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Iron-regulated surface determinant protein A

Cell wall-anchored surface receptor that participates in the extraction of heme from oxidized methemoglobin/metHb to enable growth on hemoglobin as a sole iron source (By similarity). Receives heme from IsdB and transfers it to IsdC (By similarity). Also plays a role in the inhibition of host immune response. Protects S.aureus against the bactericidal protease activity of apolactoferrin. Decreases bacterial cellular hydrophobicity, which renders S.aureus resistant to bactericidal human skin fatty acids as well as to beta-defensins and cathelicidin. Also binds fibronectin and chains B-beta and gamma of fibrinogen, promoting clumping of S.aureus with fibrinogen. Involved in adherence of S.aureus to human desquamated nasal epithelial cells and is required for nasal colonization (By similarity).

AlphaFold DB , UniProt , Accession Q2FZE9, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene isdA, Length 350 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	42.1	Very low	238 Å²	238	173.5 Å²	173.5	100%	1.172	83%	0.833	S	S	*	*				0	155.7	0	-74.6	166.5	169.5	0	0	108.6
2	T	44.2	Very low	42.2	Very low	126 Å²	126	166.6 Å²	166.6	77%	0.773	82%	0.817	S	S	*	*			trans	64.6	120.7	174.8	-48.1	0	0	0	0	116.8
3	K	40.1	Very low	42	Very low	174 Å²	174	166.5 Å²	166.5	76%	0.757	81%	0.814	S	S	*	*			trans	-116	131.1	167.7	-63.7	179.5	-179.1	179.6	0	109.1
4	H	41.7	Very low	41.7	Very low	174 Å²	174	166.7 Å²	166.7	81%	0.806	81%	0.812	S	S	*	*			trans	-143.1	112.6	153.8	-67.3	-78.5	0	0	0	105.6
5	Y	41.9	Very low	41.5	Very low	201 Å²	201	171.2 Å²	171.2	79%	0.788	82%	0.817	S	S	*	*				69.6	141.3	51.4	-94	-85.3	0	0	0	115.5
6	L	47.6	Very low	41.5	Very low	160 Å²	160	167.6 Å²	167.6	84%	0.838	82%	0.815	S	S	*	*			trans	79.7	131.8	-178.2	-56.7	162.5	0	0	0	114.5
7	N	38.4	Very low	41.5	Very low	145 Å²	145	164.2 Å²	164.2	78%	0.775	81%	0.812	S	S	*	*			cis	-154.2	153.9	-11.9	-173.8	20.7	0	0	0	110.4
8	S	40.9	Very low	41.6	Very low	107 Å²	107	160.9 Å²	160.9	75%	0.748	82%	0.815	S	S	*	*			trans	-136.2	88	-174.3	61.6	0	0	0	0	114
9	K	46.1	Very low	41.7	Very low	177 Å²	177	161.5 Å²	161.5	77%	0.77	82%	0.817	S	S	*	*			trans	-147	146.2	153.7	-63.4	-165.7	179.1	-173.6	0	106.2
10	Y	40.5	Very low	41.8	Very low	212 Å²	212	162.4 Å²	162.4	83%	0.831	82%	0.815	S	S	*	*			cis	-129.5	147.6	25.1	-86	-112.4	0	0	0	113.4
11	Q	38.1	Very low	41.6	Very low	194 Å²	194	164.7 Å²	164.7	91%	0.907	82%	0.82	S	S	*	*			trans	-129.4	131	153.2	-91.7	-158.3	84.1	0	0	107.7
12	S	43.3	Very low	41.7	Very low	91 Å²	91	160 Å²	160	64%	0.636	80%	0.798	S	S	*	*			trans	165.3	121.5	141.6	55.3	0	0	0	0	110.7
13	E	39.8	Very low	41.4	Very low	166 Å²	166	160.6 Å²	160.6	78%	0.776	80%	0.802	S	S	*	*			trans	65.3	148.6	149.5	-62.4	162.5	167.9	0	0	117.2
14	Q	37.1	Very low	41.7	Very low	169 Å²	169	160.7 Å²	160.7	79%	0.79	81%	0.807	S	S	*	*			cis	-121.7	162.3	25.4	-76.3	-66.8	-15.1	0	0	114.4
15	R	39.5	Very low	41.6	Very low	234 Å²	234	155.4 Å²	155.4	88%	0.883	80%	0.8	S	S	*	*			trans	-103.8	136.3	174.4	-49.6	169.9	81.6	-170.3	8.1	109.4
16	S	40.1	Very low	41.5	Very low	114 Å²	114	152.4 Å²	152.4	80%	0.797	80%	0.803	S	S	*	*			trans	179.4	171.2	134.7	-153.8	0	0	0	0	113.1
17	S	42.7	Very low	41.1	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	80%	0.799	S	S	*	*			trans	62.6	83.8	156.6	-59.8	0	0	0	0	118.5
18	A	42.3	Very low	41.1	Very low	105 Å²	105	147.4 Å²	147.4	87%	0.868	80%	0.798	S	S	*	*			trans	-70.8	134.6	155.8	0	0	0	0	0	111
19	M	44.8	Very low	41.4	Very low	172 Å²	172	149 Å²	149	85%	0.847	80%	0.797	S	S	*	*			trans	-145.4	135.7	165.5	-96.2	-75.6	-170.5	0	0	110.7
20	K	43.5	Very low	41.2	Very low	180 Å²	180	148.1 Å²	148.1	78%	0.783	80%	0.799	S	S	*	*			trans	0.4	124.1	171.5	-65.3	177.7	175.8	177.8	0	119.2	I22	K20-I22 PolarHBondContact O-N 3.43Å
21	K	37.8	Very low	41.4	Very low	210 Å²	210	145.6 Å²	145.6	91%	0.913	80%	0.799	S	S	*	*			trans	-57.8	128.1	153.6	-58.5	178.1	-177.5	179.8	0	109.1
22	I	45	Very low	41.6	Very low	139 Å²	139	139.6 Å²	139.6	71%	0.713	79%	0.789	S	S	*	*			trans	-118.2	109.8	168	-61.7	179.6	0	0	0	108	K20 M24	K20-I22 PolarHBondContact O-N 3.43Å; I22-M24 HydrophobicContact CG2-CG 4.09Å; I22-M24 PolarHBondContact O-N 3.09Å; I22-M24 VanDerWaalsContact O-N 3.09Å
23	T	37.6	Very low	41.6	Very low	140 Å²	140	140.7 Å²	140.7	86%	0.859	80%	0.797	S	S	*	*			trans	-73.2	96.2	171.5	-55.8	0	0	0	0	108.6	G25	T23-G25 PolarHBondContact O-N 3.14Å; T23-G25 VanDerWaalsContact O-N 3.14Å
24	M	46	Very low	41.6	Very low	175 Å²	175	141 Å²	141	86%	0.862	80%	0.803	S	S	*	*			trans	-76.4	100	174.4	-66.9	-158.6	-62.1	0	0	110.2	I22	I22-M24 HydrophobicContact CG2-CG 4.09Å; I22-M24 PolarHBondContact O-N 3.09Å; I22-M24 VanDerWaalsContact O-N 3.09Å
25	G	40.4	Very low	42	Very low	64 Å²	64	138.3 Å²	138.3	66%	0.66	80%	0.798	S	S	*	*			trans	-65.5	152.5	169	0	0	0	0	0	112	T23 A27	T23-G25 PolarHBondContact O-N 3.14Å; T23-G25 VanDerWaalsContact O-N 3.14Å; G25-A27 PolarHBondContact O-N 3.17Å
26	T	39.1	Very low	41.9	Very low	138 Å²	138	137.4 Å²	137.4	85%	0.847	80%	0.796	S	S	*	*			trans	-71.8	105.4	-177.6	48.4	0	0	0	0	112	S28	T26-S28 PolarHBondContact O-N 3.01Å
27	A	40	Very low	42	Very low	90 Å²	90	139 Å²	139	74%	0.744	79%	0.794	S	S	*	*			trans	-84.5	95.6	172.7	0	0	0	0	0	111.2	G25 I29	G25-A27 PolarHBondContact O-N 3.17Å; A27-I29 PolarHBondContact O-N 3.29Å
28	S	38.6	Very low	41.7	Very low	109 Å²	109	136.6 Å²	136.6	76%	0.762	79%	0.786	S	S	*	*			trans	-74.4	106.3	172.7	-62.1	0	0	0	0	110.7	T26 I30	T26-S28 PolarHBondContact O-N 3.01Å; S28-I30 PolarHBondContact O-N 3.01Å
29	I	46.6	Very low	41.5	Very low	142 Å²	142	136.4 Å²	136.4	73%	0.728	79%	0.785	S	S	*	*			trans	-83.8	105.7	176	-58	178.3	0	0	0	109.3	A27 L31	A27-I29 PolarHBondContact O-N 3.29Å; I29-L31 HydrophobicContact CG2-CD1 3.93Å; I29-L31 HydrophobicContact CG2-CG 4.46Å; I29-L31 PolarHBondContact O-N 3.32Å
30	I	42	Very low	41.4	Very low	157 Å²	157	135.9 Å²	135.9	81%	0.805	79%	0.786	S	S	*	*			trans	-79.5	107	168.7	-58.3	175	0	0	0	108	S28 G32	S28-I30 PolarHBondContact O-N 3.01Å; I30-G32 PolarHBondContact O-N 2.87Å
31	L	44.9	Very low	41.1	Very low	159 Å²	159	132 Å²	132	83%	0.832	78%	0.781	S	S	*	*			trans	-79.8	100.1	166.8	-78.1	99	0	0	0	109.5	I29	I29-L31 HydrophobicContact CG2-CD1 3.93Å; I29-L31 HydrophobicContact CG2-CG 4.46Å; I29-L31 PolarHBondContact O-N 3.32Å
32	G	42	Very low	41.3	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	78%	0.776	S	S	*	*			trans	-71.7	125.8	172.8	0	0	0	0	0	111.9	I30 L34	I30-G32 PolarHBondContact O-N 2.87Å; G32-L34 PolarHBondContact O-N 2.61Å
33	S	44.1	Very low	40.9	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	78%	0.78	S	S	*	*			trans	-77.8	104.5	170.2	53.5	0	0	0	0	110.3	V35	S33-V35 PolarHBondContact O-N 3.01Å
34	L	39.7	Very low	41	Very low	172 Å²	172	131.6 Å²	131.6	90%	0.901	78%	0.779	S	S	*	*			trans	-78	110.6	177.7	-167.4	73.5	0	0	0	110.5	G32	G32-L34 PolarHBondContact O-N 2.61Å
35	V	44.7	Very low	40.4	Very low	112 Å²	112	131.2 Å²	131.2	68%	0.679	78%	0.781	S	S	*	*			trans	-88	120.3	170.4	179.2	0	0	0	0	108.7	S33 I37	S33-V35 PolarHBondContact O-N 3.01Å; V35-I37 HydrophobicContact CG1-CG1 4.13Å; V35-I37 PolarHBondContact O-N 3.49Å
36	Y	38	Very low	40.2	Very low	215 Å²	215	133.2 Å²	133.2	84%	0.843	79%	0.791	S	S	*	*			trans	-80.8	105	176.2	-169.5	-85.9	0	0	0	109.6
37	I	42.9	Very low	40.1	Very low	147 Å²	147	131.1 Å²	131.1	75%	0.754	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-100.5	123.3	170	-57.3	-179.9	0	0	0	107	V35	V35-I37 HydrophobicContact CG1-CG1 4.13Å; V35-I37 PolarHBondContact O-N 3.49Å
38	G	36.9	Very low	40	Very low	59 Å²	59	133.3 Å²	133.3	61%	0.608	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-68.3	131.3	177	0	0	0	0	0	111
39	A	38	Very low	39.7	Very low	102 Å²	102	137.8 Å²	137.8	84%	0.843	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89.8	128.9	169.1	0	0	0	0	0	109.4
40	D	41.8	Very low	39.2	Very low	160 Å²	160	134.6 Å²	134.6	86%	0.856	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.6	153.9	170.9	-139.7	-29.9	0	0	0	110.8
41	S	37.2	Very low	38.7	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-96.4	123.5	-166.3	58.4	0	0	0	0	114.6
42	Q	42.2	Very low	38	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	80%	0.804	S	S	*	*			trans	-155.4	161.4	152	-91.4	-48.2	-20.6	0	0	113.4
43	Q	36.1	Very low	37.7	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	80%	0.803	S	S	*	*			trans	-38.5	142.6	-177.8	-62.9	169.4	-30.2	0	0	118.2
44	V	39.7	Very low	37	Very low	140 Å²	140	136.9 Å²	136.9	85%	0.848	81%	0.807	S	S	*	*				-168.1	154.9	88.4	-86.5	0	0	0	0	112.5
45	N	33	Very low	36.6	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	80%	0.798	S	S	*	*			trans	-104.3	129	175.5	-68.7	-25.3	0	0	0	111.5
46	A	36.4	Very low	36	Very low	106 Å²	106	137.5 Å²	137.5	88%	0.876	81%	0.808	S	S	*	*			trans	-165.1	152.2	150.8	0	0	0	0	0	112.8
47	A	36.8	Very low	36	Very low	94 Å²	94	135.1 Å²	135.1	78%	0.777	81%	0.805	S	S	*	*			trans	-35.4	140.5	-178.2	0	0	0	0	0	119.6
48	T	38.4	Very low	35.4	Very low	135 Å²	135	132.5 Å²	132.5	83%	0.828	80%	0.799	S	S	*	*				-163.8	123.3	121.2	-73.2	0	0	0	0	109.8
49	E	33.3	Very low	35.3	Very low	203 Å²	203	135.7 Å²	135.7	95%	0.949	81%	0.807	S	S	*	*			trans	-93.5	106.9	171.2	-65.5	-178.7	123.3	0	0	110.5
50	A	34.9	Very low	35.2	Very low	76 Å²	76	138 Å²	138	63%	0.628	80%	0.8	S	S	*	*			trans	-165.5	149.1	161.4	0	0	0	0	0	112.4
51	T	31.6	Very low	35.1	Very low	141 Å²	141	136.3 Å²	136.3	87%	0.865	80%	0.796	S	S	*	*			trans	43.3	81.1	158.8	42.1	0	0	0	0	117.3
52	N	31	Very low	36	Very low	177 Å²	177	133.6 Å²	133.6	95%	0.947	78%	0.776	S	S	*	*			trans	-120.6	70.3	157.8	-144.3	-12.1	0	0	0	110.3
53	A	34.4	Very low	37.4	Very low	84 Å²	84	129.3 Å²	129.3	69%	0.694	76%	0.756	S	S	*	*			trans	-136.4	138.8	176.7	0	0	0	0	0	109.7
54	T	30.9	Very low	39.8	Very low	144 Å²	144	123.7 Å²	123.7	88%	0.883	74%	0.739	S	S	*	*			trans	62.2	74.6	174.5	-45.8	0	0	0	0	115.7
55	N	31.2	Very low	42.4	Very low	130 Å²	130	118.7 Å²	118.7	70%	0.695	71%	0.709	S	S	*	*			trans	-138.1	48.4	149.6	-153.8	1.3	0	0	0	113.6	Q57	N55-Q57 PolarHBondContact O-N 2.78Å; N55-Q57 WeakPolarHBondContact OD1-CG 3.37Å
56	N	32.5	Very low	45.3	Very low	167 Å²	167	114 Å²	114	89%	0.893	69%	0.689	S	S	*	*			trans	-75.2	61.4	165	-83.7	-20.8	0	0	0	110.6	S58	N56-S58 PolarHBondContact O-N 2.97Å
57	Q	36.5	Very low	48.1	Very low	166 Å²	166	112.5 Å²	112.5	78%	0.776	66%	0.664	S	S	*	*			trans	-70.4	82	161.4	-81.5	-167.7	24.5	0	0	108.9	N55 T59	N55-Q57 PolarHBondContact O-N 2.78Å; N55-Q57 WeakPolarHBondContact OD1-CG 3.37Å; Q57-T59 PolarHBondContact O-N 3.16Å
58	S	30.8	Very low	51	Low	91 Å²	91	112.2 Å²	112.2	64%	0.636	65%	0.654	S	S	*	*			trans	-60.9	107.6	165.8	-180	0	0	0	0	108.2	N56 Q60	N56-S58 PolarHBondContact O-N 2.97Å; S58-Q60 PolarHBondContact O-N 2.83Å
59	T	34.3	Very low	53.9	Low	126 Å²	126	106.3 Å²	106.3	77%	0.773	62%	0.617	S	S	*	*			trans	-61.5	91.1	163.5	23	0	0	0	0	108.1	Q57 V61	Q57-T59 PolarHBondContact O-N 3.16Å; T59-V61 PolarHBondContact O-N 3.21Å
60	Q	35.7	Very low	57	Low	150 Å²	150	100.3 Å²	100.3	70%	0.701	59%	0.592	S	S	*	*			trans	-61.9	85	167.1	-81.4	-81.1	-31.4	0	0	108.4	S58 S62	S58-Q60 PolarHBondContact O-N 2.83Å; Q60-S62 PolarHBondContact O-N 2.92Å; Q60-S62 PolarHBondContact O-OG 3.45Å
61	V	40.1	Very low	60	Low	126 Å²	126	97.3 Å²	97.3	76%	0.764	57%	0.565	S	S	*	*			trans	-58.6	92.2	166.7	179.1	0	0	0	0	106.1	T59 Q63	T59-V61 PolarHBondContact O-N 3.21Å; V61-Q63 PolarHBondContact O-N 3.34Å
62	S	57.2	Low	63.2	Low	40 Å²	40	94 Å²	94	28%	0.28	54%	0.539	S	S	.	.			trans	-65.8	112.1	-166.7	-77.3	0	0	0	0	108.7	Q60 A64 N98	Q60-S62 PolarHBondContact O-N 2.92Å; Q60-S62 PolarHBondContact O-OG 3.45Å; S62-A64 PolarHBondContact O-N 3.29Å; S62-N98 WeakPolarHBondContact CB-OD1 3.11Å; S62-N98 PolarHBondContact OG-ND2 2.94Å; S62-N98 PolarHBondContact OG-OD1 2.87Å
63	Q	70.8	Confident	66.4	Low	83 Å²	83	85.6 Å²	85.6	39%	0.388	49%	0.494	S	S	.	.			trans	-57.9	117	-171.3	-65.3	-159.6	-89.7	0	0	110	V61 A186 A187	V61-Q63 PolarHBondContact O-N 3.34Å; Q63-A186 HydrophobicContact CB-CB 4.3Å; Q63-A186 PolarHBondContact NE2-O 3.32Å; Q63-A186 VanDerWaalsContact NE2-O 3.13Å; Q63-A187 PolarHBondContact NE2-O 2.81Å
64	A	87	Confident	69.4	Low	51 Å²	51	83.2 Å²	83.2	42%	0.421	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.9	-174.6	0	0	0	0	0	109.6	S62 I95 K96 Q97	S62-A64 PolarHBondContact O-N 3.29Å; A64-I95 HydrophobicContact CB-CG2 4.32Å; A64-K96 CarbonylContact C-O 3.57Å; A64-K96 VanDerWaalsContact CA-O 3.27Å; A64-K96 WeakPolarHBondContact CA-O 3.3Å; A64-Q97 HydrophobicContact CB-CB 4.06Å; A64-Q97 HydrophobicContact CB-CG 4.38Å
65	T	92.9	Very high	72.6	Confident	35 Å²	35	78.3 Å²	78.3	22%	0.215	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.5	169.3	-49.5	0	0	0	0	107.9	I95 K96 L183 A184 A186	T65-I95 CarbonylContact O-C 3.51Å; T65-I95 WeakPolarHBondContact O-CA 3.48Å; T65-K96 PolarHBondContact N-O 3.46Å; T65-K96 PolarHBondContact O-N 3.13Å; T65-L183 HydrophobicContact CG2-CB 4.1Å; T65-L183 HydrophobicContact CG2-CD1 4.2Å; T65-A184 WeakPolarHBondContact CB-O 3.26Å; T65-A184 PolarHBondContact OG1-O 2.84Å; T65-A186 PolarHBondContact OG1-N 3.22Å
66	S	95.1	Very high	75.7	Confident	68 Å²	68	75.5 Å²	75.5	48%	0.476	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.1	174.2	74.4	0	0	0	0	113.4	V94	S66-V94 CarbonylContact C-O 3.51Å; S66-V94 WeakPolarHBondContact CA-O 3.27Å; S66-V94 VanDerWaalsContact CB-O 3.28Å; S66-V94 WeakPolarHBondContact CB-O 3.35Å
67	Q	95.5	Very high	78.7	Confident	76 Å²	76	71.2 Å²	71.2	36%	0.355	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.6	175	59.1	160.5	91	0	0	110.6	K93 V94 L183	Q67-K93 CarbonylContact O-C 3.53Å; Q67-K93 VanDerWaalsContact O-CA 3.31Å; Q67-K93 WeakPolarHBondContact O-CA 3.22Å; Q67-K93 WeakPolarHBondContact O-CG 3.33Å; Q67-V94 HydrophobicContact CG-CB 4.32Å; Q67-V94 PolarHBondContact N-O 3.08Å; Q67-V94 PolarHBondContact O-N 3.27Å; Q67-L183 HydrophobicContact CG-CD1 4.49Å; Q67-L183 HydrophobicContact CG-CD2 3.89Å; Q67-L183 VanDerWaalsContact OE1-CD2 3.23Å
68	P	97.8	Very high	81.5	Confident	88 Å²	88	65.5 Å²	65.5	57%	0.571	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	156.1	169.4	28.6	-35.4	0	0	0	111.8	P91 G92	P68-P91 HydrophobicContact CB-CB 4.02Å; P68-P91 HydrophobicContact CB-CG 3.88Å; P68-G92 CarbonylContact C-O 3.54Å; P68-G92 WeakPolarHBondContact CA-O 3.38Å
69	I	97.9	Very high	84.6	Confident	11 Å²	11	65.6 Å²	65.6	6%	0.056	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	126.9	167.7	-166.8	169	0	0	0	109.4	G92 V94 F103 F176 I180	I69-G92 PolarHBondContact N-O 2.79Å; I69-G92 CarbonylContact O-C 3.58Å; I69-G92 WeakPolarHBondContact O-CA 3.43Å; I69-G92 PolarHBondContact O-N 3.05Å; I69-V94 HydrophobicContact CB-CG2 3.94Å; I69-V94 HydrophobicContact CD1-CG2 3.8Å; I69-V94 HydrophobicContact CG1-CG2 4.49Å; I69-V94 HydrophobicContact CG2-CG2 3.71Å; I69-F103 HydrophobicContact CG2-CD2 3.92Å; I69-F103 HydrophobicContact CG2-CE2 3.86Å; I69-F176 HydrophobicContact CD1-CB 3.99Å; I69-F176 HydrophobicContact CD1-CD1 3.95Å; I69-F176 HydrophobicContact CD1-CG 4.02Å; I69-F176 HydrophobicContact CG1-CB 4.49Å; I69-F176 HydrophobicContact CG1-CD1 4.38Å; I69-I180 HydrophobicContact CD1-CD1 3.85Å
