AKTIP_HUMAN Loading...

AKT-interacting protein

Component of the FTS/Hook/FHIP complex (FHF complex)¹. The FHF complex may function to promote vesicle trafficking and/or fusion via the homotypic vesicular protein sorting complex (the HOPS complex). Regulates apoptosis by enhancing phosphorylation and activation of AKT1. Increases release of TNFSF6 via the AKT1/GSK3B/NFATC1 signaling cascade. FHF complex promotes the distribution of AP-4 complex to the perinuclear area of the cell².

AlphaFold DB , UniProt , Accession Q9H8T0, Species HUMAN (Homo sapiens, Human), Gene AKTIP, Length 292 aa.

Structure Viewer

Loading PAE data...

(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	39.9	Very low	37.5	Very low	197 Å²	197	134.6 Å²	134.6	97%	0.97	75%	0.751	S	S	*	*				0	89.9	0	-72.4	173.1	172.9	0	0	107.6
2	N	34.1	Very low	37	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	76%	0.759	S	S	*	*			trans	-61.4	131.5	170.7	-79.2	-8.6	0	0	0	108.8
3	P	46.6	Very low	36.9	Very low	89 Å²	89	143 Å²	143	58%	0.578	77%	0.77	S	S	*	*			trans	-95.6	100.2	160.1	31.1	-19.1	0	0	0	107.7
4	F	38	Very low	36.8	Very low	195 Å²	195	147.7 Å²	147.7	86%	0.855	78%	0.78	S	S	*	*			trans	-83	115.7	164.8	-156.8	-92.8	0	0	0	106.7
5	W	39.5	Very low	36.4	Very low	158 Å²	158	154.2 Å²	154.2	60%	0.598	79%	0.79	S	S	*	*			trans	-113.3	127	169.3	-75.7	101.3	0	0	0	108.3	A249 M253	W5-A249 HydrophobicContact CZ3-CB 4.12Å; W5-M253 HydrophobicContact CH2-CE 4.32Å; W5-M253 HydrophobicContact CH2-CG 4.27Å; W5-M253 HydrophobicContact CH2-SD 3.41Å; W5-M253 WeakPolarHBondContact CH2-SD 3.31Å; W5-M253 HydrophobicContact CZ2-CE 4.01Å; W5-M253 HydrophobicContact CZ2-CG 4.45Å; W5-M253 HydrophobicContact CZ2-SD 3.69Å
6	S	33.4	Very low	36.6	Very low	95 Å²	95	152.1 Å²	152.1	66%	0.664	79%	0.793	S	S	*	*			trans	-91.6	118.5	169.9	-179.9	0	0	0	0	108.1
7	M	35.7	Very low	36.4	Very low	130 Å²	130	155.1 Å²	155.1	64%	0.64	80%	0.802	S	S	*	*			trans	-97.2	115.7	164.3	-85.1	-172.3	163.3	0	0	108.5	T9	M7-T9 PolarHBondContact O-N 2.82Å
8	S	35.9	Very low	36.7	Very low	116 Å²	116	150 Å²	150	81%	0.811	79%	0.794	S	S	*	*			trans	-74.4	118.8	172.4	-56.2	0	0	0	0	109.3
9	T	37.6	Very low	36.8	Very low	115 Å²	115	151.5 Å²	151.5	71%	0.706	80%	0.796	S	S	*	*			trans	-90.4	115.1	163.6	50.4	0	0	0	0	108	M7 S11	M7-T9 PolarHBondContact O-N 2.82Å; T9-S11 PolarHBondContact O-N 2.97Å
10	S	32.1	Very low	36.8	Very low	122 Å²	122	151 Å²	151	85%	0.853	79%	0.789	S	S	*	*			trans	-75.5	103.4	169.7	40.1	0	0	0	0	108.6
11	S	39.5	Very low	36.9	Very low	107 Å²	107	151.1 Å²	151.1	75%	0.748	78%	0.783	S	S	*	*			trans	-119.7	108.5	162.4	-165	0	0	0	0	109.3	T9 R13	T9-S11 PolarHBondContact O-N 2.97Å; S11-R13 PolarHBondContact O-N 3.25Å
