolarHBondContact CD1-O 3.35Å; I111-Q126 HydrophobicContact CD1-CG 3.69Å
112	M	97.8	Very high	96.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.2	171.4	-179.9	178.1	-74.9	0	0	109.8	E62 F63 I65 V114 I119 K120 V121 Y172 I183	E62-M112 CarbonylContact C-O 3.57Å; E62-M112 WeakPolarHBondContact CA-O 3.38Å; F63-M112 PolarHBondContact N-O 3.5Å; F63-M112 PolarHBondContact O-N 3.06Å; I65-M112 HydrophobicContact CD1-CE 4.43Å; I65-M112 HydrophobicContact CG1-CB 3.73Å; I65-M112 HydrophobicContact CG1-CE 4.18Å; M112-V114 HydrophobicContact CG-CG2 4.19Å; M112-V114 HydrophobicContact SD-CG2 4.49Å; M112-I119 HydrophobicContact CE-CG2 4.12Å; M112-I119 HydrophobicContact CG-CG2 3.61Å; M112-I119 HydrophobicContact SD-CG2 3.95Å; M112-K120 CarbonylContact C-O 3.53Å; M112-K120 WeakPolarHBondContact CA-O 3.27Å; M112-V121 HydrophobicContact CE-CG2 4.01Å; M112-V121 HydrophobicContact CG-CG2 4.42Å; M112-Y172 HydrophobicContact CE-CD1 3.89Å; M112-Y172 HydrophobicContact CE-CD2 3.47Å; M112-Y172 VanDerWaalsContact CE-CD2 3.47Å; M112-Y172 HydrophobicContact CE-CE1 4.14Å; M112-Y172 HydrophobicContact CE-CE2 3.73Å; M112-Y172 HydrophobicContact CE-CG 3.56Å; M112-I183 HydrophobicContact SD-CD1 4.28Å; M112-I183 HydrophobicContact SD-CG2 4.16Å
113	G	96.8	Very high	96.4	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.1	170.4	0	0	0	0	0	111.1	A61 I119 K120	A61-G113 CarbonylContact O-C 3.52Å; A61-G113 WeakPolarHBondContact O-CA 3.42Å; G113-I119 CarbonylContact O-C 3.59Å; G113-I119 WeakPolarHBondContact O-CA 3.15Å; G113-K120 PolarHBondContact N-O 2.89Å; G113-K120 PolarHBondContact O-N 3.29Å
114	V	97.3	Very high	96.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.2	177.1	-169.6	0	0	0	0	108.6	C60 A61 F63 M112 I119 I183 V186 L187	C60-V114 WeakPolarHBondContact CA-O 3.37Å; A61-V114 PolarHBondContact N-O 2.97Å; A61-V114 PolarHBondContact O-N 3.45Å; F63-V114 HydrophobicContact CD2-CG2 4.19Å; F63-V114 HydrophobicContact CE2-CG2 4.09Å; M112-V114 HydrophobicContact CG-CG2 4.19Å; M112-V114 HydrophobicContact SD-CG2 4.49Å; V114-I119 HydrophobicContact CG1-CG1 4.45Å; V114-I183 HydrophobicContact CG2-CG2 4.1Å; V114-V186 HydrophobicContact CB-CB 4.43Å; V114-V186 HydrophobicContact CB-CG1 3.92Å; V114-V186 HydrophobicContact CG1-CB 4.15Å; V114-V186 HydrophobicContact CG1-CG1 3.73Å; V114-L187 HydrophobicContact CG1-CB 4.1Å; V114-L187 HydrophobicContact CG1-CD1 4.31Å
115	S	95	Very high	96.1	Very high	20 Å²	20	45.1 Å²	45.1	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-179.9	-178.7	69.5	0	0	0	0	111.4	Y117 G118	S115-Y117 PolarHBondContact O-N 2.88Å; S115-Y117 PolarHBondContact OG-N 3.24Å; S115-G118 PolarHBondContact N-O 2.74Å; S115-G118 PolarHBondContact O-N 3.36Å
116	K	94.2	Very high	95.7	Very high	66 Å²	66	50.3 Å²	50.3	29%	0.287	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.7	172.1	74.2	-171.9	-173.4	-162.6	0	114.6	D58 L135	D58-K116 WeakPolarHBondContact OD1-CE 3.15Å; D58-K116 IonicContact OD1-NZ 2.7Å; D58-K116 PolarHBondContact OD1-NZ 3.47Å; K116-L135 WeakPolarHBondContact O-CD2 3.46Å
117	Y	95	Very high	95.3	Very high	160 Å²	160	55.7 Å²	55.7	63%	0.627	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.5	176.7	-60.4	-73.2	0	0	0	113.1	S115 L135	S115-Y117 PolarHBondContact O-N 2.88Å; S115-Y117 PolarHBondContact OG-N 3.24Å; Y117-L135 PolarHBondContact O-N 2.96Å
118	G	96.4	Very high	95.4	Very high	4 Å²	4	54 Å²	54	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.9	-146.7	-174	0	0	0	0	0	111.9	S115 H133	S115-G118 PolarHBondContact N-O 2.74Å; S115-G118 PolarHBondContact O-N 3.36Å; G118-H133 WeakPolarHBondContact CA-O 3.45Å
119	I	98	Very high	95.4	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.7	-176.3	-57	172.1	0	0	0	109.7	M112 G113 V114 V121 H133 I138 M141 L157 L187	M112-I119 HydrophobicContact CE-CG2 4.12Å; M112-I119 HydrophobicContact CG-CG2 3.61Å; M112-I119 HydrophobicContact SD-CG2 3.95Å; G113-I119 CarbonylContact O-C 3.59Å; G113-I119 WeakPolarHBondContact O-CA 3.15Å; V114-I119 HydrophobicContact CG1-CG1 4.45Å; I119-V121 HydrophobicContact CG2-CG2 4.26Å; I119-H133 HydrophobicContact CB-CB 4.23Å; I119-H133 PolarHBondContact N-O 2.79Å; I119-H133 PolarHBondContact O-N 2.88Å; I119-I138 HydrophobicContact CD1-CD1 3.95Å; I119-I138 HydrophobicContact CG1-CD1 4.02Å; I119-M141 HydrophobicContact CD1-SD 4.11Å; I119-L157 HydrophobicContact CD1-CD1 3.96Å; I119-L157 HydrophobicContact CD1-CD2 4.05Å; I119-L187 HydrophobicContact CD1-CD1 4.36Å; I119-L187 HydrophobicContact CD1-CD2 4.24Å; I119-L187 HydrophobicContact CG1-CD1 4.26Å
120	K	97.7	Very high	95.3	Very high	80 Å²	80	51.9 Å²	51.9	35%	0.348	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.3	173.1	-177.6	-174	67.2	172.6	0	108.7	M112 G113 V129 R132	M112-K120 CarbonylContact C-O 3.53Å; M112-K120 WeakPolarHBondContact CA-O 3.27Å; G113-K120 PolarHBondContact N-O 2.89Å; G113-K120 PolarHBondContact O-N 3.29Å; K120-V129 HydrophobicContact CD-CG2 4.46Å; K120-V129 HydrophobicContact CG-CG1 3.93Å; K120-R132 HydrophobicContact CG-CG 4.46Å
121	V	97.8	Very high	95.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	174	-175	0	0	0	0	108.8	I65 F110 I111 M112 I119 L130 H131 Y172	I65-V121 HydrophobicContact CD1-CG1 4.49Å; F110-V121 HydrophobicContact CB-CG1 3.8Å; F110-V121 HydrophobicContact CG-CG1 4.33Å; I111-V121 CarbonylContact O-C 3.51Å; I111-V121 WeakPolarHBondContact O-CA 3.39Å; M112-V121 HydrophobicContact CE-CG2 4.01Å; M112-V121 HydrophobicContact CG-CG2 4.42Å; I119-V121 HydrophobicContact CG2-CG2 4.26Å; V121-L130 PolarHBondContact O-N 2.88Å; V121-H131 HydrophobicContact CB-CB 4.29Å; V121-H131 PolarHBondContact N-O 2.81Å; V121-H131 PolarHBondContact O-N 3.39Å; V121-H131 VanDerWaalsContact O-N 3.15Å; V121-Y172 HydrophobicContact CG1-CE1 4.44Å; V121-Y172 HydrophobicContact CG2-CE1 4.02Å
122	S	97.4	Very high	95.3	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.028	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.6	179.5	56.6	0	0	0	0	111.9	F110 I111 D128	F110-S122 CarbonylContact C-O 3.6Å; F110-S122 WeakPolarHBondContact CA-O 3.5Å; F110-S122 WeakPolarHBondContact CB-O 3.27Å; I111-S122 PolarHBondContact N-O 2.89Å; I111-S122 PolarHBondContact O-N 3.43Å; S122-D128 CarbonylContact C-O 3.58Å; S122-D128 WeakPolarHBondContact CA-O 3.37Å; S122-D128 VanDerWaalsContact CB-O 3.22Å; S122-D128 WeakPolarHBondContact CB-O 3.36Å