70	N	98.3	Very high	87.6	Confident	77 Å²	77	64.6 Å²	64.6	41%	0.412	38%	0.381	S	S	.	.			trans	-77.4	150.2	170.9	-61.5	-60.4	0	0	0	109.9	E177	N70-E177 HydrophobicContact CB-CB 3.85Å; N70-E177 HydrophobicContact CB-CG 4.34Å; N70-E177 WeakPolarHBondContact CB-OE2 3.42Å; N70-E177 PolarHBondContact ND2-OE2 3.04Å; N70-E177 WeakPolarHBondContact O-CB 3.07Å; N70-E177 PolarHBondContact O-N 3.46Å
71	F	98.5	Very high	90.5	Very high	13 Å²	13	61.7 Å²	61.7	6%	0.057	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167.9	175	64.4	-87.8	0	0	0	109.5	V73 M88 Q89 H90 F103 L174 E175 F176	F71-V73 HydrophobicContact CD2-CG2 4.3Å; F71-V73 HydrophobicContact CE2-CG2 4.18Å; F71-M88 HydrophobicContact CE2-CB 4Å; F71-M88 HydrophobicContact CE2-CE 4.03Å; F71-M88 HydrophobicContact CE2-SD 4.3Å; F71-M88 HydrophobicContact CZ-CB 3.87Å; F71-M88 HydrophobicContact CZ-CE 4.13Å; F71-Q89 WeakPolarHBondContact CE1-O 3.09Å; F71-Q89 WeakPolarHBondContact CZ-O 3.5Å; F71-H90 AromaticContact CD2-CD2 3.99Å; F71-H90 AromaticContact CD2-NE2 3.92Å; F71-H90 AromaticContact CE1-CD2 3.78Å; F71-H90 AromaticContact CE2-CD2 3.67Å; F71-H90 AromaticContact CE2-NE2 3.42Å; F71-H90 WeakPolarHBondContact CE2-NE2 3.45Å; F71-H90 AromaticContact CZ-CD2 3.54Å; F71-H90 AromaticContact CZ-NE2 3.67Å; F71-H90 PolarHBondContact O-CD2 2.81Å; F71-H90 VanDerWaalsContact O-CD2 3.27Å; F71-F103 AromaticContact CD1-CE2 3.96Å; F71-F103 HydrophobicContact CD1-CE2 3.96Å; F71-F103 AromaticContact CD1-CZ 3.66Å; F71-F103 HydrophobicContact CD1-CZ 3.66Å; F71-F103 HydrophobicContact CE1-CE2 4.35Å; F71-F103 AromaticContact CE1-CZ 3.85Å; F71-F103 HydrophobicContact CE1-CZ 3.85Å; F71-F103 HydrophobicContact CG-CZ 4.12Å; F71-F103 HydrophobicContact CZ-CZ 4.45Å; F71-L174 HydrophobicContact CB-CD2 3.64Å; F71-L174 HydrophobicContact CB-CG 4.2Å; F71-L174 HydrophobicContact CD2-CD1 3.83Å; F71-L174 HydrophobicContact CD2-CD2 4.1Å; F71-L174 HydrophobicContact CD2-CG 3.77Å; F71-L174 HydrophobicContact CE2-CD1 4.16Å; F71-L174 HydrophobicContact CG-CD1 4.38Å; F71-L174 HydrophobicContact CG-CD2 4.01Å; F71-L174 HydrophobicContact CG-CG 4.21Å; F71-E175 CarbonylContact C-O 3.5Å; F71-E175 WeakPolarHBondContact CA-O 3.43Å; F71-E175 WeakPolarHBondContact CB-O 3.34Å; F71-F176 HydrophobicContact CB-CD1 4.02Å
72	Q	98.5	Very high	93.3	Very high	71 Å²	71	56.3 Å²	56.3	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.3	166.7	-179.7	178.6	89	0	0	108.7	Q74 K81 D85 E175	Q72-Q74 HydrophobicContact CG-CG 4.12Å; Q72-K81 HydrophobicContact CG-CB 4.37Å; Q72-D85 WeakPolarHBondContact CA-OD1 3.47Å; Q72-E175 PolarHBondContact N-O 3.37Å; Q72-E175 PolarHBondContact O-N 3.2Å
73	V	98.5	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.8	167.4	-168.4	0	0	0	0	109	F71 S82 M84 D85 M88 T172 H173 L174	F71-V73 HydrophobicContact CD2-CG2 4.3Å; F71-V73 HydrophobicContact CE2-CG2 4.18Å; V73-S82 WeakPolarHBondContact O-CB 3.45Å; V73-S82 PolarHBondContact O-N 3.23Å; V73-M84 HydrophobicContact CG1-CB 4.05Å; V73-M84 HydrophobicContact CG1-CE 4.16Å; V73-M84 HydrophobicContact CG1-CG 4Å; V73-M84 HydrophobicContact CG1-SD 3.92Å; V73-M84 HydrophobicContact CG2-CE 4.44Å; V73-D85 HydrophobicContact CB-CB 3.89Å; V73-D85 HydrophobicContact CG2-CB 4.27Å; V73-D85 PolarHBondContact N-OD1 3.25Å; V73-M88 HydrophobicContact CG2-SD 3.73Å; V73-T172 HydrophobicContact CG1-CG2 4Å; V73-H173 CarbonylContact C-O 3.53Å; V73-H173 WeakPolarHBondContact CA-O 3.32Å; V73-L174 HydrophobicContact CG2-CB 4.46Å; V73-L174 HydrophobicContact CG2-CD1 4.23Å; V73-L174 HydrophobicContact CG2-CG 4.27Å
74	Q	98.2	Very high	96.3	Very high	35 Å²	35	52.6 Å²	52.6	16%	0.164	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	160.4	180	-66.2	-178.3	-7.6	0	0	111.5	Q72 S79 E80 T172 H173 E175	Q72-Q74 HydrophobicContact CG-CG 4.12Å; Q74-S79 PolarHBondContact NE2-O 2.93Å; Q74-E80 CarbonylContact C-O 3.59Å; Q74-E80 WeakPolarHBondContact CA-O 3.49Å; Q74-E80 WeakPolarHBondContact CB-O 3.21Å; Q74-T172 VanDerWaalsContact O-CB 3.27Å; Q74-T172 WeakPolarHBondContact O-CB 3.48Å; Q74-H173 PolarHBondContact N-O 3.49Å; Q74-H173 PolarHBondContact O-N 2.82Å; Q74-H173 VanDerWaalsContact O-N 3.14Å; Q74-E175 HydrophobicContact CG-CG 4.41Å
75	K	97.9	Very high	96.9	Very high	41 Å²	41	50.6 Å²	50.6	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	154	-178.3	-65.4	-178.9	-177	176.6	0	111.2	G77 S78 E80 K81 E312	K75-G77 PolarHBondContact O-N 2.87Å; K75-S78 PolarHBondContact O-N 2.93Å; K75-E80 HydrophobicContact CD-CB 3.85Å; K75-E80 WeakPolarHBondContact CD-OE2 3.46Å; K75-E80 WeakPolarHBondContact CE-OE2 3.43Å; K75-E80 HydrophobicContact CG-CB 4.23Å; K75-E80 PolarHBondContact N-O 3.39Å; K75-E80 IonicContact NZ-OE2 2.7Å; K75-E80 PolarHBondContact NZ-OE2 3.08Å; K75-K81 WeakPolarHBondContact CE-O 3.46Å; K75-E312 WeakPolarHBondContact CE-OE1 3.31Å; K75-E312 IonicContact NZ-OE1 3.43Å; K75-E312 PolarHBondContact NZ-OE1 3.05Å
76	D	96.6	Very high	97.1	Very high	70 Å²	70	52.2 Å²	52.2	37%	0.374	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	124.2	172	-170.9	21.2	0	0	0	110.1	S78 H173	D76-S78 VanDerWaalsContact C-N 3.31Å; D76-S78 PolarHBondContact O-N 3.03Å; D76-H173 IonicContact OD1-NE2 2.77Å
77	G	94.3	Very high	97.2	Very high	77 Å²	77	49.6 Å²	49.6	79%	0.794	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	12.4	-179.9	0	0	0	0	0	117.3	K75	K75-G77 PolarHBondContact O-N 2.87Å
78	S	95.2	Very high	97.4	Very high	46 Å²	46	46.1 Å²	46.1	32%	0.322	27%	0.266	S	S	.	.	S	Bend	trans	-148.3	146.2	178.3	179.1	0	0	0	0	112.3	K75 D76 E80	K75-S78 PolarHBondContact O-N 2.93Å; D76-S78 VanDerWaalsContact C-N 3.31Å; D76-S78 PolarHBondContact O-N 3.03Å; S78-E80 PolarHBondContact O-N 3.12Å; S78-E80 PolarHBondContact OG-N 3.3Å
79	S	96.1	Very high	97.4	Very high	93 Å²	93	45.8 Å²	45.8	65%	0.65	26%	0.257	S	S	*	.	S	Bend	trans	-79.4	7.5	173.9	59.8	0	0	0	0	114.4	Q74	Q74-S79 PolarHBondContact NE2-O 2.93Å
80	E	97.4	Very high	97.4	Very high	106 Å²	106	49.1 Å²	49.1	50%	0.495	27%	0.272	S	S	.	.	S	Bend	trans	-61.4	135.9	167.9	-81	176.2	-128.8	0	0	111.7	Q74 K75 S78 S82	Q74-E80 CarbonylContact C-O 3.59Å; Q74-E80 WeakPolarHBondContact CA-O 3.49Å; Q74-E80 WeakPolarHBondContact CB-O 3.21Å; K75-E80 HydrophobicContact CD-CB 3.85Å; K75-E80 WeakPolarHBondContact CD-OE2 3.46Å; K75-E80 WeakPolarHBondContact CE-OE2 3.43Å; K75-E80 HydrophobicContact CG-CB 4.23Å; K75-E80 PolarHBondContact N-O 3.39Å; K75-E80 IonicContact NZ-OE2 2.7Å; K75-E80 PolarHBondContact NZ-OE2 3.08Å; S78-E80 PolarHBondContact O-N 3.12Å; S78-E80 PolarHBondContact OG-N 3.3Å; E80-S82 PolarHBondContact O-N 2.9Å
81	K	97.4	Very high	97.4	Very high	88 Å²	88	48.9 Å²	48.9	38%	0.383	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-54.1	128.2	167.2	168.9	167.3	162.2	143.9	0	110.5	Q72 K75 D85 D86	Q72-K81 HydrophobicContact CG-CB 4.37Å; K75-K81 WeakPolarHBondContact CE-O 3.46Å; K81-D85 HydrophobicContact CD-CB 4.23Å; K81-D85 VanDerWaalsContact CE-OD2 3.31Å; K81-D85 WeakPolarHBondContact CE-OD2 3.34Å; K81-D85 HydrophobicContact CG-CB 4.1Å; K81-D85 IonicContact NZ-OD2 3.57Å; K81-D85 PolarHBondContact NZ-OD2 2.67Å; K81-D86 VanDerWaalsContact CE-OD1 3.24Å; K81-D86 WeakPolarHBondContact CE-OD1 3.28Å; K81-D86 IonicContact NZ-OD1 3.19Å; K81-D86 PolarHBondContact NZ-OD1 3.1Å
82	S	97.3	Very high	97.3	Very high	14 Å²	14	48.4 Å²	48.4	10%	0.098	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82.6	144.9	170.3	-179.5	0	0	0	0	110.2	V73 E80 M84 D85	V73-S82 WeakPolarHBondContact O-CB 3.45Å; V73-S82 PolarHBondContact O-N 3.23Å; E80-S82 PolarHBondContact O-N 2.9Å; S82-M84 PolarHBondContact O-N 3.48Å; S82-M84 VanDerWaalsContact O-N 3.16Å; S82-M84 PolarHBondContact OG-N 3.29Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 2.77Å
83	H	95.3	Very high	97.3	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.185	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65.6	-14.6	173.2	-166.8	37.7	0	0	0	112.8	D85 D86 Y87 L313	H83-D85 PolarHBondContact O-N 2.82Å; H83-D86 WeakPolarHBondContact CE1-CB 3.24Å; H83-D86 IonicContact CE1-OD1 2.81Å; H83-D86 CovalentContact CE1-OD2 1.76Å; H83-D86 IonicContact CE1-OD2 2.71Å; H83-D86 PolarHBondContact CE1-OD2 3.07Å; H83-D86 IonicContact CG-OD2 3.2Å; H83-D86 IonicContact ND1-OD2 3.89Å; H83-D86 PolarHBondContact ND1-OD2 2.85Å; H83-D86 IonicContact NE2-OD2 3.92Å; H83-D86 PolarHBondContact NE2-OD2 3.44Å; H83-D86 PolarHBondContact O-N 2.83Å; H83-Y87 WeakPolarHBondContact O-CD2 3.49Å; H83-L313 PolarHBondContact CD2-O 3.28Å; H83-L313 VanDerWaalsContact CD2-O 3.28Å
84	M	97.3	Very high	97.2	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.025	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28.5	168.2	175.9	176.5	154.7	0	0	112.8	V73 S82 D86 Y87 M88 W113 T155 V157 T172	V73-M84 HydrophobicContact CG1-CB 4.05Å; V73-M84 HydrophobicContact CG1-CE 4.16Å; V73-M84 HydrophobicContact CG1-CG 4Å; V73-M84 HydrophobicContact CG1-SD 3.92Å; V73-M84 HydrophobicContact CG2-CE 4.44Å; S82-M84 PolarHBondContact O-N 3.48Å; S82-M84 VanDerWaalsContact O-N 3.16Å; S82-M84 PolarHBondContact OG-N 3.29Å; M84-D86 VanDerWaalsContact C-N 3.28Å; M84-D86 PolarHBondContact O-N 3.13Å; M84-Y87 PolarHBondContact O-N 2.85Å; M84-Y87 VanDerWaalsContact O-N 3.13Å; M84-M88 HydrophobicContact CE-SD 3.8Å; M84-W113 HydrophobicContact CE-CH2 3.9Å; M84-W113 HydrophobicContact CE-CZ3 3.93Å; M84-W113 HydrophobicContact CG-CH2 3.99Å; M84-W113 HydrophobicContact SD-CH2 4.45Å; M84-T155 HydrophobicContact CE-CG2 4.04Å; M84-T155 WeakPolarHBondContact CE-OG1 3.42Å; M84-V157 HydrophobicContact CE-CG1 4.04Å; M84-V157 HydrophobicContact SD-CG1 4.14Å; M84-V157 HydrophobicContact SD-CG2 4.12Å; M84-T172 HydrophobicContact CB-CG2 4.43Å; M84-T172 HydrophobicContact SD-CG2 3.89Å; M84-T172 PolarHBondContact SD-OG1 3.43Å
85	D	98.1	Very high	97.2	Very high	8 Å²	8	48 Å²	48	4%	0.043	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.5	-40.3	178.1	-167.4	61.4	0	0	0	111.5	Q72 V73 K81 S82 H83 Y87 M88 H90	Q72-D85 WeakPolarHBondContact CA-OD1 3.47Å; V73-D85 HydrophobicContact CB-CB 3.89Å; V73-D85 HydrophobicContact CG2-CB 4.27Å; V73-D85 PolarHBondContact N-OD1 3.25Å; K81-D85 HydrophobicContact CD-CB 4.23Å; K81-D85 VanDerWaalsContact CE-OD2 3.31Å; K81-D85 WeakPolarHBondContact CE-OD2 3.34Å; K81-D85 HydrophobicContact CG-CB 4.1Å; K81-D85 IonicContact NZ-OD2 3.57Å; K81-D85 PolarHBondContact NZ-OD2 2.67Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 2.77Å; H83-D85 PolarHBondContact O-N 2.82Å; D85-Y87 PolarHBondContact O-N 2.69Å; D85-M88 PolarHBondContact O-N 3.36Å; D85-H90 PolarHBondContact O-CE1 2.93Å; D85-H90 VanDerWaalsContact O-CE1 3.28Å; D85-H90 IonicContact OD1-CE1 2.75Å; D85-H90 IonicContact OD1-NE2 2.72Å; D85-H90 PolarHBondContact OD1-NE2 3.02Å; D85-H90 IonicContact OD2-CE1 1.76Å; D85-H90 IonicContact OD2-NE2 2.68Å; D85-H90 PolarHBondContact OD2-NE2 3.07Å
86	D	97.6	Very high	97.1	Very high	70 Å²	70	46.5 Å²	46.5	37%	0.374	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-69.1	-15.6	-179.3	-57.3	-45.9	0	0	0	113.2	K81 H83 M84	K81-D86 VanDerWaalsContact CE-OD1 3.24Å; K81-D86 WeakPolarHBondContact CE-OD1 3.28Å; K81-D86 IonicContact NZ-OD1 3.19Å; K81-D86 PolarHBondContact NZ-OD1 3.1Å; H83-D86 WeakPolarHBondContact CE1-CB 3.24Å; H83-D86 IonicContact CE1-OD1 2.81Å; H83-D86 CovalentContact CE1-OD2 1.76Å; H83-D86 IonicContact CE1-OD2 2.71Å; H83-D86 PolarHBondContact CE1-OD2 3.07Å; H83-D86 IonicContact CG-OD2 3.2Å; H83-D86 IonicContact ND1-OD2 3.89Å; H83-D86 PolarHBondContact ND1-OD2 2.85Å; H83-D86 IonicContact NE2-OD2 3.92Å; H83-D86 PolarHBondContact NE2-OD2 3.44Å; H83-D86 PolarHBondContact O-N 2.83Å; M84-D86 VanDerWaalsContact C-N 3.28Å; M84-D86 PolarHBondContact O-N 3.13Å
87	Y	97.8	Very high	96.9	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.047	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-92.2	7.4	173.8	-70.1	-96.3	0	0	0	113	H83 M84 D85 N108 N109 F112 L313 P314 T316	H83-Y87 WeakPolarHBondContact O-CD2 3.49Å; M84-Y87 PolarHBondContact O-N 2.85Å; M84-Y87 VanDerWaalsContact O-N 3.13Å; D85-Y87 PolarHBondContact O-N 2.69Å; Y87-N108 PolarHBondContact O-N 2.8Å; Y87-N109 HydrophobicContact CD1-CB 4.22Å; Y87-N109 WeakPolarHBondContact CD1-ND2 3.32Å; Y87-N109 HydrophobicContact CE1-CB 4.29Å; Y87-N109 WeakPolarHBondContact CE1-ND2 3.35Å; Y87-F112 HydrophobicContact CE1-CD2 4.19Å; Y87-F112 HydrophobicContact CE1-CE2 4.37Å; Y87-L313 HydrophobicContact CD2-CD2 3.76Å; Y87-L313 HydrophobicContact CE2-CB 4.31Å; Y87-L313 HydrophobicContact CE2-CD2 3.72Å; Y87-L313 HydrophobicContact CG-CD2 4.44Å; Y87-P314 PolarHBondContact OH-O 3.21Å; Y87-T316 PolarHBondContact OH-OG1 3.45Å
88	M	98.4	Very high	96.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.02	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-121.3	153.5	174.5	-60.2	-177.2	61.9	0	0	110.2	F71 V73 M84 D85 H90 T105 V106 L107 W113 L174	F71-M88 HydrophobicContact CE2-CB 4Å; F71-M88 HydrophobicContact CE2-CE 4.03Å; F71-M88 HydrophobicContact CE2-SD 4.3Å; F71-M88 HydrophobicContact CZ-CB 3.87Å; F71-M88 HydrophobicContact CZ-CE 4.13Å; V73-M88 HydrophobicContact CG2-SD 3.73Å; M84-M88 HydrophobicContact CE-SD 3.8Å; D85-M88 PolarHBondContact O-N 3.36Å; M88-H90 PolarHBondContact O-ND1 2.89Å; M88-T105 HydrophobicContact CE-CG2 3.59Å; M88-T105 WeakPolarHBondContact CE-OG1 3.37Å; M88-V106 WeakPolarHBondContact CA-O 3.14Å; M88-L107 HydrophobicContact CE-CD2 4.18Å; M88-L107 HydrophobicContact CG-CD2 4.07Å; M88-L107 HydrophobicContact SD-CD2 4.44Å; M88-W113 HydrophobicContact CG-CH2 3.98Å; M88-W113 HydrophobicContact CG-CZ2 4.18Å; M88-W113 HydrophobicContact SD-CH2 4.25Å; M88-L174 HydrophobicContact CE-CD1 3.73Å; M88-L174 HydrophobicContact SD-CD1 4.3Å
89	Q	98.2	Very high	96.4	Very high	81 Å²	81	50.8 Å²	50.8	38%	0.379	26%	0.263	S	S	.	.			trans	-93.2	136.8	178.1	-61.4	-175.6	2.8	0	0	112	F71 V106 N108	F71-Q89 WeakPolarHBondContact CE1-O 3.09Å; F71-Q89 WeakPolarHBondContact CZ-O 3.5Å; Q89-V106 HydrophobicContact CB-CB 4.08Å; Q89-V106 HydrophobicContact CG-CB 3.91Å; Q89-V106 HydrophobicContact CG-CG1 4.27Å; Q89-V106 PolarHBondContact N-O 2.78Å; Q89-N108 VanDerWaalsContact CG-OD1 3.26Å; Q89-N108 WeakPolarHBondContact CG-OD1 3.34Å; Q89-N108 PolarHBondContact NE2-OD1 2.9Å
90	H	98.1	Very high	96.4	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.375	26%	0.26	S	S	.	.	S	Bend	trans	-115.7	146.3	177.4	-47.7	79.4	0	0	0	111.3	F71 D85 M88	F71-H90 AromaticContact CD2-CD2 3.99Å; F71-H90 AromaticContact CD2-NE2 3.92Å; F71-H90 AromaticContact CE1-CD2 3.78Å; F71-H90 AromaticContact CE2-CD2 3.67Å; F71-H90 AromaticContact CE2-NE2 3.42Å; F71-H90 WeakPolarHBondContact CE2-NE2 3.45Å; F71-H90 AromaticContact CZ-CD2 3.54Å; F71-H90 AromaticContact CZ-NE2 3.67Å; F71-H90 PolarHBondContact O-CD2 2.81Å; F71-H90 VanDerWaalsContact O-CD2 3.27Å; D85-H90 PolarHBondContact O-CE1 2.93Å; D85-H90 VanDerWaalsContact O-CE1 3.28Å; D85-H90 IonicContact OD1-CE1 2.75Å; D85-H90 IonicContact OD1-NE2 2.72Å; D85-H90 PolarHBondContact OD1-NE2 3.02Å; D85-H90 IonicContact OD2-CE1 1.76Å; D85-H90 IonicContact OD2-NE2 2.68Å; D85-H90 PolarHBondContact OD2-NE2 3.07Å; M88-H90 PolarHBondContact O-ND1 2.89Å
91	P	97.6	Very high	96.4	Very high	71 Å²	71	48.8 Å²	48.8	46%	0.461	24%	0.24	S	C	.	.	S	Bend	cis	-67.3	155.4	-12.5	30.9	-36	0	0	0	111.4	P68	P68-P91 HydrophobicContact CB-CB 4.02Å; P68-P91 HydrophobicContact CB-CG 3.88Å