12	V	32.1	Very low	36.6	Very low	140 Å²	140	147 Å²	147	85%	0.848	77%	0.769	S	S	*	*			trans	-70.9	113.8	176.1	173	0	0	0	0	108.9
13	R	35.6	Very low	36.7	Very low	238 Å²	238	147 Å²	147	90%	0.898	77%	0.769	S	S	*	*			trans	-142.4	127.6	154	-77.1	-164.2	-178.4	175.5	0.5	112.5	S11	S11-R13 PolarHBondContact O-N 3.25Å
14	K	34.8	Very low	36.3	Very low	209 Å²	209	149.1 Å²	149.1	91%	0.909	78%	0.78	S	S	*	*			trans	-44.5	135.2	176.4	-98.9	170.7	162.6	176.3	0	114.1
15	R	30.8	Very low	36.1	Very low	245 Å²	245	143.3 Å²	143.3	93%	0.925	78%	0.776	S	S	*	*			trans	-82.8	146.9	158.8	-97.8	-178.8	178.7	166.7	-0.3	110.5
16	S	40.7	Very low	36.1	Very low	120 Å²	120	143.9 Å²	143.9	84%	0.839	79%	0.79	S	S	*	*			trans	-124.1	137.1	154.8	49.6	0	0	0	0	108.5
17	E	33.3	Very low	36.2	Very low	203 Å²	203	145.4 Å²	145.4	95%	0.949	80%	0.795	S	S	*	*			trans	-88.1	170.4	-171.7	-66.2	172.5	123	0	0	113.9
18	G	41.7	Very low	36.4	Very low	64 Å²	64	148.6 Å²	148.6	66%	0.66	81%	0.806	S	S	*	*			trans	146.5	81.2	166.1	0	0	0	0	0	112
19	E	38.3	Very low	36.5	Very low	179 Å²	179	148.9 Å²	148.9	84%	0.836	80%	0.802	S	S	*	*				79.9	106.4	101.5	-81.2	-178.2	117.5	0	0	114.3
20	E	36.5	Very low	36.3	Very low	140 Å²	140	148.5 Å²	148.5	65%	0.654	80%	0.804	S	S	*	*				72.8	128.8	101.5	-100.4	-157	123	0	0	113
21	K	39	Very low	36.8	Very low	154 Å²	154	148.2 Å²	148.2	67%	0.67	80%	0.8	S	S	*	*			cis	-175.6	145.3	43.9	-115.6	178.5	177.6	88.4	0	110.9
22	T	33.8	Very low	36.5	Very low	110 Å²	110	149 Å²	149	68%	0.675	80%	0.803	S	S	*	*			trans	65.1	108.8	135.9	-31.4	0	0	0	0	121.2
23	L	35.5	Very low	36.6	Very low	158 Å²	158	154 Å²	154	83%	0.827	81%	0.806	S	S	*	*				49.8	130	98.2	-63.4	162.3	0	0	0	114.1
24	T	38.5	Very low	36.9	Very low	134 Å²	134	148.9 Å²	148.9	82%	0.822	80%	0.801	S	S	*	*			cis	-164	139.2	42.4	41.8	0	0	0	0	108.1
25	G	34.4	Very low	37.1	Very low	73 Å²	73	143.8 Å²	143.8	75%	0.753	80%	0.798	S	S	*	*				100.6	113.1	91.6	0	0	0	0	0	112.3
26	D	39.1	Very low	37.9	Very low	170 Å²	170	137.7 Å²	137.7	91%	0.909	79%	0.79	S	S	*	*			trans	-171.6	148.9	133.9	-121.9	-35.6	0	0	0	114.2
27	V	34.4	Very low	37.9	Very low	126 Å²	126	141.8 Å²	141.8	76%	0.764	79%	0.793	S	S	*	*			trans	-91.6	135.7	-168.8	171	0	0	0	0	111.4
28	K	41.2	Very low	38.4	Very low	198 Å²	198	142.7 Å²	142.7	86%	0.861	79%	0.794	S	S	*	*			trans	-163.2	101.7	155.8	-112.9	163.3	-176.4	174.7	0	114.3
29	T	37.3	Very low	38.8	Very low	121 Å²	121	148.5 Å²	148.5	74%	0.742	80%	0.804	S	S	*	*			trans	9.8	118.6	136.1	36.3	0	0	0	0	118.5