123	T	96.2	Very high	95.3	Very high	22 Å²	22	61 Å²	61	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	157	169.3	52.1	0	0	0	0	111	F110 D125 Q126 D128	F110-T123 HydrophobicContact CE1-CG2 4.46Å; T123-D125 WeakPolarHBondContact CB-OD1 3.36Å; T123-D125 PolarHBondContact O-N 2.89Å; T123-D125 PolarHBondContact OG1-OD1 2.93Å; T123-Q126 WeakPolarHBondContact O-CA 3.37Å; T123-Q126 PolarHBondContact O-N 2.94Å; T123-D128 HydrophobicContact CG2-CB 3.86Å; T123-D128 PolarHBondContact N-O 3.28Å; T123-D128 PolarHBondContact OG1-N 2.82Å; T123-D128 VanDerWaalsContact OG1-N 3.1Å; T123-D128 PolarHBondContact OG1-O 3.03Å
124	S	92.7	Very high	95.3	Very high	61 Å²	61	62.2 Å²	62.2	43%	0.427	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.5	-176.6	56.8	0	0	0	0	114.1	I111 Q126	I111-S124 WeakPolarHBondContact CD1-O 3.35Å; S124-Q126 VanDerWaalsContact C-N 3.3Å
125	D	91.8	Very high	95.2	Very high	90 Å²	90	62.9 Å²	62.9	48%	0.481	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.1	172.6	60.9	10.1	0	0	0	113.7	T123 Y127	T123-D125 WeakPolarHBondContact CB-OD1 3.36Å; T123-D125 PolarHBondContact O-N 2.89Å; T123-D125 PolarHBondContact OG1-OD1 2.93Å; D125-Y127 HydrophobicContact CB-CD2 3.73Å; D125-Y127 HydrophobicContact CB-CE2 4.16Å; D125-Y127 VanDerWaalsContact CG-CD2 3.45Å; D125-Y127 PolarHBondContact O-N 2.84Å; D125-Y127 PolarHBondContact OD1-N 3.01Å; D125-Y127 VanDerWaalsContact OD1-N 3.16Å
126	Q	86.2	Confident	95.2	Very high	114 Å²	114	70.3 Å²	70.3	53%	0.533	33%	0.326	S	S	.	.	S	Bend	trans	61.3	14.1	-179.8	-53.1	-176.3	19.3	0	0	115.5	I111 T123 S124	I111-Q126 HydrophobicContact CD1-CG 3.69Å; T123-Q126 WeakPolarHBondContact O-CA 3.37Å; T123-Q126 PolarHBondContact O-N 2.94Å; S124-Q126 VanDerWaalsContact C-N 3.3Å
127	Y	88.9	Confident	95.4	Very high	193 Å²	193	68.8 Å²	68.8	76%	0.757	32%	0.321	S	S	*	.	S	Bend	trans	-76.4	-42.4	177.5	-75.4	-66.8	0	0	0	112.3	D125	D125-Y127 HydrophobicContact CB-CD2 3.73Å; D125-Y127 HydrophobicContact CB-CE2 4.16Å; D125-Y127 VanDerWaalsContact CG-CD2 3.45Å; D125-Y127 PolarHBondContact O-N 2.84Å; D125-Y127 PolarHBondContact OD1-N 3.01Å; D125-Y127 VanDerWaalsContact OD1-N 3.16Å
128	D	95.7	Very high	95.5	Very high	107 Å²	107	61.7 Å²	61.7	57%	0.572	29%	0.294	S	S	*	.			trans	-112.2	131.8	-174.4	-67.7	-40.6	0	0	0	111.7	S122 T123	S122-D128 CarbonylContact C-O 3.58Å; S122-D128 WeakPolarHBondContact CA-O 3.37Å; S122-D128 VanDerWaalsContact CB-O 3.22Å; S122-D128 WeakPolarHBondContact CB-O 3.36Å; T123-D128 HydrophobicContact CG2-CB 3.86Å; T123-D128 PolarHBondContact N-O 3.28Å; T123-D128 PolarHBondContact OG1-N 2.82Å; T123-D128 VanDerWaalsContact OG1-N 3.1Å; T123-D128 PolarHBondContact OG1-O 3.03Å
129	V	96.5	Very high	95.4	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.309	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.3	172.8	-178.3	0	0	0	0	108.9	K120 R132	K120-V129 HydrophobicContact CD-CG2 4.46Å; K120-V129 HydrophobicContact CG-CG1 3.93Å; V129-R132 HydrophobicContact CG1-CG 3.83Å
130	L	95	Very high	95.3	Very high	78 Å²	78	69.1 Å²	69.1	41%	0.408	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-50.1	-179.6	-172.5	67.3	0	0	0	111.1	Y67 F110 V121	Y67-L130 HydrophobicContact CD1-CD2 4.28Å; Y67-L130 HydrophobicContact CE1-CD2 4.45Å; F110-L130 HydrophobicContact CD1-CD2 4.42Å; F110-L130 HydrophobicContact CE1-CD2 4.19Å; V121-L130 PolarHBondContact O-N 2.88Å
131	H	96.2	Very high	95.2	Very high	30 Å²	30	66.8 Å²	66.8	14%	0.139	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.7	-176.3	-56.9	-53.7	0	0	0	112.6	Y67 V121 W170	Y67-H131 AromaticContact CZ-NE2 3.71Å; V121-H131 HydrophobicContact CB-CB 4.29Å; V121-H131 PolarHBondContact N-O 2.81Å; V121-H131 PolarHBondContact O-N 3.39Å; V121-H131 VanDerWaalsContact O-N 3.15Å; H131-W170 AromaticContact CE1-CE3 3.94Å; H131-W170 AromaticContact CE1-CZ3 3.28Å; H131-W170 WeakPolarHBondContact CE1-CZ3 3.33Å; H131-W170 AromaticContact ND1-CZ3 3.6Å; H131-W170 AromaticContact NE2-CE3 3.87Å; H131-W170 AromaticContact NE2-CZ3 3.67Å
132	R	97.6	Very high	95.2	Very high	181 Å²	181	67.5 Å²	67.5	68%	0.683	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	104.6	167.1	-70	-174.8	176.4	86.3	-4.5	108.7	K120 V129	K120-R132 HydrophobicContact CG-CG 4.46Å; V129-R132 HydrophobicContact CG1-CG 3.83Å
133	H	97.8	Very high	95.2	Very high	11 Å²	11	69.2 Å²	69.2	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	93.9	175.2	-53.2	-51.1	0	0	0	108.2	G118 I119 I138 L157 T159 W170 Y172	G118-H133 WeakPolarHBondContact CA-O 3.45Å; I119-H133 HydrophobicContact CB-CB 4.23Å; I119-H133 PolarHBondContact N-O 2.79Å; I119-H133 PolarHBondContact O-N 2.88Å; H133-I138 HydrophobicContact CB-CD1 4.14Å; H133-I138 HydrophobicContact CB-CG1 4.17Å; H133-L157 HydrophobicContact CB-CD2 3.91Å; H133-L157 WeakPolarHBondContact CD2-CD2 3.3Å; H133-T159 HydrophobicContact CB-CG2 4.31Å; H133-W170 AromaticContact CE1-CD1 3.71Å; H133-W170 AromaticContact CE1-CD2 3.37Å; H133-W170 AromaticContact CE1-CE2 3.31Å; H133-W170 AromaticContact CE1-CE3 3.91Å; H133-W170 AromaticContact CE1-CG 3.65Å; H133-W170 AromaticContact CE1-CZ2 3.83Å; H133-W170 AromaticContact CE1-NE1 3.48Å; H133-W170 PolarHBondContact CE1-NE1 2.98Å; H133-W170 AromaticContact ND1-CE2 3.99Å; H133-W170 AromaticContact ND1-NE1 3.84Å; H133-W170 AromaticContact NE2-CD2 3.85Å; H133-W170 AromaticContact NE2-CG 3.8Å; H133-Y172 PolarHBondContact NE2-OH 2.86Å
134	A	97.2	Very high	95.3	Very high	29 Å²	29	69.3 Å²	69.3	24%	0.24	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.5	-180	0	0	0	0	0	110.8	Y136 L137 I138	A134-Y136 HydrophobicContact CB-CD1 3.68Å; A134-Y136 HydrophobicContact CB-CE1 3.46Å; A134-Y136 VanDerWaalsContact CB-CE1 3.46Å; A134-Y136 PolarHBondContact O-N 3.4Å; A134-Y136 VanDerWaalsContact O-N 3.13Å; A134-L137 HydrophobicContact CB-CD1 4.41Å; A134-L137 PolarHBondContact O-N 3.29Å; A134-I138 PolarHBondContact O-N 2.79Å
135	L	96.2	Very high	95.4	Very high	14 Å²	14	70.7 Å²	70.7	7%	0.073	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-54.5	-39.4	-172.3	-167.3	69.4	0	0	0	112.9	K116 Y117 L137 I138 L187 A190 F191 V194	K116-L135 WeakPolarHBondContact O-CD2 3.46Å; Y117-L135 PolarHBondContact O-N 2.96Å; L135-L137 PolarHBondContact O-N 3.41Å; L135-I138 PolarHBondContact O-N 2.85Å; L135-L187 HydrophobicContact CD1-CD1 3.67Å; L135-A190 HydrophobicContact CD1-CB 4.35Å; L135-A190 HydrophobicContact CD2-CB 4.44Å; L135-F191 HydrophobicContact CD1-CD1 3.9Å; L135-F191 HydrophobicContact CD1-CD2 4.35Å; L135-F191 HydrophobicContact CD1-CE1 3.61Å; L135-F191 HydrophobicContact CD1-CE2 4.09Å; L135-F191 HydrophobicContact CD1-CG 4.27Å; L135-F191 HydrophobicContact CD1-CZ 3.72Å; L135-F191 HydrophobicContact CD2-CD1 4.18Å; L135-F191 HydrophobicContact CD2-CE1 4.44Å; L135-F191 HydrophobicContact CG-CD1 3.91Å; L135-F191 HydrophobicContact CG-CE1 3.68Å; L135-F191 HydrophobicContact CG-CZ 4.27Å; L135-V194 HydrophobicContact CD2-CB 4.41Å; L135-V194 HydrophobicContact CD2-CG2 3.77Å