92	G	97.7	Very high	96.4	Very high	4 Å²	4	47 Å²	47	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-173.3	161.1	0	0	0	0	0	110.5	P68 I69 Q104	P68-G92 CarbonylContact C-O 3.54Å; P68-G92 WeakPolarHBondContact CA-O 3.38Å; I69-G92 PolarHBondContact N-O 2.79Å; I69-G92 CarbonylContact O-C 3.58Å; I69-G92 WeakPolarHBondContact O-CA 3.43Å; I69-G92 PolarHBondContact O-N 3.05Å; G92-Q104 WeakPolarHBondContact CA-O 3.42Å
93	K	97.7	Very high	96.5	Very high	80 Å²	80	46.3 Å²	46.3	35%	0.348	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.6	-176.9	-177.4	-164	-58.1	162.3	0	111.2	Q67 I95 Q104	Q67-K93 CarbonylContact O-C 3.53Å; Q67-K93 VanDerWaalsContact O-CA 3.31Å; Q67-K93 WeakPolarHBondContact O-CA 3.22Å; Q67-K93 WeakPolarHBondContact O-CG 3.33Å; K93-I95 HydrophobicContact CD-CD1 4.04Å; K93-I95 HydrophobicContact CD-CG1 3.85Å; K93-I95 HydrophobicContact CG-CG1 4.09Å; K93-Q104 HydrophobicContact CB-CB 4.25Å; K93-Q104 PolarHBondContact N-O 3.45Å; K93-Q104 PolarHBondContact O-N 2.97Å
94	V	98	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.4	167	-176.7	0	0	0	0	108.4	S66 Q67 I69 Y101 Y102 I180 L183	S66-V94 CarbonylContact C-O 3.51Å; S66-V94 WeakPolarHBondContact CA-O 3.27Å; S66-V94 VanDerWaalsContact CB-O 3.28Å; S66-V94 WeakPolarHBondContact CB-O 3.35Å; Q67-V94 HydrophobicContact CG-CB 4.32Å; Q67-V94 PolarHBondContact N-O 3.08Å; Q67-V94 PolarHBondContact O-N 3.27Å; I69-V94 HydrophobicContact CB-CG2 3.94Å; I69-V94 HydrophobicContact CD1-CG2 3.8Å; I69-V94 HydrophobicContact CG1-CG2 4.49Å; I69-V94 HydrophobicContact CG2-CG2 3.71Å; V94-Y101 HydrophobicContact CG1-CD1 4.26Å; V94-Y102 WeakPolarHBondContact CA-O 3.3Å; V94-I180 HydrophobicContact CG1-CG2 3.99Å; V94-I180 HydrophobicContact CG2-CD1 3.65Å; V94-L183 HydrophobicContact CG1-CD1 4.09Å
95	I	97.1	Very high	96.7	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.087	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.7	175.5	-53.4	177	0	0	0	108.6	A64 T65 K93 Q97 Y101 Y102 Q104	A64-I95 HydrophobicContact CB-CG2 4.32Å; T65-I95 CarbonylContact O-C 3.51Å; T65-I95 WeakPolarHBondContact O-CA 3.48Å; K93-I95 HydrophobicContact CD-CD1 4.04Å; K93-I95 HydrophobicContact CD-CG1 3.85Å; K93-I95 HydrophobicContact CG-CG1 4.09Å; I95-Q97 HydrophobicContact CG2-CB 4.24Å; I95-Y101 CarbonylContact O-C 3.45Å; I95-Y101 WeakPolarHBondContact O-CA 3.14Å; I95-Y102 PolarHBondContact N-O 3.06Å; I95-Y102 PolarHBondContact O-N 3.02Å; I95-Q104 HydrophobicContact CD1-CB 3.86Å; I95-Q104 HydrophobicContact CD1-CG 4.39Å; I95-Q104 HydrophobicContact CG1-CB 4.36Å
96	K	96.1	Very high	96.7	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.7	163.3	-176.4	-169	-170.8	-175.4	0	108.3	A64 T65 N99 K100 Y101 L183 D185	A64-K96 CarbonylContact C-O 3.57Å; A64-K96 VanDerWaalsContact CA-O 3.27Å; A64-K96 WeakPolarHBondContact CA-O 3.3Å; T65-K96 PolarHBondContact N-O 3.46Å; T65-K96 PolarHBondContact O-N 3.13Å; K96-N99 WeakPolarHBondContact CE-OD1 3.29Å; K96-N99 PolarHBondContact NZ-OD1 3.28Å; K96-K100 CarbonylContact C-O 3.55Å; K96-K100 WeakPolarHBondContact CA-O 3.3Å; K96-Y101 HydrophobicContact CB-CD1 4.08Å; K96-Y101 HydrophobicContact CB-CE1 3.86Å; K96-Y101 HydrophobicContact CD-CE1 4.18Å; K96-Y101 HydrophobicContact CD-CE2 4.12Å; K96-Y101 HydrophobicContact CG-CD1 4.42Å; K96-Y101 HydrophobicContact CG-CD2 4.36Å; K96-Y101 HydrophobicContact CG-CE1 4.03Å; K96-Y101 HydrophobicContact CG-CE2 3.97Å; K96-L183 HydrophobicContact CB-CB 3.89Å; K96-L183 HydrophobicContact CB-CD1 3.95Å; K96-L183 HydrophobicContact CB-CG 4.32Å; K96-L183 HydrophobicContact CD-CB 4.07Å; K96-L183 VanDerWaalsContact CD-O 3.22Å; K96-L183 WeakPolarHBondContact CD-O 3.48Å; K96-L183 PolarHBondContact NZ-O 3.06Å; K96-D185 WeakPolarHBondContact CE-OD1 3.18Å; K96-D185 IonicContact NZ-OD1 2.78Å; K96-D185 PolarHBondContact NZ-OD1 3.02Å; K96-D185 IonicContact NZ-OD2 3.67Å; K96-D185 PolarHBondContact NZ-OD2 3.23Å
97	Q	92.7	Very high	96.8	Very high	67 Å²	67	43 Å²	43	31%	0.313	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.9	178.8	170.5	175	-10.4	0	0	109.6	A64 I95 N99 K100 Y102	A64-Q97 HydrophobicContact CB-CB 4.06Å; A64-Q97 HydrophobicContact CB-CG 4.38Å; I95-Q97 HydrophobicContact CG2-CB 4.24Å; Q97-N99 PolarHBondContact O-N 3.38Å; Q97-K100 PolarHBondContact N-O 3.36Å; Q97-K100 PolarHBondContact O-N 2.76Å; Q97-Y102 HydrophobicContact CB-CE2 4.44Å
98	N	89.4	Confident	96.8	Very high	105 Å²	105	44.2 Å²	44.2	56%	0.561	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	41.9	-175.3	-53.9	94.8	0	0	0	112.7	S62 K100	S62-N98 WeakPolarHBondContact CB-OD1 3.11Å; S62-N98 PolarHBondContact OG-ND2 2.94Å; S62-N98 PolarHBondContact OG-OD1 2.87Å; N98-K100 PolarHBondContact O-N 2.78Å; N98-K100 VanDerWaalsContact O-N 3.16Å
99	N	89.3	Confident	96.7	Very high	110 Å²	110	46.8 Å²	46.8	59%	0.588	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	16.1	-173.6	-157.8	45.2	0	0	0	116.5	K96 Q97	K96-N99 WeakPolarHBondContact CE-OD1 3.29Å; K96-N99 PolarHBondContact NZ-OD1 3.28Å; Q97-N99 PolarHBondContact O-N 3.38Å
100	K	95.4	Very high	96.7	Very high	135 Å²	135	43 Å²	43	59%	0.587	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.1	167.6	-64.9	-176.2	177.3	-176	0	110.2	K96 Q97 N98 Y102	K96-K100 CarbonylContact C-O 3.55Å; K96-K100 WeakPolarHBondContact CA-O 3.3Å; Q97-K100 PolarHBondContact N-O 3.36Å; Q97-K100 PolarHBondContact O-N 2.76Å; N98-K100 PolarHBondContact O-N 2.78Å; N98-K100 VanDerWaalsContact O-N 3.16Å; K100-Y102 HydrophobicContact CB-CE2 3.85Å; K100-Y102 WeakPolarHBondContact CB-OH 3.44Å; K100-Y102 WeakPolarHBondContact CD-OH 3.36Å
101	Y	97.7	Very high	96.7	Very high	22 Å²	22	42.9 Å²	42.9	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.5	-179.5	-72.6	-101.7	0	0	0	111.3	V94 I95 K96 V146 P148 P181 L183	V94-Y101 HydrophobicContact CG1-CD1 4.26Å; I95-Y101 CarbonylContact O-C 3.45Å; I95-Y101 WeakPolarHBondContact O-CA 3.14Å; K96-Y101 HydrophobicContact CB-CD1 4.08Å; K96-Y101 HydrophobicContact CB-CE1 3.86Å; K96-Y101 HydrophobicContact CD-CE1 4.18Å; K96-Y101 HydrophobicContact CD-CE2 4.12Å; K96-Y101 HydrophobicContact CG-CD1 4.42Å; K96-Y101 HydrophobicContact CG-CD2 4.36Å; K96-Y101 HydrophobicContact CG-CE1 4.03Å; K96-Y101 HydrophobicContact CG-CE2 3.97Å; Y101-V146 WeakPolarHBondContact CB-O 3.18Å; Y101-V146 PolarHBondContact O-N 3.29Å; Y101-V146 VanDerWaalsContact O-N 3.07Å; Y101-P148 HydrophobicContact CD1-CG 4.09Å; Y101-P148 HydrophobicContact CD2-CG 3.88Å; Y101-P148 HydrophobicContact CE1-CG 3.82Å; Y101-P148 HydrophobicContact CE2-CG 3.61Å; Y101-P148 HydrophobicContact CG-CG 4.11Å; Y101-P181 WeakPolarHBondContact CE1-O 3.25Å; Y101-L183 HydrophobicContact CE1-CB 4.13Å; Y101-L183 HydrophobicContact CE1-CG 4.06Å; Y101-L183 PolarHBondContact OH-N 3.22Å; Y101-L183 PolarHBondContact OH-O 2.81Å
102	Y	98.3	Very high	96.7	Very high	50 Å²	50	41.2 Å²	41.2	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.9	178.9	-51.5	-85.1	0	0	0	110.6	V94 I95 Q97 K100 N143 V144 A145	V94-Y102 WeakPolarHBondContact CA-O 3.3Å; I95-Y102 PolarHBondContact N-O 3.06Å; I95-Y102 PolarHBondContact O-N 3.02Å; Q97-Y102 HydrophobicContact CB-CE2 4.44Å; K100-Y102 HydrophobicContact CB-CE2 3.85Å; K100-Y102 WeakPolarHBondContact CB-OH 3.44Å; K100-Y102 WeakPolarHBondContact CD-OH 3.36Å; Y102-N143 HydrophobicContact CD1-CB 4.13Å; Y102-N143 HydrophobicContact CG-CB 4.3Å; Y102-V144 CarbonylContact C-O 3.47Å; Y102-V144 VanDerWaalsContact CA-O 3.24Å; Y102-V144 WeakPolarHBondContact CA-O 3.41Å; Y102-A145 HydrophobicContact CD1-CB 4.44Å
103	F	98.5	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.6	159.8	170.5	-117.2	0	0	0	108.2	I69 F71 T105 V144 V146 L153 L174 F176	I69-F103 HydrophobicContact CG2-CD2 3.92Å; I69-F103 HydrophobicContact CG2-CE2 3.86Å; F71-F103 AromaticContact CD1-CE2 3.96Å; F71-F103 HydrophobicContact CD1-CE2 3.96Å; F71-F103 AromaticContact CD1-CZ 3.66Å; F71-F103 HydrophobicContact CD1-CZ 3.66Å; F71-F103 HydrophobicContact CE1-CE2 4.35Å; F71-F103 AromaticContact CE1-CZ 3.85Å; F71-F103 HydrophobicContact CE1-CZ 3.85Å; F71-F103 HydrophobicContact CG-CZ 4.12Å; F71-F103 HydrophobicContact CZ-CZ 4.45Å; F103-T105 HydrophobicContact CD1-CG2 4.36Å; F103-T105 HydrophobicContact CE1-CG2 3.76Å; F103-T105 HydrophobicContact CZ-CG2 4.27Å; F103-V144 HydrophobicContact CD1-CG2 4.49Å; F103-V144 PolarHBondContact N-O 3.04Å; F103-V144 PolarHBondContact O-N 3.43Å; F103-V146 HydrophobicContact CB-CG1 3.93Å; F103-V146 HydrophobicContact CB-CG2 4.3Å; F103-L153 HydrophobicContact CD1-CD1 4.07Å; F103-L174 HydrophobicContact CE1-CD1 3.73Å; F103-L174 HydrophobicContact CE1-CD2 4.19Å; F103-L174 HydrophobicContact CZ-CD1 4.12Å; F103-L174 HydrophobicContact CZ-CD2 4.25Å; F103-F176 HydrophobicContact CB-CE1 4.48Å; F103-F176 HydrophobicContact CB-CZ 4.21Å; F103-F176 HydrophobicContact CD1-CE1 4.09Å; F103-F176 HydrophobicContact CD1-CZ 4.19Å; F103-F176 AromaticContact CD2-CE1 3.54Å; F103-F176 HydrophobicContact CD2-CE1 3.54Å; F103-F176 HydrophobicContact CD2-CZ 4.12Å; F103-F176 HydrophobicContact CE1-CE1 4.16Å; F103-F176 HydrophobicContact CE2-CD1 4.39Å; F103-F176 AromaticContact CE2-CE1 3.63Å; F103-F176 HydrophobicContact CE2-CE1 3.63Å; F103-F176 AromaticContact CG-CE1 3.78Å; F103-F176 HydrophobicContact CG-CE1 3.78Å; F103-F176 AromaticContact CG-CZ 3.91Å; F103-F176 HydrophobicContact CG-CZ 3.91Å; F103-F176 AromaticContact CZ-CE1 3.94Å; F103-F176 HydrophobicContact CZ-CE1 3.94Å
104	Q	98.6	Very high	96.7	Very high	26 Å²	26	44.7 Å²	44.7	12%	0.121	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.3	173.3	178.1	167.5	96.8	0	0	110.2	G92 K93 I95 T141 I142 N143	G92-Q104 WeakPolarHBondContact CA-O 3.42Å; K93-Q104 HydrophobicContact CB-CB 4.25Å; K93-Q104 PolarHBondContact N-O 3.45Å; K93-Q104 PolarHBondContact O-N 2.97Å; I95-Q104 HydrophobicContact CD1-CB 3.86Å; I95-Q104 HydrophobicContact CD1-CG 4.39Å; I95-Q104 HydrophobicContact CG1-CB 4.36Å; Q104-T141 HydrophobicContact CG-CG2 3.83Å; Q104-I142 VanDerWaalsContact CA-O 3.31Å; Q104-I142 WeakPolarHBondContact CA-O 3.24Å; Q104-N143 WeakPolarHBondContact CB-OD1 3.27Å; Q104-N143 WeakPolarHBondContact CG-OD1 3.14Å; Q104-N143 PolarHBondContact NE2-OD1 3.29Å
105	T	98.4	Very high	96.7	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.8	175.7	-174.4	0	0	0	0	110.2	M88 F103 T141 I142	M88-T105 HydrophobicContact CE-CG2 3.59Å; M88-T105 WeakPolarHBondContact CE-OG1 3.37Å; F103-T105 HydrophobicContact CD1-CG2 4.36Å; F103-T105 HydrophobicContact CE1-CG2 3.76Å; F103-T105 HydrophobicContact CZ-CG2 4.27Å; T105-T141 WeakPolarHBondContact O-CA 3.42Å; T105-I142 HydrophobicContact CG2-CD1 3.96Å; T105-I142 HydrophobicContact CG2-CG1 3.63Å; T105-I142 PolarHBondContact N-O 2.8Å; T105-I142 PolarHBondContact O-N 2.81Å
106	V	98.5	Very high	96.8	Very high	25 Å²	25	49.2 Å²	49.2	15%	0.152	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.3	177.6	-174.1	0	0	0	0	108.7	M88 Q89 T139 R140 T141	M88-V106 WeakPolarHBondContact CA-O 3.14Å; Q89-V106 HydrophobicContact CB-CB 4.08Å; Q89-V106 HydrophobicContact CG-CB 3.91Å; Q89-V106 HydrophobicContact CG-CG1 4.27Å; Q89-V106 PolarHBondContact N-O 2.78Å; V106-T139 HydrophobicContact CG1-CG2 4.04Å; V106-R140 WeakPolarHBondContact CA-O 3.28Å; V106-T141 HydrophobicContact CG2-CG2 4.22Å
107	L	98.6	Very high	96.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.1	173.8	-49.4	-178.4	0	0	0	108.8	M88 W113 Y116 T139 R140 I142	M88-L107 HydrophobicContact CE-CD2 4.18Å; M88-L107 HydrophobicContact CG-CD2 4.07Å; M88-L107 HydrophobicContact SD-CD2 4.44Å; L107-W113 HydrophobicContact CB-CD2 4.32Å; L107-W113 HydrophobicContact CB-CZ2 4.25Å; L107-W113 HydrophobicContact CD1-CB 4.46Å; L107-W113 HydrophobicContact CD1-CD2 3.9Å; L107-W113 HydrophobicContact CD1-CE3 3.99Å; L107-W113 HydrophobicContact CD1-CG 4.15Å; L107-W113 HydrophobicContact CD1-CZ3 4.46Å; L107-W113 HydrophobicContact CD2-CE3 4.42Å; L107-W113 HydrophobicContact CD2-CH2 3.86Å; L107-W113 HydrophobicContact CD2-CZ2 3.96Å; L107-W113 HydrophobicContact CD2-CZ3 4.1Å; L107-W113 HydrophobicContact CG-CD2 4.48Å; L107-Y116 HydrophobicContact CD1-CD1 3.99Å; L107-Y116 HydrophobicContact CD1-CE1 4.04Å; L107-Y116 HydrophobicContact CD1-CG 4.27Å; L107-T139 CarbonylContact O-C 3.56Å; L107-T139 VanDerWaalsContact O-CA 3.26Å; L107-T139 WeakPolarHBondContact O-CA 3.31Å; L107-R140 HydrophobicContact CB-CB 4.49Å; L107-R140 PolarHBondContact N-O 2.85Å; L107-R140 PolarHBondContact O-N 2.85Å; L107-I142 HydrophobicContact CD1-CD1 4.21Å; L107-I142 HydrophobicContact CD1-CG2 4.44Å; L107-I142 HydrophobicContact CD2-CD1 4.19Å; L107-I142 HydrophobicContact CG-CD1 4.3Å
108	N	98.2	Very high	97.1	Very high	37 Å²	37	49.1 Å²	49.1	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.6	172.9	-61	-37.1	0	0	0	110.2	Y87 Q89 A110 W113	Y87-N108 PolarHBondContact O-N 2.8Å; Q89-N108 VanDerWaalsContact CG-OD1 3.26Å; Q89-N108 WeakPolarHBondContact CG-OD1 3.34Å; Q89-N108 PolarHBondContact NE2-OD1 2.9Å; N108-A110 VanDerWaalsContact C-N 3.34Å; N108-W113 PolarHBondContact O-NE1 2.83Å
109	N	97.3	Very high	97.6	Very high	58 Å²	58	45.8 Å²	45.8	31%	0.31	22%	0.22	S	C	.	.	S	Bend	trans	55.2	47.9	-173.3	-51.3	-79.6	0	0	0	111.6	Y87 S111 F112 W113 D138	Y87-N109 HydrophobicContact CD1-CB 4.22Å; Y87-N109 WeakPolarHBondContact CD1-ND2 3.32Å; Y87-N109 HydrophobicContact CE1-CB 4.29Å; Y87-N109 WeakPolarHBondContact CE1-ND2 3.35Å; N109-S111 PolarHBondContact O-N 2.84Å; N109-F112 HydrophobicContact CB-CD2 3.55Å; N109-F112 HydrophobicContact CB-CE2 3.68Å; N109-F112 HydrophobicContact CB-CG 4.02Å; N109-F112 HydrophobicContact CB-CZ 4.23Å; N109-F112 WeakPolarHBondContact O-CB 3.44Å; N109-F112 PolarHBondContact O-N 2.82Å; N109-W113 VanDerWaalsContact O-CD1 3.28Å; N109-D138 CarbonylContact C-O 3.56Å; N109-D138 WeakPolarHBondContact CA-O 3.49Å; N109-D138 VanDerWaalsContact CA-OD2 3.25Å; N109-D138 WeakPolarHBondContact CA-OD2 3.31Å; N109-D138 PolarHBondContact N-O 2.83Å
110	A	97.6	Very high	98	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.6	-25.5	-170.7	0	0	0	0	0	114.6	N108 F112 W113 D138 R140	N108-A110 VanDerWaalsContact C-N 3.34Å; A110-F112 VanDerWaalsContact C-N 3.25Å; A110-F112 PolarHBondContact O-N 2.88Å; A110-W113 PolarHBondContact O-N 2.88Å; A110-D138 VanDerWaalsContact N-CG 3.34Å; A110-D138 PolarHBondContact N-O 2.85Å; A110-D138 PolarHBondContact N-OD1 2.87Å; A110-D138 PolarHBondContact N-OD2 2.98Å; A110-R140 HydrophobicContact CB-CB 3.69Å; A110-R140 PolarHBondContact O-NH1 3.28Å
111	S	97.3	Very high	97.9	Very high	79 Å²	79	38 Å²	38	55%	0.552	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-59.9	-29.8	171.4	64.9	0	0	0	0	113.7	N109 D138	N109-S111 PolarHBondContact O-N 2.84Å; S111-D138 WeakPolarHBondContact CB-OD1 3.29Å; S111-D138 VanDerWaalsContact CB-OD2 3.27Å; S111-D138 WeakPolarHBondContact CB-OD2 3.43Å; S111-D138 PolarHBondContact N-OD1 2.81Å; S111-D138 PolarHBondContact N-OD2 2.84Å; S111-D138 PolarHBondContact OG-OD2 3.23Å