30	S	34.7	Very low	39.1	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	80%	0.804	S	S	*	*				145	171.9	90.7	-80.5	0	0	0	0	109
31	P	41.4	Very low	39.6	Very low	116 Å²	116	146.7 Å²	146.7	75%	0.753	81%	0.81	S	S	*	*			cis	-136.1	-161.1	-38.7	44	-23.6	0	0	0	111.3
32	P	32.7	Very low	40.3	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	82%	0.816	S	S	*	*			trans	-77.4	146	-152.3	34.5	-35.6	0	0	0	114.3
33	R	34.9	Very low	41.1	Very low	245 Å²	245	146.3 Å²	146.3	93%	0.925	82%	0.818	S	S	*	*			trans	-115.2	114.1	175.4	-146	173.3	-170.6	-170.3	2.5	112.3
34	T	41.6	Very low	41.9	Very low	129 Å²	129	144 Å²	144	79%	0.791	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-51.2	136.7	166.4	40.8	0	0	0	0	111.9
35	A	40.3	Very low	42.4	Very low	102 Å²	102	147.5 Å²	147.5	84%	0.843	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.5	129.6	178.7	0	0	0	0	0	111.5
36	P	47.2	Very low	43	Very low	118 Å²	118	149.9 Å²	149.9	77%	0.766	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-94.2	139.7	162.3	33	-24.4	0	0	0	110.4	K38	P36-K38 PolarHBondContact O-N 3.13Å
37	K	41.1	Very low	43.2	Very low	205 Å²	205	146.3 Å²	146.3	89%	0.891	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-49.2	130.4	176.1	-67.8	171.2	176	175.4	0	110.8	Q39	K37-Q39 PolarHBondContact O-N 2.98Å
38	K	43.3	Very low	43.7	Very low	222 Å²	222	148.6 Å²	148.6	97%	0.965	81%	0.814	S	S	*	*			trans	-61.8	106.8	172	-75.9	-178.8	176.6	-179.3	0	109.6	P36	P36-K38 PolarHBondContact O-N 3.13Å
39	Q	48.8	Very low	43.8	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.874	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-98.5	131.5	170.7	-160.3	171.1	-8.5	0	0	108	K37	K37-Q39 PolarHBondContact O-N 2.98Å
40	L	45.4	Very low	44.5	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-63.5	147.7	178	-78.2	156.6	0	0	0	110.6
41	P	46.8	Very low	44.8	Very low	118 Å²	118	148 Å²	148	77%	0.766	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.4	144.1	178.7	-15.8	28.1	0	0	0	111.9
42	S	55.1	Low	45.3	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.8	174.7	36.8	0	0	0	0	111.8
43	I	48.6	Very low	45.7	Very low	141 Å²	141	152 Å²	152	72%	0.723	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.1	129.2	177.4	-57.7	166.7	0	0	0	109.4	K45	I43-K45 PolarHBondContact O-N 3.29Å
44	P	53.3	Low	46.1	Very low	110 Å²	110	146.4 Å²	146.4	71%	0.714	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.5	128.1	174.3	-16.4	29.4	0	0	0	110.9	N46	P44-N46 PolarHBondContact O-N 3.4Å
45	K	50.1	Low	46.7	Very low	207 Å²	207	145.4 Å²	145.4	90%	0.9	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71.6	123.2	174.3	-66.5	178.5	-179.4	176	0	109.1	I43	I43-K45 PolarHBondContact O-N 3.29Å