136	Y	95.4	Very high	95.6	Very high	176 Å²	176	67.3 Å²	67.3	69%	0.69	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-70.2	-15.1	-179	78.6	-84.8	0	0	0	114.6	A134	A134-Y136 HydrophobicContact CB-CD1 3.68Å; A134-Y136 HydrophobicContact CB-CE1 3.46Å; A134-Y136 VanDerWaalsContact CB-CE1 3.46Å; A134-Y136 PolarHBondContact O-N 3.4Å; A134-Y136 VanDerWaalsContact O-N 3.13Å
137	L	96.9	Very high	95.9	Very high	34 Å²	34	65 Å²	65	18%	0.178	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-98.3	-9.1	177.3	-64.6	179.7	0	0	0	112.6	A134 L135 I139 T159 T160	A134-L137 HydrophobicContact CB-CD1 4.41Å; A134-L137 PolarHBondContact O-N 3.29Å; L135-L137 PolarHBondContact O-N 3.41Å; L137-I139 PolarHBondContact O-N 3.38Å; L137-T159 CarbonylContact O-C 3.58Å; L137-T159 VanDerWaalsContact O-CA 3.23Å; L137-T159 WeakPolarHBondContact O-CA 3.28Å; L137-T160 HydrophobicContact CD2-CG2 4.18Å; L137-T160 PolarHBondContact O-N 3.15Å
138	I	97.1	Very high	96	Very high	12 Å²	12	60 Å²	60	6%	0.062	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.4	177.9	-64.8	171.9	0	0	0	108.5	I119 H133 A134 L135 L157 T159 L187 F191	I119-I138 HydrophobicContact CD1-CD1 3.95Å; I119-I138 HydrophobicContact CG1-CD1 4.02Å; H133-I138 HydrophobicContact CB-CD1 4.14Å; H133-I138 HydrophobicContact CB-CG1 4.17Å; A134-I138 PolarHBondContact O-N 2.79Å; L135-I138 PolarHBondContact O-N 2.85Å; I138-L157 HydrophobicContact CD1-CD1 4.32Å; I138-L157 HydrophobicContact CG1-CD1 4.25Å; I138-L157 HydrophobicContact CG2-CD1 3.66Å; I138-T159 HydrophobicContact CG1-CG2 4.28Å; I138-L187 HydrophobicContact CD1-CD1 4.24Å; I138-F191 HydrophobicContact CB-CZ 4.05Å; I138-F191 HydrophobicContact CG2-CE2 4.42Å; I138-F191 HydrophobicContact CG2-CZ 3.92Å
139	I	94.7	Very high	95.9	Very high	77 Å²	77	58.6 Å²	58.6	40%	0.395	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-45.7	175.8	-57.1	-178.8	0	0	0	110.4	L137 K158 T160 Y167	L137-I139 PolarHBondContact O-N 3.38Å; I139-K158 HydrophobicContact CB-CD 4.33Å; I139-K158 HydrophobicContact CB-CG 4.31Å; I139-K158 HydrophobicContact CD1-CD 4.17Å; I139-K158 HydrophobicContact CD1-CG 4.18Å; I139-K158 HydrophobicContact CG2-CD 4.28Å; I139-K158 PolarHBondContact N-O 2.94Å; I139-T160 HydrophobicContact CG1-CG2 4.37Å; I139-Y167 HydrophobicContact CD1-CD1 3.45Å; I139-Y167 VanDerWaalsContact CD1-CD1 3.45Å; I139-Y167 HydrophobicContact CD1-CE1 3.31Å
140	R	95.1	Very high	95.6	Very high	87 Å²	87	59.6 Å²	59.6	33%	0.328	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	148.6	-174.3	173.2	174.5	-70.6	158	2	110.8	E83 G84 V142 K158	E83-R140 PolarHBondContact O-NH1 2.95Å; E83-R140 PolarHBondContact O-NH2 3.16Å; G84-R140 PolarHBondContact O-NH1 2.9Å; R140-V142 HydrophobicContact CG-CG2 3.79Å; R140-K158 PolarHBondContact N-O 3.45Å; R140-K158 PolarHBondContact O-N 3.28Å
141	M	97.3	Very high	95.5	Very high	32 Å²	32	58 Å²	58	16%	0.158	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.1	162.3	-170	166.6	70.9	0	0	109.5	I119 L155 A156 L157 I183 C184 L187	I119-M141 HydrophobicContact CD1-SD 4.11Å; M141-L155 HydrophobicContact CG-CD2 4.38Å; M141-L155 HydrophobicContact SD-CD1 4.5Å; M141-L155 HydrophobicContact SD-CD2 4.4Å; M141-A156 CarbonylContact C-O 3.52Å; M141-A156 VanDerWaalsContact CA-O 3.3Å; M141-A156 WeakPolarHBondContact CA-O 3.45Å; M141-L157 HydrophobicContact CB-CD1 3.9Å; M141-L157 HydrophobicContact CG-CD1 4.13Å; M141-L157 HydrophobicContact SD-CD1 4.21Å; M141-I183 HydrophobicContact CE-CG2 3.68Å; M141-I183 HydrophobicContact SD-CG2 4.14Å; M141-C184 VanDerWaalsContact CE-CA 3.49Å; M141-C184 HydrophobicContact CE-CB 4.14Å; M141-C184 VanDerWaalsContact CE-SG 3.59Å; M141-L187 HydrophobicContact CB-CD2 3.88Å; M141-L187 HydrophobicContact CE-CB 3.96Å; M141-L187 HydrophobicContact CE-CD2 3.42Å; M141-L187 VanDerWaalsContact CE-CD2 3.42Å; M141-L187 HydrophobicContact CE-CG 4.34Å; M141-L187 HydrophobicContact SD-CD2 3.83Å
142	V	97.3	Very high	95.4	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.7	176.9	-178.3	0	0	0	0	109.1	P85 L88 I89 R140 Y144 L155 A156	P85-V142 HydrophobicContact CB-CG1 4.39Å; P85-V142 HydrophobicContact CB-CG2 3.83Å; L88-V142 HydrophobicContact CD2-CB 4.38Å; L88-V142 HydrophobicContact CD2-CG2 3.87Å; I89-V142 HydrophobicContact CD1-CG1 3.88Å; I89-V142 HydrophobicContact CG1-CG1 4.04Å; R140-V142 HydrophobicContact CG-CG2 3.79Å; V142-Y144 HydrophobicContact CG1-CD1 4.31Å; V142-L155 WeakPolarHBondContact O-CA 3.35Å; V142-A156 PolarHBondContact N-O 3.43Å; V142-A156 PolarHBondContact O-N 3.16Å
143	C	97.4	Very high	95.4	Very high	40 Å²	40	51.9 Å²	51.9	27%	0.27	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.6	170	176.5	0	0	0	0	109	L154 L155 A180	C143-L154 WeakPolarHBondContact CA-O 3.43Å; C143-L155 HydrophobicContact CB-CD2 3.76Å; C143-A180 WeakPolarHBondContact SG-CB 3.19Å
144	Y	97.3	Very high	95.4	Very high	23 Å²	23	51.6 Å²	51.6	9%	0.09	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.4	179.2	67.1	-73.2	0	0	0	111.5	I89 I92 V142 S153 L154 A156	I89-Y144 HydrophobicContact CD1-CD1 4.41Å; I89-Y144 HydrophobicContact CD1-CD2 4.44Å; I89-Y144 HydrophobicContact CD1-CG 4Å; I89-Y144 HydrophobicContact CG1-CD1 3.93Å; I89-Y144 HydrophobicContact CG1-CD2 4.13Å; I89-Y144 HydrophobicContact CG1-CE1 4.29Å; I89-Y144 HydrophobicContact CG1-CE2 4.47Å; I89-Y144 HydrophobicContact CG1-CG 3.85Å; I89-Y144 HydrophobicContact CG2-CD2 3.8Å; I89-Y144 HydrophobicContact CG2-CE2 3.88Å; I89-Y144 HydrophobicContact CG2-CG 4.39Å; I92-Y144 WeakPolarHBondContact CG2-OH 3.46Å; V142-Y144 HydrophobicContact CG1-CD1 4.31Å; Y144-S153 WeakPolarHBondContact O-CA 3.44Å; Y144-L154 HydrophobicContact CD1-CB 4.24Å; Y144-L154 HydrophobicContact CE1-CB 3.75Å; Y144-L154 HydrophobicContact CE2-CB 4.35Å; Y144-L154 HydrophobicContact CE2-CD1 4.06Å; Y144-L154 PolarHBondContact N-O 3.35Å; Y144-L154 PolarHBondContact O-N 2.54Å; Y144-A156 HydrophobicContact CE1-CB 3.9Å
145	D	96.4	Very high	95.5	Very high	90 Å²	90	50.2 Å²	50.2	48%	0.481	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138.5	173.8	-169.6	-70.3	0	0	0	109.5	G147	D145-G147 PolarHBondContact O-N 3.23Å; D145-G147 PolarHBondContact OD1-N 3Å