112	F	97.9	Very high	97.7	Very high	37 Å²	37	42.7 Å²	42.7	16%	0.162	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-77.8	-22.9	179.4	-57.3	-9.1	0	0	0	112.5	Y87 N109 A110 K114 I159 V160 V161 T316	Y87-F112 HydrophobicContact CE1-CD2 4.19Å; Y87-F112 HydrophobicContact CE1-CE2 4.37Å; N109-F112 HydrophobicContact CB-CD2 3.55Å; N109-F112 HydrophobicContact CB-CE2 3.68Å; N109-F112 HydrophobicContact CB-CG 4.02Å; N109-F112 HydrophobicContact CB-CZ 4.23Å; N109-F112 WeakPolarHBondContact O-CB 3.44Å; N109-F112 PolarHBondContact O-N 2.82Å; A110-F112 VanDerWaalsContact C-N 3.25Å; A110-F112 PolarHBondContact O-N 2.88Å; F112-K114 PolarHBondContact O-N 2.84Å; F112-K114 VanDerWaalsContact O-N 3.1Å; F112-I159 HydrophobicContact CB-CG2 4.1Å; F112-I159 WeakPolarHBondContact O-CA 3.47Å; F112-V160 WeakPolarHBondContact CA-O 3.44Å; F112-V160 PolarHBondContact O-N 3.4Å; F112-V161 HydrophobicContact CB-CG2 4.17Å; F112-V161 HydrophobicContact CD1-CG1 4.29Å; F112-V161 HydrophobicContact CD1-CG2 3.98Å; F112-V161 HydrophobicContact CD2-CG2 3.67Å; F112-V161 HydrophobicContact CE1-CG1 3.91Å; F112-V161 HydrophobicContact CE1-CG2 4.29Å; F112-V161 HydrophobicContact CE2-CG1 4.42Å; F112-V161 HydrophobicContact CE2-CG2 3.99Å; F112-V161 HydrophobicContact CG-CG2 3.68Å; F112-V161 HydrophobicContact CZ-CG1 3.98Å; F112-V161 HydrophobicContact CZ-CG2 4.3Å; F112-T316 HydrophobicContact CE2-CG2 4.48Å
113	W	98.2	Very high	97.6	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	81.4	-175.1	-63	78.8	0	0	0	111.1	M84 M88 L107 N108 N109 A110 Y116 V157 I159	M84-W113 HydrophobicContact CE-CH2 3.9Å; M84-W113 HydrophobicContact CE-CZ3 3.93Å; M84-W113 HydrophobicContact CG-CH2 3.99Å; M84-W113 HydrophobicContact SD-CH2 4.45Å; M88-W113 HydrophobicContact CG-CH2 3.98Å; M88-W113 HydrophobicContact CG-CZ2 4.18Å; M88-W113 HydrophobicContact SD-CH2 4.25Å; L107-W113 HydrophobicContact CB-CD2 4.32Å; L107-W113 HydrophobicContact CB-CZ2 4.25Å; L107-W113 HydrophobicContact CD1-CB 4.46Å; L107-W113 HydrophobicContact CD1-CD2 3.9Å; L107-W113 HydrophobicContact CD1-CE3 3.99Å; L107-W113 HydrophobicContact CD1-CG 4.15Å; L107-W113 HydrophobicContact CD1-CZ3 4.46Å; L107-W113 HydrophobicContact CD2-CE3 4.42Å; L107-W113 HydrophobicContact CD2-CH2 3.86Å; L107-W113 HydrophobicContact CD2-CZ2 3.96Å; L107-W113 HydrophobicContact CD2-CZ3 4.1Å; L107-W113 HydrophobicContact CG-CD2 4.48Å; N108-W113 PolarHBondContact O-NE1 2.83Å; N109-W113 VanDerWaalsContact O-CD1 3.28Å; A110-W113 PolarHBondContact O-N 2.88Å; W113-Y116 HydrophobicContact CB-CD1 4.03Å; W113-Y116 HydrophobicContact CB-CE1 4.24Å; W113-Y116 HydrophobicContact CE3-CD1 4.35Å; W113-V157 HydrophobicContact CE3-CG1 4.33Å; W113-V157 HydrophobicContact CZ3-CG1 3.91Å; W113-I159 HydrophobicContact CD2-CD1 3.8Å; W113-I159 HydrophobicContact CE3-CD1 3.71Å; W113-I159 HydrophobicContact CG-CD1 4.16Å; W113-I159 HydrophobicContact CZ3-CD1 4.29Å
114	K	97.5	Very high	97.6	Very high	149 Å²	149	50.7 Å²	50.7	65%	0.648	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-35.7	179	-179.2	171.6	179.1	172.1	0	112.8	F112 H158 V160	F112-K114 PolarHBondContact O-N 2.84Å; F112-K114 VanDerWaalsContact O-N 3.1Å; K114-H158 HydrophobicContact CB-CB 4.47Å; K114-H158 WeakPolarHBondContact CB-O 3.34Å; K114-H158 PolarHBondContact N-O 3.39Å; K114-V160 HydrophobicContact CB-CG2 4.06Å; K114-V160 HydrophobicContact CD-CG2 3.83Å
115	E	98.1	Very high	97.5	Very high	73 Å²	73	54.4 Å²	54.4	34%	0.341	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.3	176.8	-167.3	177.6	76.5	0	0	110.1	V157 H158 R169	E115-V157 CarbonylContact O-C 3.6Å; E115-V157 WeakPolarHBondContact O-CA 3.46Å; E115-H158 HydrophobicContact CB-CB 3.64Å; E115-H158 PolarHBondContact N-O 3.02Å; E115-H158 PolarHBondContact O-N 2.97Å; E115-R169 IonicContact OE1-CZ 3.19Å; E115-R169 IonicContact OE1-NH1 2.83Å; E115-R169 PolarHBondContact OE1-NH1 3.27Å; E115-R169 IonicContact OE1-NH2 2.75Å; E115-R169 PolarHBondContact OE1-NH2 2.89Å; E115-R169 IonicContact OE2-NH2 3.51Å
116	Y	98.4	Very high	97.5	Very high	39 Å²	39	55 Å²	55	15%	0.153	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	131.8	171.7	40.4	-86.2	0	0	0	108.8	L107 W113 F118 T128 R140 I142	L107-Y116 HydrophobicContact CD1-CD1 3.99Å; L107-Y116 HydrophobicContact CD1-CE1 4.04Å; L107-Y116 HydrophobicContact CD1-CG 4.27Å; W113-Y116 HydrophobicContact CB-CD1 4.03Å; W113-Y116 HydrophobicContact CB-CE1 4.24Å; W113-Y116 HydrophobicContact CE3-CD1 4.35Å; Y116-F118 HydrophobicContact CD2-CE2 4.15Å; Y116-T128 HydrophobicContact CD2-CG2 4.24Å; Y116-T128 HydrophobicContact CE2-CG2 4.13Å; Y116-R140 WeakPolarHBondContact OH-CD 3.18Å; Y116-I142 HydrophobicContact CD2-CD1 4.21Å; Y116-I142 HydrophobicContact CE2-CD1 4.32Å; Y116-I142 HydrophobicContact CE2-CG2 3.99Å
117	K	98.4	Very high	97.5	Very high	75 Å²	75	57.2 Å²	57.2	33%	0.326	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.7	178.8	-67.9	-66.1	-164.4	164	0	108.7	Y119 E125 T155 K156	K117-Y119 HydrophobicContact CB-CE2 3.58Å; K117-Y119 WeakPolarHBondContact CB-OH 2.88Å; K117-E125 IonicContact NZ-OE1 2.86Å; K117-E125 PolarHBondContact NZ-OE1 3.06Å; K117-E125 IonicContact NZ-OE2 2.68Å; K117-T155 CarbonylContact O-C 3.58Å; K117-T155 VanDerWaalsContact O-CA 3.3Å; K117-T155 WeakPolarHBondContact O-CA 3.32Å; K117-K156 HydrophobicContact CB-CB 4.49Å; K117-K156 PolarHBondContact N-O 2.86Å; K117-K156 PolarHBondContact O-N 2.89Å
118	F	98.7	Very high	97.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.2	179.5	-64.6	-92	0	0	0	109.2	Y116 L126 T128 I142 V144 L153 T154 T155	Y116-F118 HydrophobicContact CD2-CE2 4.15Å; F118-L126 HydrophobicContact CB-CB 4.25Å; F118-L126 PolarHBondContact O-N 2.98Å; F118-T128 HydrophobicContact CD2-CG2 4.3Å; F118-T128 HydrophobicContact CE2-CG2 4.35Å; F118-I142 HydrophobicContact CE2-CD1 3.64Å; F118-I142 HydrophobicContact CZ-CD1 3.88Å; F118-V144 HydrophobicContact CB-CG1 3.64Å; F118-V144 HydrophobicContact CB-CG2 4.43Å; F118-V144 HydrophobicContact CD1-CG2 4.15Å; F118-V144 HydrophobicContact CD2-CG1 4.26Å; F118-V144 HydrophobicContact CD2-CG2 3.54Å; F118-V144 HydrophobicContact CE1-CG2 4.3Å; F118-V144 HydrophobicContact CE2-CG2 3.72Å; F118-V144 HydrophobicContact CG-CG1 3.91Å; F118-V144 HydrophobicContact CG-CG2 3.78Å; F118-V144 HydrophobicContact CZ-CG2 4.1Å; F118-L153 HydrophobicContact CD1-CB 4.37Å; F118-L153 HydrophobicContact CD1-CD1 4.07Å; F118-T154 CarbonylContact C-O 3.56Å; F118-T155 HydrophobicContact CD1-CG2 3.83Å; F118-T155 HydrophobicContact CE1-CG2 3.74Å
119	Y	98.5	Very high	97.5	Very high	35 Å²	35	61.2 Å²	61.2	14%	0.137	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.7	-177.8	-56.8	-90.4	0	0	0	108.9	K117 Q124 E125 L153 T154 K156	K117-Y119 HydrophobicContact CB-CE2 3.58Å; K117-Y119 WeakPolarHBondContact CB-OH 2.88Å; Y119-Q124 VanDerWaalsContact CA-O 3.24Å; Y119-Q124 WeakPolarHBondContact CA-O 3.13Å; Y119-E125 HydrophobicContact CD1-CB 3.88Å; Y119-E125 HydrophobicContact CD1-CG 4.24Å; Y119-E125 HydrophobicContact CE1-CB 3.57Å; Y119-E125 HydrophobicContact CE1-CG 3.68Å; Y119-E125 WeakPolarHBondContact CE1-OE2 3.33Å; Y119-E125 PolarHBondContact OH-OE2 2.86Å; Y119-L153 CarbonylContact O-C 3.54Å; Y119-L153 VanDerWaalsContact O-CA 3.3Å; Y119-L153 WeakPolarHBondContact O-CA 3.33Å; Y119-T154 PolarHBondContact N-O 2.92Å; Y119-T154 PolarHBondContact O-N 2.76Å; Y119-K156 HydrophobicContact CD2-CD 4.42Å; Y119-K156 HydrophobicContact CD2-CG 4.39Å; Y119-K156 HydrophobicContact CE2-CB 4.12Å; Y119-K156 HydrophobicContact CE2-CD 3.83Å; Y119-K156 HydrophobicContact CE2-CG 3.98Å
120	N	97.3	Very high	97.5	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	34%	0.339	C	S	.	.			trans	-76.5	176.1	169.3	70.6	9.4	0	0	0	111.2	N122 N123 Q124 L126 Y150	N120-N122 PolarHBondContact O-N 3.38Å; N120-N122 VanDerWaalsContact O-N 3.08Å; N120-N122 WeakPolarHBondContact OD1-CA 3.31Å; N120-N122 WeakPolarHBondContact OD1-CB 3.48Å; N120-N122 PolarHBondContact OD1-N 2.96Å; N120-N123 WeakPolarHBondContact O-CA 3.35Å; N120-N123 PolarHBondContact O-N 3.24Å; N120-N123 PolarHBondContact OD1-N 3.13Å; N120-Q124 PolarHBondContact N-O 2.86Å; N120-Q124 VanDerWaalsContact N-O 3.1Å; N120-Q124 PolarHBondContact ND2-OE1 3.15Å; N120-Q124 WeakPolarHBondContact OD1-CB 3.35Å; N120-Q124 PolarHBondContact OD1-N 3.3Å; N120-L126 HydrophobicContact CB-CD1 4.3Å; N120-L126 HydrophobicContact CB-CD2 4.27Å; N120-Y150 HydrophobicContact CB-CD2 4.23Å; N120-Y150 HydrophobicContact CB-CE2 3.53Å; N120-Y150 PolarHBondContact ND2-OH 3.27Å
121	A	93.5	Very high	97.5	Very high	76 Å²	76	65.8 Å²	65.8	63%	0.628	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.1	177.4	0	0	0	0	0	114.2	N123	A121-N123 VanDerWaalsContact C-N 3.28Å
122	N	94.9	Very high	97.6	Very high	121 Å²	121	66 Å²	66	65%	0.647	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	9.1	174.9	-56.3	-32.5	0	0	0	112.9	N120 Q124	N120-N122 PolarHBondContact O-N 3.38Å; N120-N122 VanDerWaalsContact O-N 3.08Å; N120-N122 WeakPolarHBondContact OD1-CA 3.31Å; N120-N122 WeakPolarHBondContact OD1-CB 3.48Å; N120-N122 PolarHBondContact OD1-N 2.96Å; N122-Q124 HydrophobicContact CB-CG 4.16Å; N122-Q124 PolarHBondContact O-N 3.25Å
123	N	95.4	Very high	97.5	Very high	112 Å²	112	67.1 Å²	67.1	60%	0.599	36%	0.364	S	S	*	.			trans	62	18.9	-175.5	-58.3	-81.6	0	0	0	115.2	N120 A121	N120-N123 WeakPolarHBondContact O-CA 3.35Å; N120-N123 PolarHBondContact O-N 3.24Å; N120-N123 PolarHBondContact OD1-N 3.13Å; A121-N123 VanDerWaalsContact C-N 3.28Å
124	Q	97.7	Very high	97.5	Very high	107 Å²	107	69.6 Å²	69.6	50%	0.5	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-78.6	130.2	174.9	-56.8	170	-85.6	0	0	109.5	Y119 N120 N122	Y119-Q124 VanDerWaalsContact CA-O 3.24Å; Y119-Q124 WeakPolarHBondContact CA-O 3.13Å; N120-Q124 PolarHBondContact N-O 2.86Å; N120-Q124 VanDerWaalsContact N-O 3.1Å; N120-Q124 PolarHBondContact ND2-OE1 3.15Å; N120-Q124 WeakPolarHBondContact OD1-CB 3.35Å; N120-Q124 PolarHBondContact OD1-N 3.3Å; N122-Q124 HydrophobicContact CB-CG 4.16Å; N122-Q124 PolarHBondContact O-N 3.25Å
125	E	98.2	Very high	97.5	Very high	104 Å²	104	70.6 Å²	70.6	49%	0.486	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.7	-179.4	-167.1	167.2	123	0	0	111.7	K117 Y119	K117-E125 IonicContact NZ-OE1 2.86Å; K117-E125 PolarHBondContact NZ-OE1 3.06Å; K117-E125 IonicContact NZ-OE2 2.68Å; Y119-E125 HydrophobicContact CD1-CB 3.88Å; Y119-E125 HydrophobicContact CD1-CG 4.24Å; Y119-E125 HydrophobicContact CE1-CB 3.57Å; Y119-E125 HydrophobicContact CE1-CG 3.68Å; Y119-E125 WeakPolarHBondContact CE1-OE2 3.33Å; Y119-E125 PolarHBondContact OH-OE2 2.86Å
126	L	98.5	Very high	97.4	Very high	15 Å²	15	76.4 Å²	76.4	8%	0.079	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.9	-175.8	-60.1	179.2	0	0	0	110.6	F118 N120 T128 V144 A145 Y150 L153	F118-L126 HydrophobicContact CB-CB 4.25Å; F118-L126 PolarHBondContact O-N 2.98Å; N120-L126 HydrophobicContact CB-CD1 4.3Å; N120-L126 HydrophobicContact CB-CD2 4.27Å; L126-T128 PolarHBondContact O-N 2.74Å; L126-T128 VanDerWaalsContact O-N 3.13Å; L126-T128 PolarHBondContact O-OG1 3.26Å; L126-T128 VanDerWaalsContact O-OG1 3.07Å; L126-V144 HydrophobicContact CB-CG1 3.8Å; L126-V144 HydrophobicContact CD1-CG1 4.16Å; L126-A145 WeakPolarHBondContact CB-O 3.47Å; L126-Y150 HydrophobicContact CD1-CE2 4.16Å; L126-Y150 HydrophobicContact CD2-CE2 4.09Å; L126-L153 HydrophobicContact CD1-CD2 3.66Å
127	A	98.2	Very high	97.3	Very high	71 Å²	71	77.4 Å²	77.4	59%	0.587	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-56.2	119.6	179.3	0	0	0	0	0	110.4	A145	A127-A145 HydrophobicContact CB-CB 4.2Å; A127-A145 WeakPolarHBondContact O-CB 3.39Å; A127-A145 PolarHBondContact O-N 2.9Å
128	T	98.1	Very high	97.3	Very high	44 Å²	44	76 Å²	76	27%	0.27	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.2	-177.3	-57.9	0	0	0	0	109.3	Y116 F118 L126 I142 N143 V144	Y116-T128 HydrophobicContact CD2-CG2 4.24Å; Y116-T128 HydrophobicContact CE2-CG2 4.13Å; F118-T128 HydrophobicContact CD2-CG2 4.3Å; F118-T128 HydrophobicContact CE2-CG2 4.35Å; L126-T128 PolarHBondContact O-N 2.74Å; L126-T128 VanDerWaalsContact O-N 3.13Å; L126-T128 PolarHBondContact O-OG1 3.26Å; L126-T128 VanDerWaalsContact O-OG1 3.07Å; T128-I142 HydrophobicContact CG2-CB 4.23Å; T128-I142 HydrophobicContact CG2-CD1 4.07Å; T128-N143 CarbonylContact C-O 3.58Å; T128-N143 WeakPolarHBondContact CA-O 3.22Å; T128-V144 HydrophobicContact CG2-CG2 4.13Å
129	T	97.8	Very high	97.3	Very high	78 Å²	78	77 Å²	77	48%	0.479	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.4	177.8	58.4	0	0	0	0	111.2	I142 N143	T129-I142 CarbonylContact O-C 3.55Å; T129-I142 VanDerWaalsContact O-CA 3.29Å; T129-I142 WeakPolarHBondContact O-CA 3.34Å; T129-N143 PolarHBondContact N-O 2.72Å; T129-N143 PolarHBondContact O-N 3.27Å
130	V	98.2	Very high	97.3	Very high	76 Å²	76	77.2 Å²	77.2	46%	0.461	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.8	172.9	-177.3	0	0	0	0	108.5	D133 R140 I142	V130-D133 HydrophobicContact CG1-CB 4.35Å; V130-R140 HydrophobicContact CG1-CG 3.75Å; V130-R140 HydrophobicContact CG2-CG 4.47Å; V130-I142 HydrophobicContact CG2-CG2 4.36Å
131	V	97.4	Very high	97.4	Very high	79 Å²	79	78.2 Å²	78.2	48%	0.479	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-36.6	176.4	-177.6	0	0	0	0	110.7	T141 N143	V131-T141 HydrophobicContact CB-CG2 4.02Å; V131-T141 HydrophobicContact CG1-CG2 4.44Å; V131-T141 PolarHBondContact N-O 3.34Å; V131-N143 HydrophobicContact CG2-CB 4.08Å; V131-N143 VanDerWaalsContact CG2-CG 3.43Å; V131-N143 WeakPolarHBondContact CG2-OD1 3.47Å
132	N	97.7	Very high	97.6	Very high	84 Å²	84	74.6 Å²	74.6	45%	0.449	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	140.4	177.2	-171.4	13.4	0	0	0	110.4	R140 T141	N132-R140 CarbonylContact O-C 3.59Å; N132-R140 WeakPolarHBondContact O-CA 3.44Å; N132-R140 WeakPolarHBondContact O-CG 3.49Å; N132-T141 PolarHBondContact N-O 2.93Å; N132-T141 PolarHBondContact O-N 3.33Å
133	D	97.6	Very high	97.8	Very high	59 Å²	59	69.6 Å²	69.6	32%	0.316	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	81.1	175.1	-171.3	59.2	0	0	0	108.5	V130 K135 R140	V130-D133 HydrophobicContact CG1-CB 4.35Å; D133-K135 PolarHBondContact O-N 3.02Å; D133-K135 WeakPolarHBondContact OD2-CE 3.38Å; D133-R140 IonicContact OD1-CZ 3.92Å; D133-R140 IonicContact OD1-NE 2.67Å; D133-R140 PolarHBondContact OD1-NE 2.92Å; D133-R140 IonicContact OD1-NH2 3.52Å; D133-R140 PolarHBondContact OD1-NH2 2.82Å
134	N	97.5	Very high	97.9	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	82.1	-172	-177.1	3.1	0	0	0	111.3	K136 A137 D138 T139	N134-K136 PolarHBondContact O-N 2.9Å; N134-K136 VanDerWaalsContact O-N 3.16Å; N134-K136 PolarHBondContact OD1-N 2.86Å; N134-A137 CarbonylContact O-C 3.57Å; N134-A137 PolarHBondContact O-N 2.94Å; N134-A137 VanDerWaalsContact O-N 3.12Å; N134-A137 PolarHBondContact OD1-N 3.22Å; N134-D138 PolarHBondContact O-N 2.68Å; N134-D138 VanDerWaalsContact O-N 3.07Å; N134-T139 WeakPolarHBondContact CA-O 3.32Å; N134-T139 WeakPolarHBondContact CB-O 3.16Å; N134-T139 PolarHBondContact N-O 2.77Å; N134-T139 PolarHBondContact O-N 3.05Å; N134-T139 VanDerWaalsContact O-N 3.16Å
135	K	96.6	Very high	97.9	Very high	170 Å²	170	60.5 Å²	60.5	74%	0.739	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.8	178.8	-59	-177.8	-176.4	-179	0	114.3	D133	D133-K135 PolarHBondContact O-N 3.02Å; D133-K135 WeakPolarHBondContact OD2-CE 3.38Å
136	K	96.6	Very high	98	Very high	195 Å²	195	56 Å²	56	85%	0.848	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.7	177.8	-177.9	175.9	177	-178.7	0	112.5	N134	N134-K136 PolarHBondContact O-N 2.9Å; N134-K136 VanDerWaalsContact O-N 3.16Å; N134-K136 PolarHBondContact OD1-N 2.86Å
137	A	97.1	Very high	97.9	Very high	60 Å²	60	60.6 Å²	60.6	50%	0.496	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	12.6	179.7	0	0	0	0	0	112.8	N134 T139	N134-A137 CarbonylContact O-C 3.57Å; N134-A137 PolarHBondContact O-N 2.94Å; N134-A137 VanDerWaalsContact O-N 3.12Å; N134-A137 PolarHBondContact OD1-N 3.22Å; A137-T139 PolarHBondContact O-N 2.88Å; A137-T139 VanDerWaalsContact O-N 3.14Å
138	D	97.9	Very high	97.8	Very high	45 Å²	45	59.6 Å²	59.6	24%	0.241	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	33.1	53.5	-166.6	-162.1	25.6	0	0	0	114.2	N109 A110 S111 N134	N109-D138 CarbonylContact C-O 3.56Å; N109-D138 WeakPolarHBondContact CA-O 3.49Å; N109-D138 VanDerWaalsContact CA-OD2 3.25Å; N109-D138 WeakPolarHBondContact CA-OD2 3.31Å; N109-D138 PolarHBondContact N-O 2.83Å; A110-D138 VanDerWaalsContact N-CG 3.34Å; A110-D138 PolarHBondContact N-O 2.85Å; A110-D138 PolarHBondContact N-OD1 2.87Å; A110-D138 PolarHBondContact N-OD2 2.98Å; S111-D138 WeakPolarHBondContact CB-OD1 3.29Å; S111-D138 VanDerWaalsContact CB-OD2 3.27Å; S111-D138 WeakPolarHBondContact CB-OD2 3.43Å; S111-D138 PolarHBondContact N-OD1 2.81Å; S111-D138 PolarHBondContact N-OD2 2.84Å; S111-D138 PolarHBondContact OG-OD2 3.23Å; N134-D138 PolarHBondContact O-N 2.68Å; N134-D138 VanDerWaalsContact O-N 3.07Å
139	T	98.5	Very high	97.8	Very high	22 Å²	22	59.9 Å²	59.9	14%	0.135	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.5	-179.4	37.5	0	0	0	0	111.9	V106 L107 N134 A137	V106-T139 HydrophobicContact CG1-CG2 4.04Å; L107-T139 CarbonylContact O-C 3.56Å; L107-T139 VanDerWaalsContact O-CA 3.26Å; L107-T139 WeakPolarHBondContact O-CA 3.31Å; N134-T139 WeakPolarHBondContact CA-O 3.32Å; N134-T139 WeakPolarHBondContact CB-O 3.16Å; N134-T139 PolarHBondContact N-O 2.77Å; N134-T139 PolarHBondContact O-N 3.05Å; N134-T139 VanDerWaalsContact O-N 3.16Å; A137-T139 PolarHBondContact O-N 2.88Å; A137-T139 VanDerWaalsContact O-N 3.14Å
140	R	98.6	Very high	97.8	Very high	39 Å²	39	57.9 Å²	57.9	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116	178.4	-173	178.4	-65.7	133	8.2	111.3	V106 L107 A110 Y116 V130 N132 D133 I142	V106-R140 WeakPolarHBondContact CA-O 3.28Å; L107-R140 HydrophobicContact CB-CB 4.49Å; L107-R140 PolarHBondContact N-O 2.85Å; L107-R140 PolarHBondContact O-N 2.85Å; A110-R140 HydrophobicContact CB-CB 3.69Å; A110-R140 PolarHBondContact O-NH1 3.28Å; Y116-R140 WeakPolarHBondContact OH-CD 3.18Å; V130-R140 HydrophobicContact CG1-CG 3.75Å; V130-R140 HydrophobicContact CG2-CG 4.47Å; N132-R140 CarbonylContact O-C 3.59Å; N132-R140 WeakPolarHBondContact O-CA 3.44Å; N132-R140 WeakPolarHBondContact O-CG 3.49Å; D133-R140 IonicContact OD1-CZ 3.92Å; D133-R140 IonicContact OD1-NE 2.67Å; D133-R140 PolarHBondContact OD1-NE 2.92Å; D133-R140 IonicContact OD1-NH2 3.52Å; D133-R140 PolarHBondContact OD1-NH2 2.82Å; R140-I142 HydrophobicContact CG-CG2 3.96Å
141	T	98.5	Very high	97.8	Very high	25 Å²	25	61.2 Å²	61.2	15%	0.153	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.2	171.7	-48.8	0	0	0	0	108.9	Q104 T105 V106 V131 N132	Q104-T141 HydrophobicContact CG-CG2 3.83Å; T105-T141 WeakPolarHBondContact O-CA 3.42Å; V106-T141 HydrophobicContact CG2-CG2 4.22Å; V131-T141 HydrophobicContact CB-CG2 4.02Å; V131-T141 HydrophobicContact CG1-CG2 4.44Å; V131-T141 PolarHBondContact N-O 3.34Å; N132-T141 PolarHBondContact N-O 2.93Å; N132-T141 PolarHBondContact O-N 3.33Å
142	I	98.6	Very high	97.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.6	176.7	63.2	168.9	0	0	0	110.9	Q104 T105 L107 Y116 F118 T128 T129 V130 R140 V144	Q104-I142 VanDerWaalsContact CA-O 3.31Å; Q104-I142 WeakPolarHBondContact CA-O 3.24Å; T105-I142 HydrophobicContact CG2-CD1 3.96Å; T105-I142 HydrophobicContact CG2-CG1 3.63Å; T105-I142 PolarHBondContact N-O 2.8Å; T105-I142 PolarHBondContact O-N 2.81Å; L107-I142 HydrophobicContact CD1-CD1 4.21Å; L107-I142 HydrophobicContact CD1-CG2 4.44Å; L107-I142 HydrophobicContact CD2-CD1 4.19Å; L107-I142 HydrophobicContact CG-CD1 4.3Å; Y116-I142 HydrophobicContact CD2-CD1 4.21Å; Y116-I142 HydrophobicContact CE2-CD1 4.32Å; Y116-I142 HydrophobicContact CE2-CG2 3.99Å; F118-I142 HydrophobicContact CE2-CD1 3.64Å; F118-I142 HydrophobicContact CZ-CD1 3.88Å; T128-I142 HydrophobicContact CG2-CB 4.23Å; T128-I142 HydrophobicContact CG2-CD1 4.07Å; T129-I142 CarbonylContact O-C 3.55Å; T129-I142 VanDerWaalsContact O-CA 3.29Å; T129-I142 WeakPolarHBondContact O-CA 3.34Å; V130-I142 HydrophobicContact CG2-CG2 4.36Å; R140-I142 HydrophobicContact CG-CG2 3.96Å; I142-V144 HydrophobicContact CD1-CG2 4.22Å
143	N	98.3	Very high	97.9	Very high	17 Å²	17	54.6 Å²	54.6	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.9	166.6	-79.2	4.7	0	0	0	108.4	Y102 Q104 T128 T129 V131	Y102-N143 HydrophobicContact CD1-CB 4.13Å; Y102-N143 HydrophobicContact CG-CB 4.3Å; Q104-N143 WeakPolarHBondContact CB-OD1 3.27Å; Q104-N143 WeakPolarHBondContact CG-OD1 3.14Å; Q104-N143 PolarHBondContact NE2-OD1 3.29Å; T128-N143 CarbonylContact C-O 3.58Å; T128-N143 WeakPolarHBondContact CA-O 3.22Å; T129-N143 PolarHBondContact N-O 2.72Å; T129-N143 PolarHBondContact O-N 3.27Å; V131-N143 HydrophobicContact CG2-CB 4.08Å; V131-N143 VanDerWaalsContact CG2-CG 3.43Å; V131-N143 WeakPolarHBondContact CG2-OD1 3.47Å
144	V	98.7	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126	168.8	-174.8	0	0	0	0	108.2	Y102 F103 F118 L126 T128 I142 V146 L153	Y102-V144 CarbonylContact C-O 3.47Å; Y102-V144 VanDerWaalsContact CA-O 3.24Å; Y102-V144 WeakPolarHBondContact CA-O 3.41Å; F103-V144 HydrophobicContact CD1-CG2 4.49Å; F103-V144 PolarHBondContact N-O 3.04Å; F103-V144 PolarHBondContact O-N 3.43Å; F118-V144 HydrophobicContact CB-CG1 3.64Å; F118-V144 HydrophobicContact CB-CG2 4.43Å; F118-V144 HydrophobicContact CD1-CG2 4.15Å; F118-V144 HydrophobicContact CD2-CG1 4.26Å; F118-V144 HydrophobicContact CD2-CG2 3.54Å; F118-V144 HydrophobicContact CE1-CG2 4.3Å; F118-V144 HydrophobicContact CE2-CG2 3.72Å; F118-V144 HydrophobicContact CG-CG1 3.91Å; F118-V144 HydrophobicContact CG-CG2 3.78Å; F118-V144 HydrophobicContact CZ-CG2 4.1Å; L126-V144 HydrophobicContact CB-CG1 3.8Å; L126-V144 HydrophobicContact CD1-CG1 4.16Å; T128-V144 HydrophobicContact CG2-CG2 4.13Å; I142-V144 HydrophobicContact CD1-CG2 4.22Å; V144-V146 HydrophobicContact CG1-CG1 4.43Å; V144-V146 PolarHBondContact O-N 3.14Å; V144-L153 HydrophobicContact CG1-CD1 4.19Å
145	A	98.2	Very high	97.9	Very high	28 Å²	28	49.8 Å²	49.8	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	129.6	173.6	0	0	0	0	0	110.3	Y102 L126 A127	Y102-A145 HydrophobicContact CD1-CB 4.44Å; L126-A145 WeakPolarHBondContact CB-O 3.47Å; A127-A145 HydrophobicContact CB-CB 4.2Å; A127-A145 WeakPolarHBondContact O-CB 3.39Å; A127-A145 PolarHBondContact O-N 2.9Å
146	V	98.4	Very high	98	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	172.2	-178.3	-63.5	0	0	0	0	109.8	Y101 F103 V144 Y150 L153 I180	Y101-V146 WeakPolarHBondContact CB-O 3.18Å; Y101-V146 PolarHBondContact O-N 3.29Å; Y101-V146 VanDerWaalsContact O-N 3.07Å; F103-V146 HydrophobicContact CB-CG1 3.93Å; F103-V146 HydrophobicContact CB-CG2 4.3Å; V144-V146 HydrophobicContact CG1-CG1 4.43Å; V144-V146 PolarHBondContact O-N 3.14Å; V146-Y150 HydrophobicContact CB-CD2 4.05Å; V146-Y150 HydrophobicContact CB-CE2 4.5Å; V146-Y150 HydrophobicContact CG1-CD2 4.32Å; V146-L153 HydrophobicContact CG1-CD1 4.31Å; V146-L153 HydrophobicContact CG1-CD2 3.93Å; V146-I180 HydrophobicContact CB-CG1 4.46Å; V146-I180 HydrophobicContact CG2-CD1 4.14Å; V146-I180 HydrophobicContact CG2-CG1 4.17Å; V146-I180 HydrophobicContact CG2-CG2 4.14Å
147	E	97.4	Very high	98.1	Very high	112 Å²	112	36.8 Å²	36.8	52%	0.523	21%	0.208	S	C	.	.			trans	-125	152.3	174.2	-54.5	175.3	121.5	0	0	110.3	G149 Y150	E147-G149 PolarHBondContact O-N 3.3Å; E147-Y150 HydrophobicContact CB-CD1 3.99Å; E147-Y150 HydrophobicContact CB-CE1 3.59Å; E147-Y150 HydrophobicContact CG-CE1 4.02Å; E147-Y150 WeakPolarHBondContact O-CB 3.35Å; E147-Y150 WeakPolarHBondContact O-CD1 3.42Å; E147-Y150 PolarHBondContact O-N 2.86Å; E147-Y150 WeakPolarHBondContact OE2-CE1 3.36Å; E147-Y150 VanDerWaalsContact OE2-CZ 3.24Å; E147-Y150 PolarHBondContact OE2-OH 2.78Å
148	P	97.1	Very high	98.1	Very high	50 Å²	50	34.9 Å²	34.9	33%	0.325	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139	171.3	-26.5	36.2	0	0	0	112.2	Y101 I180	Y101-P148 HydrophobicContact CD1-CG 4.09Å; Y101-P148 HydrophobicContact CD2-CG 3.88Å; Y101-P148 HydrophobicContact CE1-CG 3.82Å; Y101-P148 HydrophobicContact CE2-CG 3.61Å; Y101-P148 HydrophobicContact CG-CG 4.11Å; P148-I180 CarbonylContact C-O 3.53Å; P148-I180 VanDerWaalsContact CA-O 3.28Å; P148-I180 WeakPolarHBondContact CA-O 3.27Å
149	G	97.4	Very high	98.1	Very high	49 Å²	49	33.1 Å²	33.1	51%	0.505	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-11.9	-175.5	0	0	0	0	0	115.2	E147 K151 I180	E147-G149 PolarHBondContact O-N 3.3Å; G149-K151 PolarHBondContact O-N 2.84Å; G149-I180 PolarHBondContact N-O 2.85Å
150	Y	98	Very high	98.1	Very high	37 Å²	37	33.5 Å²	33.5	15%	0.145	18%	0.182	C	C	.	.			trans	-61	126.8	173.3	-79.5	23.7	0	0	0	110.2	N120 L126 V146 E147 L153 A179 I180	N120-Y150 HydrophobicContact CB-CD2 4.23Å; N120-Y150 HydrophobicContact CB-CE2 3.53Å; N120-Y150 PolarHBondContact ND2-OH 3.27Å; L126-Y150 HydrophobicContact CD1-CE2 4.16Å; L126-Y150 HydrophobicContact CD2-CE2 4.09Å; V146-Y150 HydrophobicContact CB-CD2 4.05Å; V146-Y150 HydrophobicContact CB-CE2 4.5Å; V146-Y150 HydrophobicContact CG1-CD2 4.32Å; E147-Y150 HydrophobicContact CB-CD1 3.99Å; E147-Y150 HydrophobicContact CB-CE1 3.59Å; E147-Y150 HydrophobicContact CG-CE1 4.02Å; E147-Y150 WeakPolarHBondContact O-CB 3.35Å; E147-Y150 WeakPolarHBondContact O-CD1 3.42Å; E147-Y150 PolarHBondContact O-N 2.86Å; E147-Y150 WeakPolarHBondContact OE2-CE1 3.36Å; E147-Y150 VanDerWaalsContact OE2-CZ 3.24Å; E147-Y150 PolarHBondContact OE2-OH 2.78Å; Y150-L153 HydrophobicContact CD2-CD2 3.99Å; Y150-A179 CarbonylContact O-C 3.58Å; Y150-A179 VanDerWaalsContact O-CA 3.3Å; Y150-A179 WeakPolarHBondContact O-CA 3.4Å; Y150-I180 PolarHBondContact O-N 3.27Å
151	K	97.9	Very high	98	Very high	145 Å²	145	32.1 Å²	32.1	63%	0.63	18%	0.178	S	C	*	.			trans	-97	-32	178.1	-74.9	168.5	171.3	-75.7	0	112.7	G149 F176 A179	G149-K151 PolarHBondContact O-N 2.84Å; K151-F176 WeakPolarHBondContact O-CB 3.5Å; K151-F176 VanDerWaalsContact O-CD2 3.29Å; K151-F176 WeakPolarHBondContact O-CD2 3.38Å; K151-F176 PolarHBondContact O-N 2.97Å; K151-A179 HydrophobicContact CG-CB 3.88Å
152	S	97.7	Very high	97.8	Very high	25 Å²	25	35.4 Å²	35.4	18%	0.175	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.5	178.3	60.9	0	0	0	0	113.9	L174 E175	S152-L174 CarbonylContact C-O 3.51Å; S152-L174 WeakPolarHBondContact CA-O 3.36Å; S152-L174 WeakPolarHBondContact CB-O 3.46Å; S152-E175 WeakPolarHBondContact CB-OE1 3.31Å; S152-E175 WeakPolarHBondContact CB-OE2 3.4Å; S152-E175 PolarHBondContact OG-OE1 2.91Å
153	L	98.5	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.8	176.7	-45	178.7	0	0	0	109	F103 F118 Y119 L126 V144 V146 Y150 T155 L174 F176	F103-L153 HydrophobicContact CD1-CD1 4.07Å; F118-L153 HydrophobicContact CD1-CB 4.37Å; F118-L153 HydrophobicContact CD1-CD1 4.07Å; Y119-L153 CarbonylContact O-C 3.54Å; Y119-L153 VanDerWaalsContact O-CA 3.3Å; Y119-L153 WeakPolarHBondContact O-CA 3.33Å; L126-L153 HydrophobicContact CD1-CD2 3.66Å; V144-L153 HydrophobicContact CG1-CD1 4.19Å; V146-L153 HydrophobicContact CG1-CD1 4.31Å; V146-L153 HydrophobicContact CG1-CD2 3.93Å; Y150-L153 HydrophobicContact CD2-CD2 3.99Å; L153-T155 PolarHBondContact O-N 3Å; L153-L174 HydrophobicContact CB-CB 4.44Å; L153-L174 PolarHBondContact N-O 3.37Å; L153-L174 PolarHBondContact O-N 2.86Å; L153-F176 HydrophobicContact CD1-CE2 4.4Å; L153-F176 HydrophobicContact CD1-CZ 3.8Å; L153-F176 HydrophobicContact CD2-CE2 4.03Å; L153-F176 HydrophobicContact CD2-CZ 4.24Å; L153-F176 HydrophobicContact CG-CE2 3.91Å; L153-F176 HydrophobicContact CG-CZ 3.79Å
154	T	98.4	Very high	97.5	Very high	18 Å²	18	47.5 Å²	47.5	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.3	165.3	-66.7	0	0	0	0	108.1	F118 Y119 T171 T172 H173	F118-T154 CarbonylContact C-O 3.56Å; Y119-T154 PolarHBondContact N-O 2.92Å; Y119-T154 PolarHBondContact O-N 2.76Å; T154-T171 HydrophobicContact CG2-CG2 3.86Å; T154-T172 CarbonylContact C-O 3.56Å; T154-T172 WeakPolarHBondContact CA-O 3.43Å; T154-H173 PolarHBondContact OG1-ND1 3.13Å
155	T	98.4	Very high	97.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.9	176.8	105	0	0	0	0	110.4	M84 K117 F118 L153 T171 T172 L174	M84-T155 HydrophobicContact CE-CG2 4.04Å; M84-T155 WeakPolarHBondContact CE-OG1 3.42Å; K117-T155 CarbonylContact O-C 3.58Å; K117-T155 VanDerWaalsContact O-CA 3.3Å; K117-T155 WeakPolarHBondContact O-CA 3.32Å; F118-T155 HydrophobicContact CD1-CG2 3.83Å; F118-T155 HydrophobicContact CE1-CG2 3.74Å; L153-T155 PolarHBondContact O-N 3Å; T155-T171 WeakPolarHBondContact O-CA 3.24Å; T155-T172 PolarHBondContact N-O 3.1Å; T155-T172 PolarHBondContact O-N 2.7Å; T155-T172 PolarHBondContact OG1-OG1 2.68Å; T155-L174 HydrophobicContact CG2-CB 4.08Å
156	K	98.2	Very high	97.2	Very high	88 Å²	88	54.4 Å²	54.4	38%	0.383	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.4	167.8	-64.8	180	-178.7	170.6	0	108.5	K117 Y119 Y170	K117-K156 HydrophobicContact CB-CB 4.49Å; K117-K156 PolarHBondContact N-O 2.86Å; K117-K156 PolarHBondContact O-N 2.89Å; Y119-K156 HydrophobicContact CD2-CD 4.42Å; Y119-K156 HydrophobicContact CD2-CG 4.39Å; Y119-K156 HydrophobicContact CE2-CB 4.12Å; Y119-K156 HydrophobicContact CE2-CD 3.83Å; Y119-K156 HydrophobicContact CE2-CG 3.98Å; K156-Y170 VanDerWaalsContact CA-O 3.31Å; K156-Y170 WeakPolarHBondContact CA-O 3.45Å
157	V	98.2	Very high	97.1	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.6	-170.7	-59.6	0	0	0	0	111.7	M84 W113 E115 I159 R169 Y170	M84-V157 HydrophobicContact CE-CG1 4.04Å; M84-V157 HydrophobicContact SD-CG1 4.14Å; M84-V157 HydrophobicContact SD-CG2 4.12Å; W113-V157 HydrophobicContact CE3-CG1 4.33Å; W113-V157 HydrophobicContact CZ3-CG1 3.91Å; E115-V157 CarbonylContact O-C 3.6Å; E115-V157 WeakPolarHBondContact O-CA 3.46Å; V157-I159 HydrophobicContact CB-CD1 4.2Å; V157-I159 HydrophobicContact CG2-CD1 4.23Å; V157-I159 HydrophobicContact CG2-CG1 4.11Å; V157-R169 WeakPolarHBondContact O-CA 3.42Å; V157-Y170 HydrophobicContact CG2-CD2 4.35Å; V157-Y170 PolarHBondContact N-O 3.16Å; V157-Y170 PolarHBondContact O-N 3.02Å
158	H	98.3	Very high	97.1	Very high	19 Å²	19	56.6 Å²	56.6	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.8	169.2	-167.5	171.9	0	0	0	108	K114 E115 N167 H168 R169	K114-H158 HydrophobicContact CB-CB 4.47Å; K114-H158 WeakPolarHBondContact CB-O 3.34Å; K114-H158 PolarHBondContact N-O 3.39Å; E115-H158 HydrophobicContact CB-CB 3.64Å; E115-H158 PolarHBondContact N-O 3.02Å; E115-H158 PolarHBondContact O-N 2.97Å; H158-N167 PolarHBondContact NE2-OD1 2.8Å; H158-H168 PolarHBondContact CD2-O 3.45Å; H158-R169 HydrophobicContact CB-CG 3.94Å; H158-R169 PolarHBondContact ND1-NE 2.73Å; H158-R169 PolarHBondContact ND1-NH2 3.29Å