146	D	94.2	Very high	95.6	Very high	20 Å²	20	49.6 Å²	49.6	11%	0.107	30%	0.296	C	S	.	.			trans	-66.3	-15.3	-179.1	73.2	-8	0	0	0	114.1	L148 K152 L154	D146-L148 HydrophobicContact CB-CG 4.29Å; D146-L148 PolarHBondContact O-N 3.38Å; D146-L148 PolarHBondContact OD1-N 3.07Å; D146-K152 PolarHBondContact N-O 2.95Å; D146-K152 WeakPolarHBondContact OD2-CB 3.48Å; D146-L154 HydrophobicContact CB-CD1 3.88Å; D146-L154 HydrophobicContact CB-CG 4.04Å
147	G	93.2	Very high	95.7	Very high	64 Å²	64	41.3 Å²	41.3	66%	0.66	26%	0.264	S	S	*	.	S	Bend	trans	69.9	8.7	179.1	0	0	0	0	0	114.2	D145 G149	D145-G147 PolarHBondContact O-N 3.23Å; D145-G147 PolarHBondContact OD1-N 3Å; G147-G149 VanDerWaalsContact C-N 3.32Å
148	L	92.2	Very high	95.7	Very high	90 Å²	90	40.4 Å²	40.4	47%	0.471	26%	0.258	S	S	.	.	S	Bend	trans	-90.8	3.4	-177.1	-57.5	-178.4	0	0	0	113	F103 D146 A150	F103-L148 HydrophobicContact CB-CD1 4.08Å; F103-L148 HydrophobicContact CD1-CD1 4.21Å; F103-L148 HydrophobicContact CD1-CD2 4.12Å; D146-L148 HydrophobicContact CB-CG 4.29Å; D146-L148 PolarHBondContact O-N 3.38Å; D146-L148 PolarHBondContact OD1-N 3.07Å; L148-A150 VanDerWaalsContact C-N 3.34Å; L148-A150 PolarHBondContact O-N 2.99Å
149	G	91.9	Very high	95.7	Very high	77 Å²	77	40.3 Å²	40.3	79%	0.794	26%	0.258	S	S	*	.	S	Bend	trans	87.8	-8.7	174.9	0	0	0	0	0	115.1	G147 G151	G147-G149 VanDerWaalsContact C-N 3.32Å; G149-G151 VanDerWaalsContact C-N 3.34Å
150	A	92.1	Very high	95.7	Very high	71 Å²	71	37.5 Å²	37.5	59%	0.587	25%	0.245	S	C	*	.	S	Bend	trans	-85.7	-6	174.7	0	0	0	0	0	113.5	L148 K152	L148-A150 VanDerWaalsContact C-N 3.34Å; L148-A150 PolarHBondContact O-N 2.99Å; A150-K152 VanDerWaalsContact C-N 3.34Å; A150-K152 HydrophobicContact CB-CG 4.09Å; A150-K152 PolarHBondContact O-N 3.3Å
151	G	91.2	Very high	95.7	Very high	44 Å²	44	35.4 Å²	35.4	45%	0.454	24%	0.24	S	C	.	.			trans	64.6	36.3	-179.4	0	0	0	0	0	112.6	G149	G149-G151 VanDerWaalsContact C-N 3.34Å
152	K	95.9	Very high	95.5	Very high	80 Å²	80	38 Å²	38	35%	0.348	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-81.5	140.3	176.9	-58.5	-59.7	-174.2	-178.6	0	109.2	D146 A150 Q173	D146-K152 PolarHBondContact N-O 2.95Å; D146-K152 WeakPolarHBondContact OD2-CB 3.48Å; A150-K152 VanDerWaalsContact C-N 3.34Å; A150-K152 HydrophobicContact CB-CG 4.09Å; A150-K152 PolarHBondContact O-N 3.3Å; K152-Q173 HydrophobicContact CB-CG 4.18Å
153	S	97.4	Very high	95.3	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.7	179.1	-54.1	0	0	0	0	110	Y144 C174 L177	Y144-S153 WeakPolarHBondContact O-CA 3.44Å; S153-C174 PolarHBondContact O-N 3.1Å; S153-L177 VanDerWaalsContact OG-CA 3.25Å; S153-L177 WeakPolarHBondContact OG-CA 3.36Å; S153-L177 PolarHBondContact OG-N 2.96Å
154	L	97.9	Very high	95	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.6	175.8	-61.9	-178.2	0	0	0	110.8	V68 C143 Y144 D146 V171 Y172 Q173	V68-L154 HydrophobicContact CG2-CD2 4.06Å; C143-L154 WeakPolarHBondContact CA-O 3.43Å; Y144-L154 HydrophobicContact CD1-CB 4.24Å; Y144-L154 HydrophobicContact CE1-CB 3.75Å; Y144-L154 HydrophobicContact CE2-CB 4.35Å; Y144-L154 HydrophobicContact CE2-CD1 4.06Å; Y144-L154 PolarHBondContact N-O 3.35Å; Y144-L154 PolarHBondContact O-N 2.54Å; D146-L154 HydrophobicContact CB-CD1 3.88Å; D146-L154 HydrophobicContact CB-CG 4.04Å; L154-V171 HydrophobicContact CD1-CG1 4.4Å; L154-Y172 CarbonylContact C-O 3.56Å; L154-Y172 VanDerWaalsContact CA-O 3.29Å; L154-Y172 WeakPolarHBondContact CA-O 3.28Å; L154-Q173 HydrophobicContact CD2-CB 3.7Å; L154-Q173 HydrophobicContact CD2-CG 3.93Å
155	L	98.2	Very high	94.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.8	167.9	-69.1	176.7	0	0	0	108.6	M141 V142 C143 V171 Y172 C174 A180 I183	M141-L155 HydrophobicContact CG-CD2 4.38Å; M141-L155 HydrophobicContact SD-CD1 4.5Å; M141-L155 HydrophobicContact SD-CD2 4.4Å; V142-L155 WeakPolarHBondContact O-CA 3.35Å; C143-L155 HydrophobicContact CB-CD2 3.76Å; L155-V171 WeakPolarHBondContact O-CA 3.4Å; L155-Y172 PolarHBondContact N-O 3.33Å; L155-Y172 PolarHBondContact O-N 2.89Å; L155-C174 WeakPolarHBondContact CD1-SG 3.23Å; L155-A180 HydrophobicContact CD2-CB 4.15Å; L155-A180 HydrophobicContact CG-CB 4.4Å; L155-I183 HydrophobicContact CD1-CB 4.04Å; L155-I183 HydrophobicContact CD1-CD1 3.68Å; L155-I183 HydrophobicContact CD1-CG1 4.45Å; L155-I183 HydrophobicContact CD1-CG2 3.61Å
156	A	97.9	Very high	94.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.8	171.2	0	0	0	0	0	109.9	L88 I92 M141 V142 Y144	L88-A156 HydrophobicContact CD2-CB 3.94Å; L88-A156 HydrophobicContact CG-CB 4.17Å; I92-A156 HydrophobicContact CD1-CB 3.31Å; M141-A156 CarbonylContact C-O 3.52Å; M141-A156 VanDerWaalsContact CA-O 3.3Å; M141-A156 WeakPolarHBondContact CA-O 3.45Å; V142-A156 PolarHBondContact N-O 3.43Å; V142-A156 PolarHBondContact O-N 3.16Å; Y144-A156 HydrophobicContact CE1-CB 3.9Å
157	L	98	Very high	94.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.8	178	-172.6	72	0	0	0	109.6	I119 H133 I138 M141 T159 L169 W170	I119-L157 HydrophobicContact CD1-CD1 3.96Å; I119-L157 HydrophobicContact CD1-CD2 4.05Å; H133-L157 HydrophobicContact CB-CD2 3.91Å; H133-L157 WeakPolarHBondContact CD2-CD2 3.3Å; I138-L157 HydrophobicContact CD1-CD1 4.32Å; I138-L157 HydrophobicContact CG1-CD1 4.25Å; I138-L157 HydrophobicContact CG2-CD1 3.66Å; M141-L157 HydrophobicContact CB-CD1 3.9Å; M141-L157 HydrophobicContact CG-CD1 4.13Å; M141-L157 HydrophobicContact SD-CD1 4.21Å; L157-T159 HydrophobicContact CD2-CG2 3.82Å; L157-T159 HydrophobicContact CG-CG2 3.89Å; L157-L169 CarbonylContact O-C 3.51Å; L157-L169 WeakPolarHBondContact O-CA 3.28Å; L157-W170 HydrophobicContact CB-CB 4.2Å; L157-W170 PolarHBondContact N-O 3.49Å; L157-W170 PolarHBondContact O-N 3.36Å
158	K	96.6	Very high	94.7	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.065	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.9	170.7	-174.7	-175.7	-174.3	-177.5	0	108.8	G79 L82 L88 I139 R140 L169	G79-K158 PolarHBondContact O-NZ 3.33Å; L82-K158 PolarHBondContact O-NZ 3.38Å; L88-K158 HydrophobicContact CD2-CB 4.34Å; I139-K158 HydrophobicContact CB-CD 4.33Å; I139-K158 HydrophobicContact CB-CG 4.31Å; I139-K158 HydrophobicContact CD1-CD 4.17Å; I139-K158 HydrophobicContact CD1-CG 4.18Å; I139-K158 HydrophobicContact CG2-CD 4.28Å; I139-K158 PolarHBondContact N-O 2.94Å; R140-K158 PolarHBondContact N-O 3.45Å; R140-K158 PolarHBondContact O-N 3.28Å; K158-L169 HydrophobicContact CB-CD2 3.98Å; K158-L169 HydrophobicContact CG-CD2 3.84Å