159	I	98	Very high	97.1	Very high	8 Å²	8	61 Å²	61	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130	179.3	-50.4	-57.6	0	0	0	108.9	F112 W113 V157 Y166 H168	F112-I159 HydrophobicContact CB-CG2 4.1Å; F112-I159 WeakPolarHBondContact O-CA 3.47Å; W113-I159 HydrophobicContact CD2-CD1 3.8Å; W113-I159 HydrophobicContact CE3-CD1 3.71Å; W113-I159 HydrophobicContact CG-CD1 4.16Å; W113-I159 HydrophobicContact CZ3-CD1 4.29Å; V157-I159 HydrophobicContact CB-CD1 4.2Å; V157-I159 HydrophobicContact CG2-CD1 4.23Å; V157-I159 HydrophobicContact CG2-CG1 4.11Å; I159-Y166 HydrophobicContact CB-CE1 4.04Å; I159-Y166 HydrophobicContact CG2-CD1 4.42Å; I159-Y166 HydrophobicContact CG2-CE1 3.79Å; I159-H168 PolarHBondContact N-O 2.59Å; I159-H168 PolarHBondContact O-N 3.28Å
160	V	97.3	Very high	97.1	Very high	31 Å²	31	60 Å²	60	19%	0.188	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.4	-179.6	-175.8	0	0	0	0	109.7	F112 K114 P162 Y166	F112-V160 WeakPolarHBondContact CA-O 3.44Å; F112-V160 PolarHBondContact O-N 3.4Å; K114-V160 HydrophobicContact CB-CG2 4.06Å; K114-V160 HydrophobicContact CD-CG2 3.83Å; V160-P162 HydrophobicContact CG1-CG 4.34Å; V160-Y166 CarbonylContact C-O 3.58Å; V160-Y166 VanDerWaalsContact CA-O 3.31Å; V160-Y166 WeakPolarHBondContact CA-O 3.14Å
161	V	96.5	Very high	97.1	Very high	10 Å²	10	60.5 Å²	60.5	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	93.7	174	-169.3	0	0	0	0	107.9	F112 Q163 I164 N165 Y166	F112-V161 HydrophobicContact CB-CG2 4.17Å; F112-V161 HydrophobicContact CD1-CG1 4.29Å; F112-V161 HydrophobicContact CD1-CG2 3.98Å; F112-V161 HydrophobicContact CD2-CG2 3.67Å; F112-V161 HydrophobicContact CE1-CG1 3.91Å; F112-V161 HydrophobicContact CE1-CG2 4.29Å; F112-V161 HydrophobicContact CE2-CG1 4.42Å; F112-V161 HydrophobicContact CE2-CG2 3.99Å; F112-V161 HydrophobicContact CG-CG2 3.68Å; F112-V161 HydrophobicContact CZ-CG1 3.98Å; F112-V161 HydrophobicContact CZ-CG2 4.3Å; V161-Q163 VanDerWaalsContact C-N 3.27Å; V161-Q163 PolarHBondContact O-N 2.75Å; V161-I164 HydrophobicContact CB-CD1 4.14Å; V161-I164 HydrophobicContact CB-CG1 3.88Å; V161-I164 HydrophobicContact CG1-CD1 4.15Å; V161-I164 HydrophobicContact CG1-CG1 3.83Å; V161-I164 PolarHBondContact O-N 2.98Å; V161-N165 PolarHBondContact O-N 2.77Å; V161-Y166 HydrophobicContact CB-CD1 4.38Å; V161-Y166 HydrophobicContact CG2-CD1 3.99Å; V161-Y166 PolarHBondContact N-O 3.25Å; V161-Y166 PolarHBondContact O-N 3.33Å
162	P	94.5	Very high	97.1	Very high	93 Å²	93	53.8 Å²	53.8	60%	0.604	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-58	-36.2	-170.5	-27.7	35.8	0	0	0	114.2	V160 I164 N165	V160-P162 HydrophobicContact CG1-CG 4.34Å; P162-I164 PolarHBondContact O-N 2.9Å; P162-N165 PolarHBondContact O-N 2.79Å
163	Q	94.8	Very high	97.1	Very high	178 Å²	178	54.7 Å²	54.7	83%	0.832	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-60.2	-18.9	-175.9	-49.8	-63.1	19.9	0	0	114.4	V161	V161-Q163 VanDerWaalsContact C-N 3.27Å; V161-Q163 PolarHBondContact O-N 2.75Å
164	I	95.3	Very high	97.1	Very high	93 Å²	93	54.7 Å²	54.7	48%	0.477	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-128.1	18.6	-179.8	55.7	167.4	0	0	0	111.8	V161 P162 Y166 P314	V161-I164 HydrophobicContact CB-CD1 4.14Å; V161-I164 HydrophobicContact CB-CG1 3.88Å; V161-I164 HydrophobicContact CG1-CD1 4.15Å; V161-I164 HydrophobicContact CG1-CG1 3.83Å; V161-I164 PolarHBondContact O-N 2.98Å; P162-I164 PolarHBondContact O-N 2.9Å; I164-Y166 PolarHBondContact O-N 2.72Å; I164-P314 HydrophobicContact CD1-CB 4.19Å; I164-P314 HydrophobicContact CD1-CG 3.74Å
165	N	95.9	Very high	97.1	Very high	150 Å²	150	56.8 Å²	56.8	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	17.4	-176.1	-58.2	101.9	0	0	0	115.3	V161 P162 N167	V161-N165 PolarHBondContact O-N 2.77Å; P162-N165 PolarHBondContact O-N 2.79Å; N165-N167 PolarHBondContact O-N 2.75Å
166	Y	95	Very high	97.1	Very high	24 Å²	24	57.6 Å²	57.6	9%	0.094	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.1	-176.2	177.1	-88.9	0	0	0	110.1	I159 V160 V161 I164 H168 Y170 L313 P314	I159-Y166 HydrophobicContact CB-CE1 4.04Å; I159-Y166 HydrophobicContact CG2-CD1 4.42Å; I159-Y166 HydrophobicContact CG2-CE1 3.79Å; V160-Y166 CarbonylContact C-O 3.58Å; V160-Y166 VanDerWaalsContact CA-O 3.31Å; V160-Y166 WeakPolarHBondContact CA-O 3.14Å; V161-Y166 HydrophobicContact CB-CD1 4.38Å; V161-Y166 HydrophobicContact CG2-CD1 3.99Å; V161-Y166 PolarHBondContact N-O 3.25Å; V161-Y166 PolarHBondContact O-N 3.33Å; I164-Y166 PolarHBondContact O-N 2.72Å; Y166-H168 AromaticContact CD2-CD2 3.5Å; Y166-H168 HydrophobicContact CE1-CB 4.38Å; Y166-H168 HydrophobicContact CE2-CB 4.46Å; Y166-H168 AromaticContact CE2-CD2 3.32Å; Y166-H168 WeakPolarHBondContact CE2-CD2 3.37Å; Y166-H168 AromaticContact CZ-CD2 3.78Å; Y166-Y170 WeakPolarHBondContact OH-CE2 3.17Å; Y166-Y170 VanDerWaalsContact OH-CZ 3.32Å; Y166-Y170 PolarHBondContact OH-OH 3.26Å; Y166-L313 WeakPolarHBondContact OH-CD1 3.48Å; Y166-L313 WeakPolarHBondContact OH-CG 3.41Å; Y166-P314 HydrophobicContact CD2-CG 4.18Å; Y166-P314 VanDerWaalsContact CE2-CD 3.47Å; Y166-P314 HydrophobicContact CE2-CG 4.3Å; Y166-P314 HydrophobicContact CG-CG 4.4Å
167	N	97.2	Very high	97	Very high	97 Å²	97	58.5 Å²	58.5	52%	0.519	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	91.2	-171.8	179.6	3.9	0	0	0	109.2	H158 N165	H158-N167 PolarHBondContact NE2-OD1 2.8Å; N165-N167 PolarHBondContact O-N 2.75Å
168	H	97	Very high	96.9	Very high	69 Å²	69	64.9 Å²	64.9	32%	0.319	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.8	-170.7	-74.6	-83	0	0	0	113.1	H158 I159 Y166 Y170	H158-H168 PolarHBondContact CD2-O 3.45Å; I159-H168 PolarHBondContact N-O 2.59Å; I159-H168 PolarHBondContact O-N 3.28Å; Y166-H168 AromaticContact CD2-CD2 3.5Å; Y166-H168 HydrophobicContact CE1-CB 4.38Å; Y166-H168 HydrophobicContact CE2-CB 4.46Å; Y166-H168 AromaticContact CE2-CD2 3.32Å; Y166-H168 WeakPolarHBondContact CE2-CD2 3.37Å; Y166-H168 AromaticContact CZ-CD2 3.78Å; H168-Y170 HydrophobicContact CB-CD2 4.34Å; H168-Y170 HydrophobicContact CB-CE2 3.41Å; H168-Y170 VanDerWaalsContact CB-CE2 3.41Å; H168-Y170 WeakPolarHBondContact CB-OH 3.31Å
169	R	97.9	Very high	96.9	Very high	143 Å²	143	65.7 Å²	65.7	54%	0.54	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.6	173.3	-75.1	175.3	165.4	-91	-6.2	110	E115 V157 H158	E115-R169 IonicContact OE1-CZ 3.19Å; E115-R169 IonicContact OE1-NH1 2.83Å; E115-R169 PolarHBondContact OE1-NH1 3.27Å; E115-R169 IonicContact OE1-NH2 2.75Å; E115-R169 PolarHBondContact OE1-NH2 2.89Å; E115-R169 IonicContact OE2-NH2 3.51Å; V157-R169 WeakPolarHBondContact O-CA 3.42Å; H158-R169 HydrophobicContact CB-CG 3.94Å; H158-R169 PolarHBondContact ND1-NE 2.73Å; H158-R169 PolarHBondContact ND1-NH2 3.29Å
170	Y	96.5	Very high	96.9	Very high	29 Å²	29	65.4 Å²	65.4	11%	0.114	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.2	-176.4	-62.6	-82.2	0	0	0	111.6	K156 V157 Y166 H168 K311 L313	K156-Y170 VanDerWaalsContact CA-O 3.31Å; K156-Y170 WeakPolarHBondContact CA-O 3.45Å; V157-Y170 HydrophobicContact CG2-CD2 4.35Å; V157-Y170 PolarHBondContact N-O 3.16Å; V157-Y170 PolarHBondContact O-N 3.02Å; Y166-Y170 WeakPolarHBondContact OH-CE2 3.17Å; Y166-Y170 VanDerWaalsContact OH-CZ 3.32Å; Y166-Y170 PolarHBondContact OH-OH 3.26Å; H168-Y170 HydrophobicContact CB-CD2 4.34Å; H168-Y170 HydrophobicContact CB-CE2 3.41Å; H168-Y170 VanDerWaalsContact CB-CE2 3.41Å; H168-Y170 WeakPolarHBondContact CB-OH 3.31Å; Y170-K311 WeakPolarHBondContact CE1-O 3.46Å; Y170-K311 VanDerWaalsContact CZ-O 3.26Å; Y170-K311 PolarHBondContact OH-O 3.44Å; Y170-L313 HydrophobicContact CD2-CD1 4.03Å; Y170-L313 HydrophobicContact CE1-CD1 4.47Å; Y170-L313 HydrophobicContact CE2-CD1 3.63Å
171	T	97.9	Very high	96.8	Very high	47 Å²	47	65.8 Å²	65.8	29%	0.288	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.4	155.9	-50.5	0	0	0	0	107.8	T154 T155	T154-T171 HydrophobicContact CG2-CG2 3.86Å; T155-T171 WeakPolarHBondContact O-CA 3.24Å
172	T	97.9	Very high	96.7	Very high	3 Å²	3	70.7 Å²	70.7	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	167.9	170.7	53.9	0	0	0	0	109.5	V73 Q74 M84 T154 T155	V73-T172 HydrophobicContact CG1-CG2 4Å; Q74-T172 VanDerWaalsContact O-CB 3.27Å; Q74-T172 WeakPolarHBondContact O-CB 3.48Å; M84-T172 HydrophobicContact CB-CG2 4.43Å; M84-T172 HydrophobicContact SD-CG2 3.89Å; M84-T172 PolarHBondContact SD-OG1 3.43Å; T154-T172 CarbonylContact C-O 3.56Å; T154-T172 WeakPolarHBondContact CA-O 3.43Å; T155-T172 PolarHBondContact N-O 3.1Å; T155-T172 PolarHBondContact O-N 2.7Å; T155-T172 PolarHBondContact OG1-OG1 2.68Å
173	H	97.3	Very high	96.6	Very high	45 Å²	45	66.8 Å²	66.8	21%	0.208	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125	170.8	-50.9	-69	0	0	0	109.2	V73 Q74 D76 T154	V73-H173 CarbonylContact C-O 3.53Å; V73-H173 WeakPolarHBondContact CA-O 3.32Å; Q74-H173 PolarHBondContact N-O 3.49Å; Q74-H173 PolarHBondContact O-N 2.82Å; Q74-H173 VanDerWaalsContact O-N 3.14Å; D76-H173 IonicContact OD1-NE2 2.77Å; T154-H173 PolarHBondContact OG1-ND1 3.13Å
174	L	98.3	Very high	96.2	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104	172.6	-174.5	158.8	0	0	0	107.6	F71 V73 M88 F103 S152 L153 T155 F176	F71-L174 HydrophobicContact CB-CD2 3.64Å; F71-L174 HydrophobicContact CB-CG 4.2Å; F71-L174 HydrophobicContact CD2-CD1 3.83Å; F71-L174 HydrophobicContact CD2-CD2 4.1Å; F71-L174 HydrophobicContact CD2-CG 3.77Å; F71-L174 HydrophobicContact CE2-CD1 4.16Å; F71-L174 HydrophobicContact CG-CD1 4.38Å; F71-L174 HydrophobicContact CG-CD2 4.01Å; F71-L174 HydrophobicContact CG-CG 4.21Å; V73-L174 HydrophobicContact CG2-CB 4.46Å; V73-L174 HydrophobicContact CG2-CD1 4.23Å; V73-L174 HydrophobicContact CG2-CG 4.27Å; M88-L174 HydrophobicContact CE-CD1 3.73Å; M88-L174 HydrophobicContact SD-CD1 4.3Å; F103-L174 HydrophobicContact CE1-CD1 3.73Å; F103-L174 HydrophobicContact CE1-CD2 4.19Å; F103-L174 HydrophobicContact CZ-CD1 4.12Å; F103-L174 HydrophobicContact CZ-CD2 4.25Å; S152-L174 CarbonylContact C-O 3.51Å; S152-L174 WeakPolarHBondContact CA-O 3.36Å; S152-L174 WeakPolarHBondContact CB-O 3.46Å; L153-L174 HydrophobicContact CB-CB 4.44Å; L153-L174 PolarHBondContact N-O 3.37Å; L153-L174 PolarHBondContact O-N 2.86Å; T155-L174 HydrophobicContact CG2-CB 4.08Å; L174-F176 HydrophobicContact CD2-CD1 3.74Å; L174-F176 HydrophobicContact CD2-CE1 3.36Å; L174-F176 HydrophobicContact CD2-CG 4.48Å; L174-F176 HydrophobicContact CD2-CZ 3.84Å
175	E	98.1	Very high	95.3	Very high	61 Å²	61	62.6 Å²	62.6	29%	0.285	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.8	178.2	-62.7	-61.3	128.4	0	0	109.9	F71 Q72 Q74 S152	F71-E175 CarbonylContact C-O 3.5Å; F71-E175 WeakPolarHBondContact CA-O 3.43Å; F71-E175 WeakPolarHBondContact CB-O 3.34Å; Q72-E175 PolarHBondContact N-O 3.37Å; Q72-E175 PolarHBondContact O-N 3.2Å; Q74-E175 HydrophobicContact CG-CG 4.41Å; S152-E175 WeakPolarHBondContact CB-OE1 3.31Å; S152-E175 WeakPolarHBondContact CB-OE2 3.4Å; S152-E175 PolarHBondContact OG-OE1 2.91Å
176	F	98.4	Very high	94.1	Very high	17 Å²	17	57.1 Å²	57.1	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.9	172.4	-58.9	-61.9	0	0	0	110.7	I69 F71 F103 K151 L153 L174 K178 I180	I69-F176 HydrophobicContact CD1-CB 3.99Å; I69-F176 HydrophobicContact CD1-CD1 3.95Å; I69-F176 HydrophobicContact CD1-CG 4.02Å; I69-F176 HydrophobicContact CG1-CB 4.49Å; I69-F176 HydrophobicContact CG1-CD1 4.38Å; F71-F176 HydrophobicContact CB-CD1 4.02Å; F103-F176 HydrophobicContact CB-CE1 4.48Å; F103-F176 HydrophobicContact CB-CZ 4.21Å; F103-F176 HydrophobicContact CD1-CE1 4.09Å; F103-F176 HydrophobicContact CD1-CZ 4.19Å; F103-F176 AromaticContact CD2-CE1 3.54Å; F103-F176 HydrophobicContact CD2-CE1 3.54Å; F103-F176 HydrophobicContact CD2-CZ 4.12Å; F103-F176 HydrophobicContact CE1-CE1 4.16Å; F103-F176 HydrophobicContact CE2-CD1 4.39Å; F103-F176 AromaticContact CE2-CE1 3.63Å; F103-F176 HydrophobicContact CE2-CE1 3.63Å; F103-F176 AromaticContact CG-CE1 3.78Å; F103-F176 HydrophobicContact CG-CE1 3.78Å; F103-F176 AromaticContact CG-CZ 3.91Å; F103-F176 HydrophobicContact CG-CZ 3.91Å; F103-F176 AromaticContact CZ-CE1 3.94Å; F103-F176 HydrophobicContact CZ-CE1 3.94Å; K151-F176 WeakPolarHBondContact O-CB 3.5Å; K151-F176 VanDerWaalsContact O-CD2 3.29Å; K151-F176 WeakPolarHBondContact O-CD2 3.38Å; K151-F176 PolarHBondContact O-N 2.97Å; L153-F176 HydrophobicContact CD1-CE2 4.4Å; L153-F176 HydrophobicContact CD1-CZ 3.8Å; L153-F176 HydrophobicContact CD2-CE2 4.03Å; L153-F176 HydrophobicContact CD2-CZ 4.24Å; L153-F176 HydrophobicContact CG-CE2 3.91Å; L153-F176 HydrophobicContact CG-CZ 3.79Å; L174-F176 HydrophobicContact CD2-CD1 3.74Å; L174-F176 HydrophobicContact CD2-CE1 3.36Å; L174-F176 HydrophobicContact CD2-CG 4.48Å; L174-F176 HydrophobicContact CD2-CZ 3.84Å; F176-K178 WeakPolarHBondContact CB-O 3.46Å; F176-K178 PolarHBondContact O-N 3.28Å; F176-K178 VanDerWaalsContact O-N 3.15Å; F176-I180 HydrophobicContact CD2-CD1 4.04Å; F176-I180 HydrophobicContact CD2-CG1 4.05Å; F176-I180 HydrophobicContact CE1-CD1 4.24Å; F176-I180 HydrophobicContact CE2-CD1 3.74Å; F176-I180 HydrophobicContact CE2-CG1 3.83Å; F176-I180 HydrophobicContact CG-CD1 4.43Å; F176-I180 HydrophobicContact CZ-CD1 3.85Å; F176-I180 HydrophobicContact CZ-CG1 4.41Å
177	E	97.2	Very high	92.4	Very high	108 Å²	108	60.3 Å²	60.3	51%	0.505	34%	0.335	S	S	.	.	S	Bend	trans	-55.9	-33.6	176.5	-171.4	-143	141.3	0	0	112.3	N70	N70-E177 HydrophobicContact CB-CB 3.85Å; N70-E177 HydrophobicContact CB-CG 4.34Å; N70-E177 WeakPolarHBondContact CB-OE2 3.42Å; N70-E177 PolarHBondContact ND2-OE2 3.04Å; N70-E177 WeakPolarHBondContact O-CB 3.07Å; N70-E177 PolarHBondContact O-N 3.46Å
178	K	96.5	Very high	90.3	Very high	138 Å²	138	63.6 Å²	63.6	60%	0.6	34%	0.344	S	S	*	.	S	Bend	trans	-139.5	151.8	175	-61.5	-175	175.2	85	0	107.9	F176	F176-K178 WeakPolarHBondContact CB-O 3.46Å; F176-K178 PolarHBondContact O-N 3.28Å; F176-K178 VanDerWaalsContact O-N 3.15Å
179	A	97.7	Very high	88	Confident	35 Å²	35	65.2 Å²	65.2	29%	0.289	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-59.8	146.8	175.7	0	0	0	0	0	111.1	Y150 K151 P181	Y150-A179 CarbonylContact O-C 3.58Å; Y150-A179 VanDerWaalsContact O-CA 3.3Å; Y150-A179 WeakPolarHBondContact O-CA 3.4Å; K151-A179 HydrophobicContact CG-CB 3.88Å; A179-P181 WeakPolarHBondContact O-CD 3.26Å; A179-P181 VanDerWaalsContact O-N 3.09Å
180	I	97.5	Very high	85.7	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.015	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-50.1	117.6	178.5	-63.6	-68.8	0	0	0	109.3	I69 V94 V146 P148 G149 Y150 F176	I69-I180 HydrophobicContact CD1-CD1 3.85Å; V94-I180 HydrophobicContact CG1-CG2 3.99Å; V94-I180 HydrophobicContact CG2-CD1 3.65Å; V146-I180 HydrophobicContact CB-CG1 4.46Å; V146-I180 HydrophobicContact CG2-CD1 4.14Å; V146-I180 HydrophobicContact CG2-CG1 4.17Å; V146-I180 HydrophobicContact CG2-CG2 4.14Å; P148-I180 CarbonylContact C-O 3.53Å; P148-I180 VanDerWaalsContact CA-O 3.28Å; P148-I180 WeakPolarHBondContact CA-O 3.27Å; G149-I180 PolarHBondContact N-O 2.85Å; Y150-I180 PolarHBondContact O-N 3.27Å; F176-I180 HydrophobicContact CD2-CD1 4.04Å; F176-I180 HydrophobicContact CD2-CG1 4.05Å; F176-I180 HydrophobicContact CE1-CD1 4.24Å; F176-I180 HydrophobicContact CE2-CD1 3.74Å; F176-I180 HydrophobicContact CE2-CG1 3.83Å; F176-I180 HydrophobicContact CG-CD1 4.43Å; F176-I180 HydrophobicContact CZ-CD1 3.85Å; F176-I180 HydrophobicContact CZ-CG1 4.41Å
181	P	95.8	Very high	83.2	Confident	39 Å²	39	71.2 Å²	71.2	25%	0.253	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-82.9	148.6	-174	30.8	-33	0	0	0	112	Y101 A179 L183	Y101-P181 WeakPolarHBondContact CE1-O 3.25Å; A179-P181 WeakPolarHBondContact O-CD 3.26Å; A179-P181 VanDerWaalsContact O-N 3.09Å; P181-L183 HydrophobicContact CG-CD2 4.04Å; P181-L183 PolarHBondContact O-N 2.94Å
182	T	94.9	Very high	80.7	Confident	112 Å²	112	74.8 Å²	74.8	69%	0.687	43%	0.427	S	S	*	.			trans	-67.4	115	167.2	-55.3	0	0	0	0	109
183	L	92.1	Very high	78.3	Confident	12 Å²	12	82.8 Å²	82.8	6%	0.063	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-89.9	139.4	177.5	-56.7	-174	0	0	0	110.1	T65 Q67 V94 K96 Y101 P181	T65-L183 HydrophobicContact CG2-CB 4.1Å; T65-L183 HydrophobicContact CG2-CD1 4.2Å; Q67-L183 HydrophobicContact CG-CD1 4.49Å; Q67-L183 HydrophobicContact CG-CD2 3.89Å; Q67-L183 VanDerWaalsContact OE1-CD2 3.23Å; V94-L183 HydrophobicContact CG1-CD1 4.09Å; K96-L183 HydrophobicContact CB-CB 3.89Å; K96-L183 HydrophobicContact CB-CD1 3.95Å; K96-L183 HydrophobicContact CB-CG 4.32Å; K96-L183 HydrophobicContact CD-CB 4.07Å; K96-L183 VanDerWaalsContact CD-O 3.22Å; K96-L183 WeakPolarHBondContact CD-O 3.48Å; K96-L183 PolarHBondContact NZ-O 3.06Å; Y101-L183 HydrophobicContact CE1-CB 4.13Å; Y101-L183 HydrophobicContact CE1-CG 4.06Å; Y101-L183 PolarHBondContact OH-N 3.22Å; Y101-L183 PolarHBondContact OH-O 2.81Å; P181-L183 HydrophobicContact CG-CD2 4.04Å; P181-L183 PolarHBondContact O-N 2.94Å
184	A	85.7	Confident	75.7	Confident	78 Å²	78	86 Å²	86	65%	0.645	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-59.6	144.6	165.5	0	0	0	0	0	109.7	T65 A186	T65-A184 WeakPolarHBondContact CB-O 3.26Å; T65-A184 PolarHBondContact OG1-O 2.84Å; A184-A186 PolarHBondContact O-N 2.6Å
185	D	77.6	Confident	73.2	Confident	105 Å²	105	92.3 Å²	92.3	56%	0.561	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-64.7	131.1	166.8	-62.4	-70.6	0	0	0	108.9	K96 A187	K96-D185 WeakPolarHBondContact CE-OD1 3.18Å; K96-D185 IonicContact NZ-OD1 2.78Å; K96-D185 PolarHBondContact NZ-OD1 3.02Å; K96-D185 IonicContact NZ-OD2 3.67Å; K96-D185 PolarHBondContact NZ-OD2 3.23Å; D185-A187 PolarHBondContact O-N 3.04Å
186	A	69.4	Low	71.1	Confident	35 Å²	35	97.3 Å²	97.3	29%	0.289	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-57.6	131.3	179.4	0	0	0	0	0	108.9	Q63 T65 A184 K188	Q63-A186 HydrophobicContact CB-CB 4.3Å; Q63-A186 PolarHBondContact NE2-O 3.32Å; Q63-A186 VanDerWaalsContact NE2-O 3.13Å; T65-A186 PolarHBondContact OG1-N 3.22Å; A184-A186 PolarHBondContact O-N 2.6Å; A186-K188 PolarHBondContact O-N 2.87Å; A186-K188 VanDerWaalsContact O-N 3.08Å
187	A	59.3	Low	68.5	Low	91 Å²	91	101.9 Å²	101.9	75%	0.752	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-50.5	120.7	-170.7	0	0	0	0	0	110.5	Q63 D185	Q63-A187 PolarHBondContact NE2-O 2.81Å; D185-A187 PolarHBondContact O-N 3.04Å
188	K	53	Low	66.3	Low	166 Å²	166	106.1 Å²	106.1	72%	0.722	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-54.6	133.3	177	-166.3	172.9	-172.9	173.9	0	108	A186 N190	A186-K188 PolarHBondContact O-N 2.87Å; A186-K188 VanDerWaalsContact O-N 3.08Å; K188-N190 PolarHBondContact O-N 3.14Å
189	P	50.2	Low	63.9	Low	103 Å²	103	105 Å²	105	67%	0.669	60%	0.603	S	S	*	*			trans	-57.3	110.8	173.2	23.6	-32.7	0	0	0	107.3	N191	P189-N191 PolarHBondContact O-N 3.16Å
190	N	47.7	Very low	61.2	Low	150 Å²	150	108 Å²	108	80%	0.802	63%	0.628	S	S	*	*			trans	-58	128.6	-178.4	-93.8	-23.7	0	0	0	107.7	K188 V192	K188-N190 PolarHBondContact O-N 3.14Å; N190-V192 VanDerWaalsContact C-N 3.32Å; N190-V192 WeakPolarHBondContact O-CG2 3.36Å; N190-V192 PolarHBondContact O-N 2.98Å
191	N	44.3	Very low	59	Low	147 Å²	147	116.5 Å²	116.5	79%	0.786	67%	0.668	S	S	*	*			trans	-64.7	94.1	-178.8	-178.6	17.4	0	0	0	108.8	P189 K193	P189-N191 PolarHBondContact O-N 3.16Å; N191-K193 PolarHBondContact O-N 2.85Å
192	V	45.1	Very low	56.4	Low	123 Å²	123	120 Å²	120	75%	0.745	69%	0.69	S	S	*	*			trans	-68.8	89.7	175.6	-173.1	0	0	0	0	106.6	N190	N190-V192 VanDerWaalsContact C-N 3.32Å; N190-V192 WeakPolarHBondContact O-CG2 3.36Å; N190-V192 PolarHBondContact O-N 2.98Å
193	K	47.4	Very low	54	Low	171 Å²	171	124.5 Å²	124.5	74%	0.743	70%	0.701	S	S	*	*			trans	-44	125.2	177.9	-179.1	-177.3	179.1	-177.5	0	108.4	N191 V195	N191-K193 PolarHBondContact O-N 2.85Å; K193-V195 PolarHBondContact O-N 3.26Å
194	P	44.2	Very low	51.6	Low	111 Å²	111	130.3 Å²	130.3	72%	0.721	74%	0.737	S	S	*	*			trans	-52.3	117.7	-175	-29.6	35.3	0	0	0	111.3	Q196	P194-Q196 VanDerWaalsContact C-N 3.26Å; P194-Q196 PolarHBondContact O-N 3.07Å
195	V	45.7	Very low	49.7	Very low	134 Å²	134	131.9 Å²	131.9	81%	0.812	74%	0.74	S	S	*	*			trans	-74.8	89.8	172.3	-179.4	0	0	0	0	106.6	K193	K193-V195 PolarHBondContact O-N 3.26Å
196	Q	52.5	Low	47.9	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-50.3	124	177.2	178.7	179.4	-15.6	0	0	109.9	P194 K198	P194-Q196 VanDerWaalsContact C-N 3.26Å; P194-Q196 PolarHBondContact O-N 3.07Å; Q196-K198 PolarHBondContact O-N 3.03Å; Q196-K198 VanDerWaalsContact O-N 3.12Å
197	P	45.7	Very low	46.8	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-60.4	118.3	175.5	-22.8	33.6	0	0	0	110
198	K	50.1	Low	46.3	Very low	196 Å²	196	141.4 Å²	141.4	85%	0.852	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-70.6	127.3	170.4	-172.7	172.8	-178.5	176.7	0	108	Q196 A200	Q196-K198 PolarHBondContact O-N 3.03Å; Q196-K198 VanDerWaalsContact O-N 3.12Å; K198-A200 PolarHBondContact O-N 3.12Å
199	P	46.1	Very low	45.7	Very low	114 Å²	114	139.9 Å²	139.9	74%	0.74	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-57.9	128.8	-177.5	-26.6	35.1	0	0	0	112.3	Q201	P199-Q201 PolarHBondContact O-N 3.16Å
200	A	40.4	Very low	45.7	Very low	100 Å²	100	144 Å²	144	83%	0.826	78%	0.781	S	S	*	*			trans	-78.5	111.3	170.4	0	0	0	0	0	108.9	K198	K198-A200 PolarHBondContact O-N 3.12Å
201	Q	52.4	Low	45.3	Very low	181 Å²	181	142.6 Å²	142.6	85%	0.846	78%	0.78	S	S	*	*			trans	-72.9	131.3	-179.4	-172.3	174.9	-5.7	0	0	110.6	P199	P199-Q201 PolarHBondContact O-N 3.16Å
202	P	39.9	Very low	45.3	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	78%	0.783	S	S	*	*			trans	-67.7	148.3	-179.3	-19.1	31.7	0	0	0	113
203	K	45.3	Very low	45.7	Very low	208 Å²	208	144.5 Å²	144.5	90%	0.904	79%	0.786	S	S	*	*			trans	-128.6	113.6	157	-73.3	-165.4	174.5	-171.2	0	109.1
204	T	40.8	Very low	45.3	Very low	134 Å²	134	142 Å²	142	82%	0.822	79%	0.787	S	S	*	*			trans	-77.9	146.9	-175.8	-45.2	0	0	0	0	110.9
205	P	45.7	Very low	45.4	Very low	110 Å²	110	145.9 Å²	145.9	71%	0.714	79%	0.792	S	S	*	*			trans	-106.2	156.8	-168.7	39.3	-34.7	0	0	0	115
206	T	41.7	Very low	45.2	Very low	134 Å²	134	145.7 Å²	145.7	82%	0.822	79%	0.791	S	S	*	*			trans	-164.9	158.4	155.5	33.8	0	0	0	0	108.9
207	E	45.1	Very low	44.8	Very low	145 Å²	145	146.1 Å²	146.1	68%	0.678	79%	0.793	S	S	*	*			cis	-167.5	153.3	-29.9	177.9	156	-162.8	0	0	110
208	Q	48.1	Very low	44.7	Very low	153 Å²	153	149.6 Å²	149.6	72%	0.715	80%	0.797	S	S	*	*			trans	44.2	124.3	164	-70.7	170.6	48.7	0	0	119.6
209	T	41.8	Very low	44.5	Very low	134 Å²	134	147.3 Å²	147.3	82%	0.822	80%	0.798	S	S	*	*				175.4	168	90.3	33.2	0	0	0	0	109.2
210	K	50.3	Low	44.5	Very low	189 Å²	189	149.9 Å²	149.9	82%	0.822	80%	0.798	S	S	*	*			cis	-159.5	140.6	-23.5	171.9	177.5	178.4	179.4	0	106.8
211	P	39.2	Very low	44.4	Very low	120 Å²	120	150.8 Å²	150.8	78%	0.779	80%	0.795	S	S	*	*			trans	-103.5	148.8	-163.3	37.8	-35.4	0	0	0	116.8
212	V	44.8	Very low	43.9	Very low	138 Å²	138	147.7 Å²	147.7	84%	0.836	79%	0.789	S	S	*	*			trans	-160.4	149.5	167.5	179.8	0	0	0	0	106.6
213	Q	52.7	Low	44.2	Very low	173 Å²	173	148 Å²	148	81%	0.808	79%	0.789	S	S	*	*			cis	-165.9	142.9	-35	177.5	176.3	-19.7	0	0	106.5
214	P	39.1	Very low	44.1	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	78%	0.782	S	S	*	*			trans	-88.7	160.9	-169.7	35.3	-36.6	0	0	0	114.7
215	K	45.4	Very low	44.1	Very low	193 Å²	193	142.9 Å²	142.9	84%	0.839	78%	0.775	S	S	*	*			trans	-136.2	147.3	165.4	-165.7	172.4	-179.4	-175.2	0	110.2
216	V	41.9	Very low	43.9	Very low	130 Å²	130	143.8 Å²	143.8	79%	0.788	78%	0.779	S	S	*	*			trans	-133.6	129.5	-168.9	177.9	0	0	0	0	111.2
217	E	44.2	Very low	44.1	Very low	174 Å²	174	142.2 Å²	142.2	81%	0.813	77%	0.773	S	S	*	*			trans	-160.8	116.5	175	-159.3	149.3	-147.9	0	0	106.9
218	K	43.2	Very low	43.8	Very low	187 Å²	187	142.9 Å²	142.9	81%	0.813	77%	0.774	S	S	*	*			cis	102.7	82.3	21.2	-167.8	-164.4	173.6	-177.7	0	114.2
219	V	46.9	Very low	43.6	Very low	147 Å²	147	141 Å²	141	89%	0.891	77%	0.773	S	S	*	*			trans	-176.9	156.4	149.3	-91.9	0	0	0	0	108.1
220	K	45.9	Very low	43.4	Very low	168 Å²	168	141.6 Å²	141.6	73%	0.73	77%	0.766	S	S	*	*			cis	-166.8	132.9	-22.6	166.5	-172.5	170.9	-171.8	0	107.5
221	P	37.4	Very low	43.1	Very low	119 Å²	119	139.9 Å²	139.9	77%	0.773	77%	0.766	S	S	*	*			trans	-94.4	160.6	165.9	36.2	-32.2	0	0	0	112.8
222	T	42.8	Very low	43.1	Very low	116 Å²	116	140.5 Å²	140.5	71%	0.712	76%	0.763	S	S	*	*			trans	-139.6	150.6	171.3	-54.8	0	0	0	0	109.3
223	V	46.8	Very low	42.9	Very low	119 Å²	119	142 Å²	142	72%	0.721	76%	0.76	S	S	*	*			trans	-139	145.8	-167.4	-178.8	0	0	0	0	111.6
224	T	42.4	Very low	42.3	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	76%	0.762	S	S	*	*			trans	-151.6	109.3	162	-36.4	0	0	0	0	106.5
225	T	41.4	Very low	42.1	Very low	109 Å²	109	139 Å²	139	67%	0.669	76%	0.757	S	S	*	*				60.2	137.7	68.4	64.9	0	0	0	0	114.1
226	T	41.8	Very low	41.8	Very low	128 Å²	128	139.3 Å²	139.3	79%	0.785	76%	0.758	S	S	*	*			cis	-155.1	172.4	3.2	-13	0	0	0	0	108
227	S	44.7	Very low	41.4	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	75%	0.754	S	S	*	*			cis	-137.4	-159.6	14.5	-66.9	0	0	0	0	110
228	K	39	Very low	41.1	Very low	159 Å²	159	136.6 Å²	136.6	69%	0.691	75%	0.753	S	S	*	*			cis	67.5	145.6	19.7	-111.7	-177.4	-174.3	-71.2	0	115.7	E230	K228-E230 IonicContact NZ-OE2 2.58Å; K228-E230 PolarHBondContact NZ-OE2 3.44Å
229	V	43.1	Very low	41	Very low	114 Å²	114	132.1 Å²	132.1	69%	0.691	75%	0.745	S	S	*	*			cis	-141.2	129.8	11.5	-167.6	0	0	0	0	106.5
230	E	37.7	Very low	40.4	Very low	146 Å²	146	131.1 Å²	131.1	68%	0.682	74%	0.74	S	S	*	*				74.1	108.2	62.3	-145.3	177.3	-179.4	0	0	114.9	K228	K228-E230 IonicContact NZ-OE2 2.58Å; K228-E230 PolarHBondContact NZ-OE2 3.44Å
231	D	43.9	Very low	40.2	Very low	153 Å²	153	130.7 Å²	130.7	82%	0.818	75%	0.745	S	S	*	*			trans	-168.4	-179.2	140.8	-140.6	-21.9	0	0	0	114
232	N	39.5	Very low	40.1	Very low	134 Å²	134	130.6 Å²	130.6	72%	0.717	74%	0.743	S	S	*	*			trans	-122.3	149.7	-153.8	-69.3	-88.9	0	0	0	117.6
233	H	41.2	Very low	40	Very low	170 Å²	170	131 Å²	131	79%	0.787	75%	0.745	S	S	*	*			trans	25.5	118.8	132.3	-165.1	96.1	0	0	0	121.2
234	S	40	Very low	39.8	Very low	120 Å²	120	134 Å²	134	84%	0.839	75%	0.749	S	S	*	*			trans	-162.4	171.1	139.5	-156.6	0	0	0	0	113.3
235	T	34.3	Very low	39.5	Very low	108 Å²	108	134.8 Å²	134.8	66%	0.663	75%	0.748	S	S	*	*			trans	-133.5	129	-169.9	-56.9	0	0	0	0	113
236	K	39.3	Very low	39.8	Very low	198 Å²	198	137.8 Å²	137.8	86%	0.861	75%	0.754	S	S	*	*			trans	-173.7	138.5	150.1	-96.8	-169.7	178.4	-179.6	0	107.9
237	V	34.4	Very low	39.8	Very low	116 Å²	116	138.3 Å²	138.3	70%	0.703	76%	0.758	S	S	*	*			cis	94.8	136.4	38.4	168.1	0	0	0	0	112.9
238	V	38.7	Very low	39.6	Very low	132 Å²	132	143.3 Å²	143.3	80%	0.8	77%	0.767	S	S	*	*			trans	73.6	141.7	174.3	158.3	0	0	0	0	115.9
239	S	39.4	Very low	39.3	Very low	92 Å²	92	142.3 Å²	142.3	64%	0.643	77%	0.774	S	S	*	*			cis	-163.4	165.5	-28.4	-88.9	0	0	0	0	110.1
240	T	34.4	Very low	39.4	Very low	127 Å²	127	145.3 Å²	145.3	78%	0.779	78%	0.78	S	S	*	*			trans	8.5	131.4	151.7	57.9	0	0	0	0	120.1
241	D	42.6	Very low	39.5	Very low	158 Å²	158	143.4 Å²	143.4	85%	0.845	78%	0.779	S	S	*	*				-150.7	177.1	107.3	-143.6	-19.6	0	0	0	112.9
242	T	34.7	Very low	39.3	Very low	117 Å²	117	140 Å²	140	72%	0.718	77%	0.772	S	S	*	*			trans	-113.8	148	-161	-39.5	0	0	0	0	110.4
243	T	41.5	Very low	39.5	Very low	124 Å²	124	142.8 Å²	142.8	76%	0.761	78%	0.78	S	S	*	*			trans	-163.7	118.6	150.6	-91.9	0	0	0	0	114.7
244	K	43.1	Very low	39.3	Very low	184 Å²	184	140.8 Å²	140.8	80%	0.8	78%	0.78	S	S	*	*			trans	55.3	103.2	147.1	-62	173.5	-170.4	170.3	0	121.1
245	D	35	Very low	39.4	Very low	140 Å²	140	142 Å²	142	75%	0.749	78%	0.782	S	S	*	*			trans	-53.8	140.1	138.2	164.6	41.5	0	0	0	112.7
246	Q	48.6	Very low	39.7	Very low	172 Å²	172	145.6 Å²	145.6	80%	0.804	79%	0.789	S	S	*	*			trans	-176.9	120.1	133.7	-107.6	172.4	103.3	0	0	112.8
247	T	41.2	Very low	39.6	Very low	139 Å²	139	142.7 Å²	142.7	85%	0.853	79%	0.788	S	S	*	*				-174.3	138.9	126	-75.4	0	0	0	0	109.9
248	K	40.5	Very low	39.8	Very low	207 Å²	207	141.2 Å²	141.2	90%	0.9	79%	0.787	S	S	*	*			trans	-96.5	151.7	-166.6	-108.5	179.1	178.6	175.1	0	114.7
249	T	32.9	Very low	39.8	Very low	137 Å²	137	144.1 Å²	144.1	84%	0.84	79%	0.793	S	S	*	*			trans	-93.9	139.2	165	-50	0	0	0	0	112.1
250	Q	45.8	Very low	39.7	Very low	177 Å²	177	146 Å²	146	83%	0.827	80%	0.8	S	S	*	*			trans	-151.6	142.4	155.8	-142	163	47.1	0	0	104.8
251	T	38.6	Very low	39.9	Very low	106 Å²	106	144.5 Å²	144.5	65%	0.65	80%	0.801	S	S	*	*			cis	-156	118	40.1	-59.1	0	0	0	0	106.6
252	A	39.1	Very low	39.8	Very low	81 Å²	81	145.3 Å²	145.3	67%	0.669	80%	0.8	S	S	*	*				63.5	92.6	75.2	0	0	0	0	0	115.4
253	H	44.5	Very low	39.9	Very low	193 Å²	193	147.6 Å²	147.6	89%	0.894	80%	0.802	S	S	*	*			trans	-133.8	133.3	157.8	-85.7	-73.1	0	0	0	110.7
254	T	36.9	Very low	39.9	Very low	128 Å²	128	151 Å²	151	79%	0.785	81%	0.809	S	S	*	*			trans	-120.1	134.1	-170.6	-61.3	0	0	0	0	110.5
255	V	41.4	Very low	39.6	Very low	146 Å²	146	148.6 Å²	148.6	89%	0.885	81%	0.805	S	S	*	*			trans	-134.4	130	162	-175.6	0	0	0	0	109.2
256	K	41.4	Very low	39.8	Very low	184 Å²	184	149.7 Å²	149.7	80%	0.8	80%	0.803	S	S	*	*			trans	-78.5	161.6	174.8	-60	170.9	177.1	175.2	0	110.4
257	T	37.3	Very low	39.1	Very low	137 Å²	137	147.3 Å²	147.3	84%	0.84	80%	0.8	S	S	*	*				-162.6	145	128.2	-82.9	0	0	0	0	112
258	A	38.1	Very low	39	Very low	84 Å²	84	147.4 Å²	147.4	69%	0.694	79%	0.791	S	S	*	*			trans	1.6	140.2	169.1	0	0	0	0	0	122.2
259	Q	38.5	Very low	39	Very low	194 Å²	194	143 Å²	143	91%	0.907	78%	0.782	S	S	*	*			trans	-63.9	148.6	148.8	-61.7	159.7	-48.5	0	0	110.1
260	T	38.4	Very low	39.4	Very low	131 Å²	131	142.4 Å²	142.4	80%	0.804	78%	0.78	S	S	*	*			trans	-135.6	127.5	162	-60.4	0	0	0	0	108.6
261	A	37.6	Very low	39.4	Very low	96 Å²	96	140.7 Å²	140.7	79%	0.793	78%	0.781	S	S	*	*			trans	-81.9	148.8	-179.6	0	0	0	0	0	111.9
262	Q	40.6	Very low	39.9	Very low	175 Å²	175	144.7 Å²	144.7	82%	0.818	79%	0.79	S	S	*	*			trans	-132.5	106.3	162.8	-73	-158.6	-38.5	0	0	111.7
263	E	37.2	Very low	40	Very low	165 Å²	165	148.8 Å²	148.8	77%	0.771	80%	0.8	S	S	*	*			trans	42	84.5	139.3	-58.4	-178.3	105.7	0	0	119	N265	E263-N265 PolarHBondContact O-N 3.29Å
264	Q	40.4	Very low	40	Very low	195 Å²	195	146.1 Å²	146.1	91%	0.911	80%	0.797	S	S	*	*			trans	-77.8	88.4	148.2	-77.5	-168.7	-17.6	0	0	110	K266	Q264-K266 PolarHBondContact O-N 3Å
265	N	38.7	Very low	40.4	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	80%	0.798	S	S	*	*			trans	-80.8	77	179.8	-163.5	-1	0	0	0	112.1	E263 V267	E263-N265 PolarHBondContact O-N 3.29Å; N265-V267 PolarHBondContact O-N 3.22Å