159	T	96.9	Very high	94.9	Very high	10 Å²	10	41.7 Å²	41.7	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	162.2	175.4	65.3	0	0	0	0	111	H133 L137 I138 L157 Y167 S168 W170	H133-T159 HydrophobicContact CB-CG2 4.31Å; L137-T159 CarbonylContact O-C 3.58Å; L137-T159 VanDerWaalsContact O-CA 3.23Å; L137-T159 WeakPolarHBondContact O-CA 3.28Å; I138-T159 HydrophobicContact CG1-CG2 4.28Å; L157-T159 HydrophobicContact CD2-CG2 3.82Å; L157-T159 HydrophobicContact CG-CG2 3.89Å; T159-Y167 WeakPolarHBondContact O-CA 3.36Å; T159-S168 PolarHBondContact N-O 3.4Å; T159-S168 PolarHBondContact O-N 2.78Å; T159-S168 PolarHBondContact OG1-O 2.89Å; T159-W170 PolarHBondContact OG1-NE1 3.4Å
160	T	95.6	Very high	95.2	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.117	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	165.9	170.7	-165.6	0	0	0	0	111.5	L137 I139 N164 E166	L137-T160 HydrophobicContact CD2-CG2 4.18Å; L137-T160 PolarHBondContact O-N 3.15Å; I139-T160 HydrophobicContact CG1-CG2 4.37Å; T160-N164 WeakPolarHBondContact OG1-CA 3.49Å; T160-N164 PolarHBondContact OG1-OD1 2.86Å; T160-E166 WeakPolarHBondContact CA-O 3.34Å; T160-E166 PolarHBondContact OG1-O 2.95Å
161	D	94.6	Very high	95.5	Very high	42 Å²	42	35.5 Å²	35.5	23%	0.225	21%	0.207	C	C	.	.			trans	-79.2	173.4	164.2	71.5	-23.7	0	0	0	112.6	S163 N164 E165 E166	D161-S163 PolarHBondContact O-N 2.83Å; D161-S163 WeakPolarHBondContact OD2-CB 3.36Å; D161-S163 PolarHBondContact OD2-OG 2.91Å; D161-N164 PolarHBondContact O-N 2.92Å; D161-N164 VanDerWaalsContact OD1-CA 3.26Å; D161-N164 WeakPolarHBondContact OD1-CA 3.44Å; D161-N164 PolarHBondContact OD1-N 2.81Å; D161-E165 PolarHBondContact OD1-N 3.13Å; D161-E166 PolarHBondContact N-O 2.9Å; D161-E166 VanDerWaalsContact N-O 3.13Å; D161-E166 PolarHBondContact OD1-N 2.89Å; D161-E166 VanDerWaalsContact OD1-N 3.16Å
162	A	94.2	Very high	95.8	Very high	88 Å²	88	33.5 Å²	33.5	73%	0.727	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25	-179.6	0	0	0	0	0	113.6
163	S	92.9	Very high	95.9	Very high	73 Å²	73	30.4 Å²	30.4	51%	0.51	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.4	177.4	4.9	0	0	0	0	113.7	D161 E165	D161-S163 PolarHBondContact O-N 2.83Å; D161-S163 WeakPolarHBondContact OD2-CB 3.36Å; D161-S163 PolarHBondContact OD2-OG 2.91Å; S163-E165 VanDerWaalsContact C-N 3.27Å; S163-E165 PolarHBondContact O-N 3.17Å
164	N	89.7	Confident	95.9	Very high	91 Å²	91	30.2 Å²	30.2	49%	0.487	17%	0.171	S	C	.	.	S	Bend	trans	56.5	39.5	-169.6	-165.4	29.3	0	0	0	113.4	L76 T160 D161 Y167	L76-N164 WeakPolarHBondContact CD1-O 3.34Å; T160-N164 WeakPolarHBondContact OG1-CA 3.49Å; T160-N164 PolarHBondContact OG1-OD1 2.86Å; D161-N164 PolarHBondContact O-N 2.92Å; D161-N164 VanDerWaalsContact OD1-CA 3.26Å; D161-N164 WeakPolarHBondContact OD1-CA 3.44Å; D161-N164 PolarHBondContact OD1-N 2.81Å; N164-Y167 PolarHBondContact OD1-OH 2.9Å
165	E	90.8	Very high	95.8	Very high	133 Å²	133	33.7 Å²	33.7	62%	0.621	19%	0.19	S	C	*	.			trans	-110.8	-28.9	-179.2	-73.6	-177	-177.5	0	0	112.6	L76 D161 S163	L76-E165 PolarHBondContact N-O 3.44Å; D161-E165 PolarHBondContact OD1-N 3.13Å; S163-E165 VanDerWaalsContact C-N 3.27Å; S163-E165 PolarHBondContact O-N 3.17Å
166	E	93.7	Very high	95.7	Very high	75 Å²	75	36 Å²	36	35%	0.35	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.4	-179.2	-65.5	-171.1	163.8	0	0	111.5	K73 L74 T160 D161	K73-E166 WeakPolarHBondContact CG-OE2 3.34Å; L74-E166 WeakPolarHBondContact O-CA 3.34Å; T160-E166 WeakPolarHBondContact CA-O 3.34Å; T160-E166 PolarHBondContact OG1-O 2.95Å; D161-E166 PolarHBondContact N-O 2.9Å; D161-E166 VanDerWaalsContact N-O 3.13Å; D161-E166 PolarHBondContact OD1-N 2.89Å; D161-E166 VanDerWaalsContact OD1-N 3.16Å
167	Y	94.2	Very high	95.7	Very high	26 Å²	26	40.3 Å²	40.3	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.4	174.7	-57.5	-65.6	0	0	0	111.3	K73 L74 L76 I139 T159 N164	K73-Y167 PolarHBondContact N-O 2.87Å; L74-Y167 WeakPolarHBondContact CB-O 3.32Å; L74-Y167 PolarHBondContact N-O 3.48Å; L74-Y167 PolarHBondContact O-N 3.5Å; L76-Y167 HydrophobicContact CD1-CE2 3.66Å; L76-Y167 VanDerWaalsContact CD1-OH 3.28Å; L76-Y167 WeakPolarHBondContact CD1-OH 3.45Å; L76-Y167 HydrophobicContact CG-CE2 4.24Å; I139-Y167 HydrophobicContact CD1-CD1 3.45Å; I139-Y167 VanDerWaalsContact CD1-CD1 3.45Å; I139-Y167 HydrophobicContact CD1-CE1 3.31Å; T159-Y167 WeakPolarHBondContact O-CA 3.36Å; N164-Y167 PolarHBondContact OD1-OH 2.9Å
168	S	95.9	Very high	95.6	Very high	18 Å²	18	47.6 Å²	47.6	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.6	170.2	-62.9	0	0	0	0	110	I71 E72 K73 T159	I71-S168 CarbonylContact O-C 3.57Å; I71-S168 WeakPolarHBondContact O-CA 3.47Å; E72-S168 WeakPolarHBondContact CA-OG 3.42Å; K73-S168 PolarHBondContact N-OG 3.45Å; T159-S168 PolarHBondContact N-O 3.4Å; T159-S168 PolarHBondContact O-N 2.78Å; T159-S168 PolarHBondContact OG1-O 2.89Å
169	L	97	Very high	95.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.3	175.4	-53.3	-175.4	0	0	0	108.9	A70 I71 L74 L82 L88 Y91 L157 K158	A70-L169 CarbonylContact C-O 3.53Å; A70-L169 WeakPolarHBondContact CA-O 3.41Å; A70-L169 WeakPolarHBondContact CB-O 3.41Å; I71-L169 HydrophobicContact CB-CB 4.37Å; I71-L169 PolarHBondContact N-O 2.83Å; I71-L169 PolarHBondContact O-N 2.91Å; L74-L169 HydrophobicContact CD1-CD1 4.02Å; L74-L169 HydrophobicContact CD1-CG 3.96Å; L82-L169 HydrophobicContact CD1-CD1 4.08Å; L82-L169 HydrophobicContact CD1-CD2 4.33Å; L88-L169 HydrophobicContact CD1-CD1 3.78Å; L88-L169 HydrophobicContact CD1-CD2 3.53Å; L88-L169 HydrophobicContact CD1-CG 4.22Å; Y91-L169 HydrophobicContact CD1-CD1 3.56Å; Y91-L169 HydrophobicContact CE1-CD1 3.85Å; L157-L169 CarbonylContact O-C 3.51Å; L157-L169 WeakPolarHBondContact O-CA 3.28Å; K158-L169 HydrophobicContact CB-CD2 3.98Å; K158-L169 HydrophobicContact CG-CD2 3.84Å
170	W	98.3	Very high	95.7	Very high	18 Å²	18	47.8 Å²	47.8	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.7	178	-44.1	83.9	0	0	0	108.9	A70 E72 H131 H133 L157 T159 Y172	A70-W170 HydrophobicContact CB-CD2 4.1Å; A70-W170 HydrophobicContact CB-CE3 3.42Å; A70-W170 VanDerWaalsContact CB-CE3 3.42Å; A70-W170 HydrophobicContact CB-CH2 4.46Å; A70-W170 HydrophobicContact CB-CZ3 3.61Å; E72-W170 HydrophobicContact CG-CH2 3.94Å; E72-W170 HydrophobicContact CG-CZ2 4.36Å; E72-W170 HydrophobicContact CG-CZ3 4.38Å; H131-W170 AromaticContact CE1-CE3 3.94Å; H131-W170 AromaticContact CE1-CZ3 3.28Å; H131-W170 WeakPolarHBondContact CE1-CZ3 3.33Å; H131-W170 AromaticContact ND1-CZ3 3.6Å; H131-W170 AromaticContact NE2-CE3 3.87Å; H131-W170 AromaticContact NE2-CZ3 3.67Å; H133-W170 AromaticContact CE1-CD1 3.71Å; H133-W170 AromaticContact CE1-CD2 3.37Å; H133-W170 AromaticContact CE1-CE2 3.31Å; H133-W170 AromaticContact CE1-CE3 3.91Å; H133-W170 AromaticContact CE1-CG 3.65Å; H133-W170 AromaticContact CE1-CZ2 3.83Å; H133-W170 AromaticContact CE1-NE1 3.48Å; H133-W170 PolarHBondContact CE1-NE1 2.98Å; H133-W170 AromaticContact ND1-CE2 3.99Å; H133-W170 AromaticContact ND1-NE1 3.84Å; H133-W170 AromaticContact NE2-CD2 3.85Å; H133-W170 AromaticContact NE2-CG 3.8Å; L157-W170 HydrophobicContact CB-CB 4.2Å; L157-W170 PolarHBondContact N-O 3.49Å; L157-W170 PolarHBondContact O-N 3.36Å; T159-W170 PolarHBondContact OG1-NE1 3.4Å; W170-Y172 HydrophobicContact CB-CE2 3.7Å
171	V	98.2	Very high	95.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.2	-176.4	-171.7	0	0	0	0	110	Y67 V68 G69 I92 L101 L154 L155	Y67-V171 WeakPolarHBondContact CD2-O 3.4Å; V68-V171 HydrophobicContact CB-CB 3.96Å; V68-V171 HydrophobicContact CB-CG1 3.87Å; V68-V171 WeakPolarHBondContact CB-O 3.5Å; V68-V171 HydrophobicContact CG1-CB 4.37Å; V68-V171 HydrophobicContact CG1-CG1 4.19Å; V68-V171 HydrophobicContact CG2-CG1 3.95Å; V68-V171 PolarHBondContact N-O 2.84Å; G69-V171 PolarHBondContact N-O 3.48Å; G69-V171 PolarHBondContact O-N 2.86Å; I92-V171 HydrophobicContact CD1-CG2 3.74Å; I92-V171 HydrophobicContact CG1-CG2 4.12Å; I92-V171 HydrophobicContact CG2-CG2 4.13Å; L101-V171 HydrophobicContact CD1-CG2 3.97Å; L154-V171 HydrophobicContact CD1-CG1 4.4Å; L155-V171 WeakPolarHBondContact O-CA 3.4Å
172	Y	98.4	Very high	95.8	Very high	3 Å²	3	52 Å²	52	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.4	178.9	-53.5	-78.7	0	0	0	110	I65 K66 Y67 M112 V121 H133 L154 L155 W170	I65-Y172 HydrophobicContact CD1-CD1 3.61Å; I65-Y172 HydrophobicContact CD1-CE1 4.37Å; I65-Y172 HydrophobicContact CD1-CG 4.28Å; K66-Y172 CarbonylContact O-C 3.58Å; K66-Y172 WeakPolarHBondContact O-CA 3.38Å; Y67-Y172 AromaticContact CD2-CD1 3.64Å; Y67-Y172 HydrophobicContact CD2-CD1 3.64Å; Y67-Y172 AromaticContact CD2-CE1 3.38Å; Y67-Y172 HydrophobicContact CD2-CE1 3.38Å; Y67-Y172 HydrophobicContact CE2-CD1 4.44Å; Y67-Y172 AromaticContact CE2-CE1 3.87Å; Y67-Y172 HydrophobicContact CE2-CE1 3.87Å; Y67-Y172 HydrophobicContact CG-CD1 4.5Å; Y67-Y172 HydrophobicContact CG-CE1 4.35Å; M112-Y172 HydrophobicContact CE-CD1 3.89Å; M112-Y172 HydrophobicContact CE-CD2 3.47Å; M112-Y172 VanDerWaalsContact CE-CD2 3.47Å; M112-Y172 HydrophobicContact CE-CE1 4.14Å; M112-Y172 HydrophobicContact CE-CE2 3.73Å; M112-Y172 HydrophobicContact CE-CG 3.56Å; V121-Y172 HydrophobicContact CG1-CE1 4.44Å; V121-Y172 HydrophobicContact CG2-CE1 4.02Å; H133-Y172 PolarHBondContact NE2-OH 2.86Å; L154-Y172 CarbonylContact C-O 3.56Å; L154-Y172 VanDerWaalsContact CA-O 3.29Å; L154-Y172 WeakPolarHBondContact CA-O 3.28Å; L155-Y172 PolarHBondContact N-O 3.33Å; L155-Y172 PolarHBondContact O-N 2.89Å; W170-Y172 HydrophobicContact CB-CE2 3.7Å
173	Q	98	Very high	96	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.065	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.8	173.2	-174.8	-172.9	-72.6	0	0	109.8	K66 V68 P105 K152 L154	K66-Q173 HydrophobicContact CB-CB 4.3Å; K66-Q173 PolarHBondContact N-O 3.29Å; K66-Q173 PolarHBondContact O-N 3.48Å; V68-Q173 HydrophobicContact CG2-CB 4.23Å; P105-Q173 HydrophobicContact CG-CB 4.01Å; P105-Q173 HydrophobicContact CG-CG 4.49Å; P105-Q173 VanDerWaalsContact CG-OE1 3.3Å; K152-Q173 HydrophobicContact CB-CG 4.18Å; L154-Q173 HydrophobicContact CD2-CB 3.7Å; L154-Q173 HydrophobicContact CD2-CG 3.93Å
174	C	97.8	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	159.1	174.6	-65.3	0	0	0	0	111.4	S153 L155 S176 Q179 A180	S153-C174 PolarHBondContact O-N 3.1Å; L155-C174 WeakPolarHBondContact CD1-SG 3.23Å; C174-S176 VanDerWaalsContact C-N 3.33Å; C174-Q179 HydrophobicContact CB-CB 4.47Å; C174-A180 HydrophobicContact CB-CB 3.93Å
175	N	95.3	Very high	96.5	Very high	78 Å²	78	49.1 Å²	49.1	42%	0.417	25%	0.247	S	C	.	.	S	Bend	trans	-73.8	-26.9	176.7	-69.6	-19.5	0	0	0	112.4	R64	R64-N175 PolarHBondContact O-ND2 3.05Å
176	S	96.1	Very high	96.7	Very high	49 Å²	49	44.4 Å²	44.4	34%	0.343	23%	0.228	S	C	.	.			trans	-152.8	161.7	176.6	69.9	0	0	0	0	111.8	C174 E178 Q179 A180	C174-S176 VanDerWaalsContact C-N 3.33Å; S176-E178 VanDerWaalsContact C-N 3.27Å; S176-E178 PolarHBondContact O-N 3.19Å; S176-Q179 WeakPolarHBondContact O-CB 3.41Å; S176-Q179 PolarHBondContact O-N 3.49Å; S176-Q179 PolarHBondContact OG-N 3.37Å; S176-Q179 VanDerWaalsContact OG-N 3.14Å; S176-A180 PolarHBondContact O-N 2.92Å; S176-A180 VanDerWaalsContact O-N 3.13Å
177	L	96.7	Very high	96.8	Very high	91 Å²	91	41.1 Å²	41.1	48%	0.476	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-38.5	171.6	178.7	61.1	0	0	0	111.9	S153 Q179 A180 Q181	S153-L177 VanDerWaalsContact OG-CA 3.25Å; S153-L177 WeakPolarHBondContact OG-CA 3.36Å; S153-L177 PolarHBondContact OG-N 2.96Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.17Å; L177-A180 PolarHBondContact O-N 3.33Å; L177-Q181 HydrophobicContact CD1-CG 4.19Å; L177-Q181 HydrophobicContact CG-CG 4.37Å; L177-Q181 WeakPolarHBondContact O-CB 3.26Å; L177-Q181 WeakPolarHBondContact O-CG 3.4Å; L177-Q181 PolarHBondContact O-N 3.21Å
178	E	96.8	Very high	96.9	Very high	154 Å²	154	43 Å²	43	72%	0.72	23%	0.229	S	C	*	.	H	α-helix	trans	-59.6	-43.3	177	-176.9	179.8	-172	0	0	111.4	S176 Q181 A182	S176-E178 VanDerWaalsContact C-N 3.27Å; S176-E178 PolarHBondContact O-N 3.19Å; E178-Q181 PolarHBondContact O-N 3.19Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 3.44Å
179	Q	97.3	Very high	96.8	Very high	29 Å²	29	45.4 Å²	45.4	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.3	-170.6	-171.5	37.7	0	0	111.6	F63 R64 C174 S176 L177 Q181 A182 I183	F63-Q179 HydrophobicContact CB-CG 4.4Å; F63-Q179 HydrophobicContact CD1-CG 3.77Å; F63-Q179 HydrophobicContact CG-CG 4.44Å; R64-Q179 PolarHBondContact O-NE2 2.8Å; R64-Q179 PolarHBondContact O-OE1 2.84Å; C174-Q179 HydrophobicContact CB-CB 4.47Å; S176-Q179 WeakPolarHBondContact O-CB 3.41Å; S176-Q179 PolarHBondContact O-N 3.49Å; S176-Q179 PolarHBondContact OG-N 3.37Å; S176-Q179 VanDerWaalsContact OG-N 3.14Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.17Å; Q179-Q181 VanDerWaalsContact C-N 3.35Å; Q179-Q181 PolarHBondContact O-N 2.9Å; Q179-A182 WeakPolarHBondContact O-CB 3.22Å; Q179-A182 PolarHBondContact O-N 3.16Å; Q179-I183 HydrophobicContact CG-CD1 4.24Å; Q179-I183 WeakPolarHBondContact O-CG1 3.18Å; Q179-I183 PolarHBondContact O-N 2.6Å