266	K	37.4	Very low	40.1	Very low	163 Å²	163	144.4 Å²	144.4	71%	0.709	80%	0.797	S	S	*	*			trans	-94.8	78.8	178.3	-166.6	-170.5	-176	-61.8	0	112.2	Q264 Q268	Q264-K266 PolarHBondContact O-N 3Å; K266-Q268 VanDerWaalsContact NZ-OE1 3.1Å; K266-Q268 PolarHBondContact O-N 3.28Å
267	V	34.9	Very low	40.3	Very low	121 Å²	121	140.4 Å²	140.4	73%	0.733	80%	0.798	S	S	*	*			trans	-71.7	112.2	169.7	177.6	0	0	0	0	110.3	N265	N265-V267 PolarHBondContact O-N 3.22Å
268	Q	39	Very low	40.3	Very low	141 Å²	141	142.5 Å²	142.5	66%	0.659	80%	0.796	S	S	*	*			trans	-160.6	99.2	161.2	-113.2	159.3	9.6	0	0	111.8	K266	K266-Q268 VanDerWaalsContact NZ-OE1 3.1Å; K266-Q268 PolarHBondContact O-N 3.28Å
269	T	40.4	Very low	40.4	Very low	115 Å²	115	144.6 Å²	144.6	71%	0.706	81%	0.805	S	S	*	*			trans	31.5	102.2	145.2	52.6	0	0	0	0	118.8
270	P	41.1	Very low	40.5	Very low	124 Å²	124	143.2 Å²	143.2	81%	0.805	80%	0.799	S	S	*	*			trans	-75.4	115.9	149.6	31.6	-29.2	0	0	0	109.1
271	V	45.8	Very low	40.6	Very low	142 Å²	142	142.7 Å²	142.7	86%	0.861	80%	0.8	S	S	*	*			trans	-74.5	128.5	160.1	-78.7	0	0	0	0	108.3
272	K	49.3	Very low	40.6	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	80%	0.799	S	S	*	*			trans	-105	131.7	166.3	-83	-172	171.8	-174.3	0	108.2
273	D	41.8	Very low	40.6	Very low	167 Å²	167	143.6 Å²	143.6	89%	0.893	80%	0.798	S	S	*	*			trans	-61.8	135.9	165.1	-62.7	-68.3	0	0	0	110.2
274	V	43.1	Very low	40.8	Very low	137 Å²	137	144.7 Å²	144.7	83%	0.83	80%	0.803	S	S	*	*			trans	-111.9	113.7	174.6	173.4	0	0	0	0	107.9
275	A	46.4	Very low	40.9	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	79%	0.794	S	S	*	*			trans	-81	143.5	172.6	0	0	0	0	0	111.2
276	T	34.6	Very low	41	Very low	142 Å²	142	139.8 Å²	139.8	87%	0.871	80%	0.799	S	S	*	*			trans	-70	133.4	-172.7	-51.9	0	0	0	0	114
277	A	45.6	Very low	41.2	Very low	99 Å²	99	137.7 Å²	137.7	82%	0.818	81%	0.805	S	S	*	*			trans	-147.7	138.9	155.1	0	0	0	0	0	110.5
278	K	37.8	Very low	41.6	Very low	182 Å²	182	139 Å²	139	79%	0.791	81%	0.808	S	S	*	*			trans	-90.1	151.7	175.3	-70.1	-176.3	172.9	-168.1	0	111.4
279	S	40.9	Very low	41.8	Very low	127 Å²	127	140.3 Å²	140.3	89%	0.888	82%	0.82	S	S	*	*			trans	-158.1	156.5	133.4	-136.5	0	0	0	0	111.2
280	E	40.3	Very low	41.7	Very low	166 Å²	166	143.5 Å²	143.5	78%	0.776	82%	0.824	S	S	*	*			trans	-124.2	143.2	-170	-63.7	159	146.7	0	0	110.2
281	S	40.5	Very low	41.7	Very low	120 Å²	120	141.8 Å²	141.8	84%	0.839	82%	0.815	S	S	*	*			trans	-168	149.1	150.4	-163.1	0	0	0	0	112.2
282	N	37.3	Very low	41.7	Very low	141 Å²	141	142.8 Å²	142.8	75%	0.754	81%	0.81	S	S	*	*			trans	-106.5	159.7	173.7	-73.7	-48.4	0	0	0	110.9
283	N	40.7	Very low	41.4	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	81%	0.805	S	S	*	*				166.5	104.8	117.5	-81.9	-16	0	0	0	114.4
284	Q	41.5	Very low	41.1	Very low	188 Å²	188	137.6 Å²	137.6	88%	0.879	79%	0.79	S	S	*	*				34.8	156	121.2	-146.7	164.4	13.2	0	0	123.8
285	A	41	Very low	40.8	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	79%	0.788	S	S	*	*			trans	80	118.1	175.1	0	0	0	0	0	115.7
286	V	40.8	Very low	40.5	Very low	138 Å²	138	143.3 Å²	143.3	84%	0.836	79%	0.793	S	S	*	*			cis	87.7	108.6	38.7	177.2	0	0	0	0	113.8
287	S	43.4	Very low	40.4	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	79%	0.788	S	S	*	*			trans	-170.8	134.4	145.5	-143.6	0	0	0	0	112
288	D	41.5	Very low	40.1	Very low	150 Å²	150	144.6 Å²	144.6	80%	0.802	79%	0.79	S	S	*	*			trans	-89.6	149.4	172.4	-62.1	-82.6	0	0	0	112.7
289	N	44.2	Very low	40.1	Very low	168 Å²	168	144.8 Å²	144.8	90%	0.898	79%	0.791	S	S	*	*			trans	-162.1	173.3	138.8	-127.1	-52.5	0	0	0	115.7
290	K	38.8	Very low	39.9	Very low	181 Å²	181	147.2 Å²	147.2	79%	0.787	79%	0.788	S	S	*	*			trans	-141.2	125	-154.7	163.7	-164.3	170.6	-172.3	0	113.7
291	S	41.2	Very low	39.6	Very low	89 Å²	89	145.5 Å²	145.5	62%	0.622	78%	0.784	S	S	*	*			trans	177.5	138.5	148.3	-89.4	0	0	0	0	111.4
292	Q	44.4	Very low	39.4	Very low	163 Å²	163	148.2 Å²	148.2	76%	0.762	78%	0.783	S	S	*	*				58.3	136.8	88.9	-52.1	179.1	107.5	0	0	113.8
293	Q	43.1	Very low	39.2	Very low	154 Å²	154	147.9 Å²	147.9	72%	0.72	79%	0.787	S	S	*	*			cis	-162.5	150.3	11.8	-142.6	-169.7	-96.3	0	0	114.4
294	T	36.6	Very low	39	Very low	93 Å²	93	146.5 Å²	146.5	57%	0.571	79%	0.786	S	S	*	*			trans	49.8	122.1	148.9	43.1	0	0	0	0	124.8
295	N	36.7	Very low	38.6	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	79%	0.787	S	S	*	*				59.6	116	127.5	-53.4	-8.2	0	0	0	122.7
296	K	39.7	Very low	38	Very low	204 Å²	204	152.3 Å²	152.3	89%	0.887	80%	0.795	S	S	*	*				-168.7	144.5	99	-129.8	-177.2	-176.5	-178.9	0	116.1
297	V	32.9	Very low	37.7	Very low	126 Å²	126	150 Å²	150	76%	0.764	79%	0.791	S	S	*	*			trans	-27.2	139.7	166.7	176.9	0	0	0	0	119
298	T	39.2	Very low	37.5	Very low	142 Å²	142	148.9 Å²	148.9	87%	0.871	78%	0.783	S	S	*	*			trans	-160.5	161.2	133.9	-78.4	0	0	0	0	110.8
299	K	38.2	Very low	37.5	Very low	186 Å²	186	151.4 Å²	151.4	81%	0.809	79%	0.787	S	S	*	*			trans	-92.7	144.8	-169.5	-55.8	172	-179.2	175	0	114
300	H	36.7	Very low	37.9	Very low	178 Å²	178	146 Å²	146	82%	0.824	77%	0.765	S	S	*	*			trans	169	124	134.9	-102.7	-86.3	0	0	0	105.3
301	N	33.5	Very low	38.7	Very low	130 Å²	130	144.6 Å²	144.6	70%	0.695	76%	0.759	S	S	*	*			cis	66.8	73.8	38.5	-159.4	93.7	0	0	0	114.3
302	E	35.6	Very low	39.5	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	75%	0.754	S	S	*	*				-166.3	146.8	117.3	-107	165.6	-142.7	0	0	111.6
303	T	32.6	Very low	40.3	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	72%	0.722	S	S	*	*			trans	-147.5	123.8	169.8	-55.1	0	0	0	0	108.1
304	P	36.8	Very low	40.8	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	70%	0.7	S	S	*	*			trans	-74	131.6	-170.9	28	-34.5	0	0	0	112.5	Q306	P304-Q306 PolarHBondContact O-N 3.48Å; P304-Q306 VanDerWaalsContact O-N 3.13Å
305	K	32.7	Very low	41.3	Very low	206 Å²	206	136.7 Å²	136.7	90%	0.896	71%	0.707	S	S	*	*			trans	-68.5	104.8	162.5	-80.2	-172.6	175.6	-177.4	0	109	A307	K305-A307 PolarHBondContact O-N 2.71Å
306	Q	30	Very low	41.9	Very low	191 Å²	191	132.4 Å²	132.4	89%	0.893	69%	0.687	S	S	*	*			trans	-72.4	89.7	172.8	-173.4	172.7	-2.3	0	0	110.2	P304 S308	P304-Q306 PolarHBondContact O-N 3.48Å; P304-Q306 VanDerWaalsContact O-N 3.13Å; Q306-S308 PolarHBondContact O-N 1.76Å
307	A	34.3	Very low	41.7	Very low	90 Å²	90	125.3 Å²	125.3	74%	0.744	67%	0.671	S	S	*	*			trans	-68.2	122.3	177.4	0	0	0	0	0	111.1	K305 K309	K305-A307 PolarHBondContact O-N 2.71Å; A307-K309 PolarHBondContact O-N 3.2Å
308	S	38.9	Very low	41.6	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	68%	0.682	S	S	*	*			trans	-70.2	86.1	176.5	33.7	0	0	0	0	111	Q306 A310	Q306-S308 PolarHBondContact O-N 1.76Å; S308-A310 VanDerWaalsContact C-N 3.32Å; S308-A310 PolarHBondContact O-N 2.8Å
309	K	42	Very low	41.6	Very low	203 Å²	203	127.1 Å²	127.1	88%	0.883	68%	0.675	S	S	*	*			trans	-66.5	86.7	177.4	-167.9	175.1	-174.1	175.3	0	111	A307 K311	A307-K309 PolarHBondContact O-N 3.2Å; K309-K311 PolarHBondContact O-N 2.99Å
310	A	52.3	Low	41.2	Very low	54 Å²	54	123.2 Å²	123.2	45%	0.446	67%	0.671	S	S	.	*			trans	-57.2	109.4	177.5	0	0	0	0	0	110.3	S308 E312	S308-A310 VanDerWaalsContact C-N 3.32Å; S308-A310 PolarHBondContact O-N 2.8Å; A310-E312 PolarHBondContact O-N 2.74Å
311	K	55.4	Low	41.3	Very low	152 Å²	152	121 Å²	121	66%	0.661	67%	0.669	S	S	*	*			trans	-73.1	112.1	-179.9	-169.2	169.6	-174.1	175.1	0	108.6	Y170 K309	Y170-K311 WeakPolarHBondContact CE1-O 3.46Å; Y170-K311 VanDerWaalsContact CZ-O 3.26Å; Y170-K311 PolarHBondContact OH-O 3.44Å; K309-K311 PolarHBondContact O-N 2.99Å
312	E	57.1	Low	41.3	Very low	109 Å²	109	121 Å²	121	51%	0.509	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-60.8	154.9	-168.3	-56.9	-170.8	147.9	0	0	113.2	K75 A310	K75-E312 WeakPolarHBondContact CE-OE1 3.31Å; K75-E312 IonicContact NZ-OE1 3.43Å; K75-E312 PolarHBondContact NZ-OE1 3.05Å; A310-E312 PolarHBondContact O-N 2.74Å
313	L	61.9	Low	41.2	Very low	17 Å²	17	119.7 Å²	119.7	9%	0.089	67%	0.668	C	S	.	*	P	Polyproline II helix	trans	-60.9	146.1	172	-86.9	65.7	0	0	0	109.6	H83 Y87 Y166 Y170 K315	H83-L313 PolarHBondContact CD2-O 3.28Å; H83-L313 VanDerWaalsContact CD2-O 3.28Å; Y87-L313 HydrophobicContact CD2-CD2 3.76Å; Y87-L313 HydrophobicContact CE2-CB 4.31Å; Y87-L313 HydrophobicContact CE2-CD2 3.72Å; Y87-L313 HydrophobicContact CG-CD2 4.44Å; Y166-L313 WeakPolarHBondContact OH-CD1 3.48Å; Y166-L313 WeakPolarHBondContact OH-CG 3.41Å; Y170-L313 HydrophobicContact CD2-CD1 4.03Å; Y170-L313 HydrophobicContact CE1-CD1 4.47Å; Y170-L313 HydrophobicContact CE2-CD1 3.63Å; L313-K315 PolarHBondContact O-N 3.05Å
314	P	54.5	Low	41.4	Very low	41 Å²	41	123.1 Å²	123.1	27%	0.266	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-68.7	131.4	174.9	28.5	-33.4	0	0	0	109.7	Y87 I164 Y166 T316	Y87-P314 PolarHBondContact OH-O 3.21Å; I164-P314 HydrophobicContact CD1-CB 4.19Å; I164-P314 HydrophobicContact CD1-CG 3.74Å; Y166-P314 HydrophobicContact CD2-CG 4.18Å; Y166-P314 VanDerWaalsContact CE2-CD 3.47Å; Y166-P314 HydrophobicContact CE2-CG 4.3Å; Y166-P314 HydrophobicContact CG-CG 4.4Å; P314-T316 VanDerWaalsContact C-N 3.3Å; P314-T316 PolarHBondContact O-N 2.88Å
315	K	45.7	Very low	41.1	Very low	166 Å²	166	124.4 Å²	124.4	72%	0.722	67%	0.671	S	S	*	*			trans	-69.5	81.1	179	-68	-173.3	175.2	-175	0	111.5	L313 G317	L313-K315 PolarHBondContact O-N 3.05Å; K315-G317 PolarHBondContact O-N 3.43Å
316	T	49.4	Very low	41.2	Very low	59 Å²	59	120 Å²	120	36%	0.362	67%	0.666	S	S	.	*			trans	-75.9	68.3	170	62.3	0	0	0	0	109.7	Y87 F112 P314	Y87-T316 PolarHBondContact OH-OG1 3.45Å; F112-T316 HydrophobicContact CE2-CG2 4.48Å; P314-T316 VanDerWaalsContact C-N 3.3Å; P314-T316 PolarHBondContact O-N 2.88Å
317	G	35.5	Very low	41.2	Very low	55 Å²	55	116.9 Å²	116.9	57%	0.567	66%	0.66	S	S	*	*			trans	-65.3	150.3	175.7	0	0	0	0	0	111.8	K315 T319	K315-G317 PolarHBondContact O-N 3.43Å; G317-T319 PolarHBondContact O-N 2.9Å
318	L	31.3	Very low	41.4	Very low	187 Å²	187	118.2 Å²	118.2	98%	0.979	66%	0.659	S	S	*	*			trans	-66.9	89.1	176.4	-71.8	161.2	0	0	0	110.6
319	T	38.3	Very low	41.1	Very low	118 Å²	118	118.1 Å²	118.1	72%	0.724	66%	0.664	S	S	*	*			trans	-76.8	119.4	166.8	51.4	0	0	0	0	109.2	G317 V321	G317-T319 PolarHBondContact O-N 2.9Å; T319-V321 PolarHBondContact O-N 3.48Å
320	S	31.1	Very low	40.9	Very low	105 Å²	105	116.9 Å²	116.9	73%	0.734	66%	0.659	S	S	*	*			trans	-57.5	123.2	173.3	-165.6	0	0	0	0	109.9
321	V	38.9	Very low	40.2	Very low	130 Å²	130	119.1 Å²	119.1	79%	0.788	68%	0.677	S	S	*	*			trans	-106.3	83.5	174.5	-78.3	0	0	0	0	109.4	T319	T319-V321 PolarHBondContact O-N 3.48Å
322	D	32.1	Very low	39.2	Very low	132 Å²	132	118.4 Å²	118.4	71%	0.706	69%	0.686	S	S	*	*			trans	-61.4	150.2	159.4	-73.7	-66.6	0	0	0	110.1
323	N	35.2	Very low	38.3	Very low	149 Å²	149	121.4 Å²	121.4	80%	0.797	70%	0.704	S	S	*	*			trans	60.4	75.4	176.4	-62.9	-35.2	0	0	0	117
324	F	35.7	Very low	37.1	Very low	206 Å²	206	124.8 Å²	124.8	90%	0.904	74%	0.735	S	S	*	*				-141.4	125.1	123.7	-136.8	-89.9	0	0	0	112
325	I	31.5	Very low	36.2	Very low	148 Å²	148	130 Å²	130	76%	0.759	76%	0.76	S	S	*	*			trans	-83.3	118.7	-177.6	-63.3	176.7	0	0	0	109.3
326	S	33.5	Very low	35.8	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	77%	0.768	S	S	*	*			trans	-142.7	111.3	161.4	-167.7	0	0	0	0	110	V328	S326-V328 PolarHBondContact O-N 3.24Å
327	T	31.1	Very low	35	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	78%	0.784	S	S	*	*			trans	-72.4	107.5	-167.7	-56	0	0	0	0	112.7
328	V	38.4	Very low	34.9	Very low	118 Å²	118	134 Å²	134	72%	0.715	80%	0.799	S	S	*	*			trans	-136	103.3	153.7	-174.7	0	0	0	0	108.9	S326 F330	S326-V328 PolarHBondContact O-N 3.24Å; V328-F330 HydrophobicContact CG1-CD2 3.9Å; V328-F330 HydrophobicContact CG1-CE2 3.72Å; V328-F330 PolarHBondContact O-N 3.5Å
329	A	32.3	Very low	35.3	Very low	92 Å²	92	132.6 Å²	132.6	76%	0.76	79%	0.792	S	S	*	*			trans	-78	121.8	-180	0	0	0	0	0	111.5
330	F	37.7	Very low	35.4	Very low	177 Å²	177	132 Å²	132	78%	0.776	79%	0.792	S	S	*	*			trans	-131.1	104.2	159.5	-82.4	-78.4	0	0	0	108.3	V328 T332	V328-F330 HydrophobicContact CG1-CD2 3.9Å; V328-F330 HydrophobicContact CG1-CE2 3.72Å; V328-F330 PolarHBondContact O-N 3.5Å; F330-T332 PolarHBondContact O-N 3.23Å
331	A	38.2	Very low	36.2	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	79%	0.793	S	S	*	*			trans	-70.1	129.4	-175.3	0	0	0	0	0	111.5	L333	A331-L333 PolarHBondContact O-N 3.49Å
332	T	33.3	Very low	36.8	Very low	137 Å²	137	134.5 Å²	134.5	84%	0.84	79%	0.792	S	S	*	*			trans	-77.6	115	167.2	48.6	0	0	0	0	110	F330	F330-T332 PolarHBondContact O-N 3.23Å
333	L	38.1	Very low	37.5	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	79%	0.791	S	S	*	*			trans	-136.8	91.9	159.8	-102.5	173.1	0	0	0	109.9	A331	A331-L333 PolarHBondContact O-N 3.49Å
334	A	36.6	Very low	38.4	Very low	89 Å²	89	135.6 Å²	135.6	74%	0.736	79%	0.789	S	S	*	*			trans	-109.4	125.4	158.1	0	0	0	0	0	107.2
335	L	37.3	Very low	38.9	Very low	151 Å²	151	134.9 Å²	134.9	79%	0.791	79%	0.785	S	S	*	*			trans	-164.7	136.9	154.8	-135.5	76.8	0	0	0	110.5
336	L	36.2	Very low	39.6	Very low	169 Å²	169	138.4 Å²	138.4	89%	0.885	79%	0.789	S	S	*	*			trans	64.2	154.1	164.8	-50.1	177.4	0	0	0	116.2
337	G	33.3	Very low	40.1	Very low	69 Å²	69	142 Å²	142	71%	0.711	79%	0.79	S	S	*	*			cis	163.8	136	-5.6	0	0	0	0	0	109.7	L339	G337-L339 PolarHBondContact O-N 2.58Å
338	S	33.2	Very low	40.6	Very low	125 Å²	125	144.5 Å²	144.5	87%	0.874	79%	0.793	S	S	*	*			trans	-68.8	126.4	-174.4	53.7	0	0	0	0	112.9
339	L	39.8	Very low	41	Very low	158 Å²	158	144.5 Å²	144.5	83%	0.827	80%	0.798	S	S	*	*			trans	-147.2	100.7	146.5	-165.9	56.4	0	0	0	111.3	G337	G337-L339 PolarHBondContact O-N 2.58Å
340	S	40.3	Very low	41.7	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	82%	0.82	S	S	*	*			trans	-64.6	151.8	155.8	-55.9	0	0	0	0	109.3
341	L	47.4	Very low	41.9	Very low	143 Å²	143	152.1 Å²	152.1	75%	0.749	82%	0.822	S	S	*	*			trans	164.6	139.3	138.6	-84.9	154.6	0	0	0	108.6
342	L	51.1	Low	42.1	Very low	145 Å²	145	154.7 Å²	154.7	76%	0.759	82%	0.821	S	S	*	*			trans	41.3	145.9	150	-81.1	82.7	0	0	0	121.2
343	L	47.8	Very low	42.6	Very low	131 Å²	131	155.7 Å²	155.7	69%	0.686	82%	0.82	S	S	*	*			cis	-175.2	-172.5	-19.4	-128.8	-179.5	0	0	0	105.7
344	F	53.2	Low	42.9	Very low	173 Å²	173	154.8 Å²	154.8	76%	0.759	82%	0.815	S	S	*	*			trans	65.1	108.2	162.9	-78.6	-73.7	0	0	0	119.5
345	K	46.1	Very low	43.3	Very low	190 Å²	190	158.9 Å²	158.9	83%	0.826	82%	0.82	S	S	*	*				-3.7	146	123.2	-68.9	176.7	171.1	178.1	0	114.3
346	R	47.3	Very low	43.7	Very low	223 Å²	223	159.5 Å²	159.5	84%	0.842	82%	0.822	S	S	*	*				-176.6	149.8	62.4	-163.7	-174.3	-174.9	171.4	1.1	113.3
347	K	43.2	Very low	44.2	Very low	188 Å²	188	158.8 Å²	158.8	82%	0.817	82%	0.818	S	S	*	*			trans	75.8	135.4	151.4	-116	-166.9	172.6	-158.2	0	119.5
348	E	42.3	Very low	45	Very low	178 Å²	178	165.7 Å²	165.7	83%	0.832	83%	0.826	S	S	*	*			trans	-67.7	159.8	157.3	-53.1	156.7	146.3	0	0	111
349	S	46.6	Very low	46	Very low	118 Å²	118	169.1 Å²	169.1	83%	0.825	82%	0.822	S	S	*	*				-179.3	101.2	129.7	175	0	0	0	0	111.8
350	K	47.3	Very low	46.6	Very low	277 Å²	277	170.1 Å²	170.1	100%	1.204	82%	0.821	S	S	*	*			trans	-158.7	0	135.8	-128.2	-174.2	-180	-171.8	0	111.4

Retrieved 350 of 350 residues in 42.5 ms (Link to these results)

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