180	A	97.7	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178.5	0	0	0	0	0	111.8	C143 L155 C174 S176 L177 I183 C184	C143-A180 WeakPolarHBondContact SG-CB 3.19Å; L155-A180 HydrophobicContact CD2-CB 4.15Å; L155-A180 HydrophobicContact CG-CB 4.4Å; C174-A180 HydrophobicContact CB-CB 3.93Å; S176-A180 PolarHBondContact O-N 2.92Å; S176-A180 VanDerWaalsContact O-N 3.13Å; L177-A180 PolarHBondContact O-N 3.33Å; A180-I183 PolarHBondContact O-N 3.48Å; A180-C184 PolarHBondContact O-N 2.83Å; A180-C184 PolarHBondContact O-SG 2.88Å
181	Q	96.5	Very high	96.4	Very high	113 Å²	113	47.6 Å²	47.6	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-38.8	174.7	-72.2	176.7	-23.2	0	0	112.4	L177 E178 Q179 C184 K185	L177-Q181 HydrophobicContact CD1-CG 4.19Å; L177-Q181 HydrophobicContact CG-CG 4.37Å; L177-Q181 WeakPolarHBondContact O-CB 3.26Å; L177-Q181 WeakPolarHBondContact O-CG 3.4Å; L177-Q181 PolarHBondContact O-N 3.21Å; E178-Q181 PolarHBondContact O-N 3.19Å; Q179-Q181 VanDerWaalsContact C-N 3.35Å; Q179-Q181 PolarHBondContact O-N 2.9Å; Q181-C184 PolarHBondContact O-N 3.29Å; Q181-K185 WeakPolarHBondContact O-CB 3.5Å; Q181-K185 PolarHBondContact O-N 3.25Å
182	A	96.8	Very high	96.1	Very high	36 Å²	36	51.9 Å²	51.9	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-44	175	0	0	0	0	0	111.6	F63 E178 Q179 K185 V186	F63-A182 HydrophobicContact CE1-CB 3.92Å; F63-A182 HydrophobicContact CZ-CB 4.2Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 3.44Å; Q179-A182 WeakPolarHBondContact O-CB 3.22Å; Q179-A182 PolarHBondContact O-N 3.16Å; A182-K185 PolarHBondContact O-N 2.97Å; A182-V186 WeakPolarHBondContact O-CG2 3.26Å; A182-V186 PolarHBondContact O-N 2.97Å
183	I	97.3	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-49.5	174.7	-71.1	161.8	0	0	0	110.8	F63 I65 M112 V114 M141 L155 Q179 A180 K185 V186 L187	F63-I183 HydrophobicContact CB-CD1 3.89Å; F63-I183 HydrophobicContact CB-CG1 4.14Å; F63-I183 HydrophobicContact CD1-CD1 4.28Å; F63-I183 HydrophobicContact CD1-CG1 3.87Å; F63-I183 HydrophobicContact CD2-CD1 4.07Å; F63-I183 HydrophobicContact CD2-CG1 3.37Å; F63-I183 HydrophobicContact CE1-CG1 4.04Å; F63-I183 HydrophobicContact CE2-CB 4.47Å; F63-I183 HydrophobicContact CE2-CG1 3.56Å; F63-I183 HydrophobicContact CG-CD1 3.82Å; F63-I183 HydrophobicContact CG-CG1 3.51Å; F63-I183 HydrophobicContact CZ-CG1 3.88Å; I65-I183 HydrophobicContact CG2-CD1 4.16Å; M112-I183 HydrophobicContact SD-CD1 4.28Å; M112-I183 HydrophobicContact SD-CG2 4.16Å; V114-I183 HydrophobicContact CG2-CG2 4.1Å; M141-I183 HydrophobicContact CE-CG2 3.68Å; M141-I183 HydrophobicContact SD-CG2 4.14Å; L155-I183 HydrophobicContact CD1-CB 4.04Å; L155-I183 HydrophobicContact CD1-CD1 3.68Å; L155-I183 HydrophobicContact CD1-CG1 4.45Å; L155-I183 HydrophobicContact CD1-CG2 3.61Å; Q179-I183 HydrophobicContact CG-CD1 4.24Å; Q179-I183 WeakPolarHBondContact O-CG1 3.18Å; Q179-I183 PolarHBondContact O-N 2.6Å; A180-I183 PolarHBondContact O-N 3.48Å; I183-K185 VanDerWaalsContact C-N 3.31Å; I183-K185 PolarHBondContact O-N 3.13Å; I183-V186 PolarHBondContact O-N 3.28Å; I183-L187 PolarHBondContact O-N 3.25Å
184	C	96.6	Very high	95.1	Very high	36 Å²	36	57 Å²	57	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-57.7	-41.8	175.2	-71.4	0	0	0	0	112.6	M141 A180 Q181 L187 S188	M141-C184 VanDerWaalsContact CE-CA 3.49Å; M141-C184 HydrophobicContact CE-CB 4.14Å; M141-C184 VanDerWaalsContact CE-SG 3.59Å; A180-C184 PolarHBondContact O-N 2.83Å; A180-C184 PolarHBondContact O-SG 2.88Å; Q181-C184 PolarHBondContact O-N 3.29Å; C184-L187 PolarHBondContact O-N 2.94Å; C184-S188 WeakPolarHBondContact O-CB 3.36Å; C184-S188 PolarHBondContact O-N 3.28Å
185	K	96.2	Very high	94.5	Very high	156 Å²	156	63.2 Å²	63.2	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-64.5	-46.4	179.5	-173.5	-179.3	177.9	179.6	0	111.7	Q181 A182 I183 L187 S188 T189	Q181-K185 WeakPolarHBondContact O-CB 3.5Å; Q181-K185 PolarHBondContact O-N 3.25Å; A182-K185 PolarHBondContact O-N 2.97Å; I183-K185 VanDerWaalsContact C-N 3.31Å; I183-K185 PolarHBondContact O-N 3.13Å; K185-L187 VanDerWaalsContact C-N 3.33Å; K185-L187 PolarHBondContact O-N 2.76Å; K185-S188 PolarHBondContact O-N 3.23Å; K185-T189 PolarHBondContact O-N 2.88Å; K185-T189 PolarHBondContact O-OG1 3.01Å; K185-T189 VanDerWaalsContact O-OG1 3.07Å
186	V	96	Very high	93.7	Very high	34 Å²	34	64.5 Å²	64.5	21%	0.206	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-41.7	178.1	177.9	0	0	0	0	110.6	A61 F63 V114 A182 I183 T189 A190	A61-V186 HydrophobicContact CB-CG1 4.23Å; A61-V186 HydrophobicContact CB-CG2 3.98Å; F63-V186 HydrophobicContact CZ-CG2 4.39Å; V114-V186 HydrophobicContact CB-CB 4.43Å; V114-V186 HydrophobicContact CB-CG1 3.92Å; V114-V186 HydrophobicContact CG1-CB 4.15Å; V114-V186 HydrophobicContact CG1-CG1 3.73Å; A182-V186 WeakPolarHBondContact O-CG2 3.26Å; A182-V186 PolarHBondContact O-N 2.97Å; I183-V186 PolarHBondContact O-N 3.28Å; V186-T189 PolarHBondContact O-N 3.06Å; V186-A190 WeakPolarHBondContact O-CB 3.37Å; V186-A190 PolarHBondContact O-N 2.74Å
187	L	96.1	Very high	92.1	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-64.7	-41.5	176.7	-173.7	66.4	0	0	0	112.2	V114 I119 L135 I138 M141 I183 C184 K185 A190 F191	V114-L187 HydrophobicContact CG1-CB 4.1Å; V114-L187 HydrophobicContact CG1-CD1 4.31Å; I119-L187 HydrophobicContact CD1-CD1 4.36Å; I119-L187 HydrophobicContact CD1-CD2 4.24Å; I119-L187 HydrophobicContact CG1-CD1 4.26Å; L135-L187 HydrophobicContact CD1-CD1 3.67Å; I138-L187 HydrophobicContact CD1-CD1 4.24Å; M141-L187 HydrophobicContact CB-CD2 3.88Å; M141-L187 HydrophobicContact CE-CB 3.96Å; M141-L187 HydrophobicContact CE-CD2 3.42Å; M141-L187 VanDerWaalsContact CE-CD2 3.42Å; M141-L187 HydrophobicContact CE-CG 4.34Å; M141-L187 HydrophobicContact SD-CD2 3.83Å; I183-L187 PolarHBondContact O-N 3.25Å; C184-L187 PolarHBondContact O-N 2.94Å; K185-L187 VanDerWaalsContact C-N 3.33Å; K185-L187 PolarHBondContact O-N 2.76Å; L187-A190 WeakPolarHBondContact O-CB 3.41Å; L187-A190 PolarHBondContact O-N 3.06Å; L187-F191 HydrophobicContact CD1-CD2 4.47Å; L187-F191 HydrophobicContact CD1-CE2 4Å; L187-F191 HydrophobicContact CD2-CE2 4.05Å; L187-F191 HydrophobicContact CG-CD2 4.08Å; L187-F191 HydrophobicContact CG-CE2 3.71Å; L187-F191 VanDerWaalsContact O-CD2 3.26Å; L187-F191 WeakPolarHBondContact O-CD2 3.29Å; L187-F191 PolarHBondContact O-N 3.47Å
188	S	95	Very high	90.1	Very high	65 Å²	65	70.5 Å²	70.5	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-48	174.5	-168	0	0	0	0	111.2	C184 K185 A190 F191 D192	C184-S188 WeakPolarHBondContact O-CB 3.36Å; C184-S188 PolarHBondContact O-N 3.28Å; K185-S188 PolarHBondContact O-N 3.23Å; S188-A190 VanDerWaalsContact C-N 3.26Å; S188-A190 PolarHBondContact O-N 3.21Å; S188-F191 PolarHBondContact O-N 3.5Å; S188-D192 PolarHBondContact O-N 3.35Å
189	T	94.1	Very high	87.7	Confident	69 Å²	69	72.1 Å²	72.1	42%	0.423	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-35.8	175.9	-57	0	0	0	0	112	K185 V186 D192 S193	K185-T189 PolarHBondContact O-N 2.88Å; K185-T189 PolarHBondContact O-OG1 3.01Å; K185-T189 VanDerWaalsContact O-OG1 3.07Å; V186-T189 PolarHBondContact O-N 3.06Å; T189-D192 PolarHBondContact O-N 3.45Å; T189-S193 VanDerWaalsContact O-CB 3.29Å; T189-S193 WeakPolarHBondContact O-CB 3.31Å; T189-S193 PolarHBondContact O-N 3.46Å
190	A	93.2	Very high	85.2	Confident	2 Å²	2	79.9 Å²	79.9	2%	0.017	44%	0.443	C	S	.	.	H	α-helix	trans	-64	-44.1	175.7	0	0	0	0	0	111.8	L135 V186 L187 S188 S193 V194	L135-A190 HydrophobicContact CD1-CB 4.35Å; L135-A190 HydrophobicContact CD2-CB 4.44Å; V186-A190 WeakPolarHBondContact O-CB 3.37Å; V186-A190 PolarHBondContact O-N 2.74Å; L187-A190 WeakPolarHBondContact O-CB 3.41Å; L187-A190 PolarHBondContact O-N 3.06Å; S188-A190 VanDerWaalsContact C-N 3.26Å; S188-A190 PolarHBondContact O-N 3.21Å; A190-S193 PolarHBondContact O-N 3.01Å; A190-V194 WeakPolarHBondContact O-CG2 3.34Å; A190-V194 PolarHBondContact O-N 3.33Å
191	F	93.7	Very high	84.6	Confident	65 Å²	65	83.9 Å²	83.9	29%	0.285	47%	0.465	S	S	.	.	H	α-helix	trans	-61.8	-47.7	173.3	-76.2	-63.1	0	0	0	112	L135 I138 L187 S188 S193 V194 L195	L135-F191 HydrophobicContact CD1-CD1 3.9Å; L135-F191 HydrophobicContact CD1-CD2 4.35Å; L135-F191 HydrophobicContact CD1-CE1 3.61Å; L135-F191 HydrophobicContact CD1-CE2 4.09Å; L135-F191 HydrophobicContact CD1-CG 4.27Å; L135-F191 HydrophobicContact CD1-CZ 3.72Å; L135-F191 HydrophobicContact CD2-CD1 4.18Å; L135-F191 HydrophobicContact CD2-CE1 4.44Å; L135-F191 HydrophobicContact CG-CD1 3.91Å; L135-F191 HydrophobicContact CG-CE1 3.68Å; L135-F191 HydrophobicContact CG-CZ 4.27Å; I138-F191 HydrophobicContact CB-CZ 4.05Å; I138-F191 HydrophobicContact CG2-CE2 4.42Å; I138-F191 HydrophobicContact CG2-CZ 3.92Å; L187-F191 HydrophobicContact CD1-CD2 4.47Å; L187-F191 HydrophobicContact CD1-CE2 4Å; L187-F191 HydrophobicContact CD2-CE2 4.05Å; L187-F191 HydrophobicContact CG-CD2 4.08Å; L187-F191 HydrophobicContact CG-CE2 3.71Å; L187-F191 VanDerWaalsContact O-CD2 3.26Å; L187-F191 WeakPolarHBondContact O-CD2 3.29Å; L187-F191 PolarHBondContact O-N 3.47Å; S188-F191 PolarHBondContact O-N 3.5Å; F191-S193 VanDerWaalsContact C-N 3.29Å; F191-S193 PolarHBondContact O-N 2.75Å; F191-V194 PolarHBondContact O-N 3.4Å; F191-L195 WeakPolarHBondContact O-CG 3.46Å; F191-L195 PolarHBondContact O-N 3.17Å
192	D	92.2	Very high	83.9	Confident	90 Å²	90	82.3 Å²	82.3	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-38.7	179	-67.4	-32	0	0	0	111.9	S188 T189 V194 L195 T196	S188-D192 PolarHBondContact O-N 3.35Å; T189-D192 PolarHBondContact O-N 3.45Å; D192-V194 PolarHBondContact O-N 2.79Å; D192-L195 PolarHBondContact O-N 3.22Å; D192-T196 WeakPolarHBondContact O-CB 3.42Å; D192-T196 VanDerWaalsContact O-CG2 3.31Å; D192-T196 WeakPolarHBondContact O-CG2 3.15Å; D192-T196 PolarHBondContact O-N 2.89Å; D192-T196 PolarHBondContact O-OG1 2.89Å
193	S	88.8	Confident	83.2	Confident	48 Å²	48	84.9 Å²	84.9	34%	0.336	47%	0.47	S	S	.	.	H	α-helix	trans	-65.8	-36.9	178.4	-177.1	0	0	0	0	112.8	T189 A190 F191 T196 S197	T189-S193 VanDerWaalsContact O-CB 3.29Å; T189-S193 WeakPolarHBondContact O-CB 3.31Å; T189-S193 PolarHBondContact O-N 3.46Å; A190-S193 PolarHBondContact O-N 3.01Å; F191-S193 VanDerWaalsContact C-N 3.29Å; F191-S193 PolarHBondContact O-N 2.75Å; S193-T196 PolarHBondContact O-OG1 2.65Å; S193-S197 PolarHBondContact O-N 3.15Å
194	V	87.4	Confident	82.4	Confident	76 Å²	76	89.9 Å²	89.9	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-76.2	-36.8	179.3	175.4	0	0	0	0	110.8	L135 A190 F191 D192	L135-V194 HydrophobicContact CD2-CB 4.41Å; L135-V194 HydrophobicContact CD2-CG2 3.77Å; A190-V194 WeakPolarHBondContact O-CG2 3.34Å; A190-V194 PolarHBondContact O-N 3.33Å; F191-V194 PolarHBondContact O-N 3.4Å; D192-V194 PolarHBondContact O-N 2.79Å
195	L	85.6	Confident	81.5	Confident	130 Å²	130	93.3 Å²	93.3	68%	0.681	51%	0.514	S	S	*	.	H	α-helix	trans	-69.6	-31.6	176.9	-68.8	171	0	0	0	113.4	F191 D192	F191-L195 WeakPolarHBondContact O-CG 3.46Å; F191-L195 PolarHBondContact O-N 3.17Å; D192-L195 PolarHBondContact O-N 3.22Å
196	T	76.7	Confident	80.5	Confident	105 Å²	105	89.1 Å²	89.1	64%	0.644	50%	0.503	S	S	*	.	H	α-helix	trans	-86.4	-16.1	180	51.8	0	0	0	0	113.9	D192 S193 E198	D192-T196 WeakPolarHBondContact O-CB 3.42Å; D192-T196 VanDerWaalsContact O-CG2 3.31Å; D192-T196 WeakPolarHBondContact O-CG2 3.15Å; D192-T196 PolarHBondContact O-N 2.89Å; D192-T196 PolarHBondContact O-OG1 2.89Å; S193-T196 PolarHBondContact O-OG1 2.65Å; T196-E198 PolarHBondContact O-N 3.4Å
197	S	63.4	Low	79.4	Confident	96 Å²	96	93 Å²	93	67%	0.671	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.7	177.6	-173.9	0	0	0	0	113.6	S193 K199	S193-S197 PolarHBondContact O-N 3.15Å; S197-K199 VanDerWaalsContact C-N 3.31Å; S197-K199 PolarHBondContact O-N 3.14Å
198	E	55.3	Low	78.1	Confident	171 Å²	171	99.7 Å²	99.7	80%	0.799	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	21.4	-179.3	-69.8	-161.4	149.9	0	0	114.6	T196 P200	T196-E198 PolarHBondContact O-N 3.4Å; E198-P200 WeakPolarHBondContact O-CD 3.18Å
199	K	45.1	Very low	76.7	Confident	188 Å²	188	102.6 Å²	102.6	82%	0.817	57%	0.571	S	S	*	*			trans	-84.8	111	168.7	-142.7	173.1	-172.5	175.4	0	109.3	S197	S197-K199 VanDerWaalsContact C-N 3.31Å; S197-K199 PolarHBondContact O-N 3.14Å
200	P	45.3	Very low	75.2	Confident	191 Å²	191	105.6 Å²	105.6	100%	1.24	59%	0.585	S	S	*	*			trans	-64.9	0	173.6	28.3	-34.3	0	0	0	112.3	E198	E198-P200 WeakPolarHBondContact O-CD 3.18Å

Retrieved 200 of 200 residues in 35.5 ms (Link to these results)

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