46	N	46.4	Very low	46.9	Very low	123 Å²	123	147 Å²	147	66%	0.658	82%	0.815	S	S	*	*			trans	-39.7	135	179.2	-88.1	-2.2	0	0	0	114.5	P44 T66	P44-N46 PolarHBondContact O-N 3.4Å; N46-T66 WeakPolarHBondContact ND2-CG2 3.29Å
47	A	42.5	Very low	47.1	Very low	96 Å²	96	145.6 Å²	145.6	79%	0.793	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71.1	130.9	163.6	0	0	0	0	0	110.4
48	L	45.2	Very low	47.2	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.8	137.1	176.6	-67.2	151.3	0	0	0	111.1
49	P	43.5	Very low	46.8	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96.2	139.1	153.6	6.4	13.1	0	0	0	110.7
50	I	50.9	Low	46.7	Very low	169 Å²	169	131.6 Å²	131.6	87%	0.867	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-59.3	141.5	-176.1	-73	162	0	0	0	112.8
51	T	42.9	Very low	46.7	Very low	126 Å²	126	132.5 Å²	132.5	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.9	179.9	41.1	0	0	0	0	114.3
52	K	50	Low	46.4	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.896	80%	0.802	S	S	*	*			trans	-149.5	142.5	135.9	-75.8	-163.2	-179.7	173.4	0	110.2
53	P	41.4	Very low	46	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	80%	0.797	S	S	*	*			trans	-98.9	162.3	-164.9	37.7	-32.2	0	0	0	113.5
54	T	43.5	Very low	45.8	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	79%	0.793	S	S	*	*				143.9	106.1	128	-51.1	0	0	0	0	112.4
55	S	53.5	Low	45.8	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	79%	0.793	S	S	*	*			trans	170.8	134.4	139.3	-79.5	0	0	0	0	110.4
56	P	45	Very low	46	Very low	136 Å²	136	122.9 Å²	122.9	88%	0.883	77%	0.769	S	S	*	*			trans	-87	118.4	175.1	32.8	-26.5	0	0	0	110
57	A	52.2	Low	46.4	Very low	87 Å²	87	122.5 Å²	122.5	72%	0.719	76%	0.763	S	S	*	*			trans	-124.9	147.8	167.1	0	0	0	0	0	108.7
58	P	42.4	Very low	47.3	Very low	126 Å²	126	121.6 Å²	121.6	82%	0.818	76%	0.756	S	S	*	*			trans	-68.5	147	-166.2	28.8	-33	0	0	0	111.6	A60	P58-A60 PolarHBondContact O-N 2.88Å
59	A	35.7	Very low	48.6	Very low	104 Å²	104	116.8 Å²	116.8	86%	0.86	74%	0.737	S	S	*	*			trans	-45.9	99	-168.1	0	0	0	0	0	114.8
60	A	46.7	Very low	50.3	Low	91 Å²	91	116 Å²	116	75%	0.752	72%	0.719	S	S	*	*			trans	-77.7	118.7	153.6	0	0	0	0	0	107.5	P58 S62	P58-A60 PolarHBondContact O-N 2.88Å; A60-S62 PolarHBondContact O-N 2.85Å
61	Q	45.6	Very low	51.7	Low	181 Å²	181	109.6 Å²	109.6	85%	0.846	70%	0.695	S	S	*	*			trans	-54.1	110.4	175.4	-74.2	171.4	-9.9	0	0	109.6	T63	Q61-T63 VanDerWaalsContact C-N 3.35Å; Q61-T63 PolarHBondContact O-N 3.33Å
62	S	40.3	Very low	53.6	Low	120 Å²	120	107.8 Å²	107.8	84%	0.839	69%	0.685	S	S	*	*			trans	-70.5	86.5	174.6	51.9	0	0	0	0	109.7	A60	A60-S62 PolarHBondContact O-N 2.85Å
63	T	47	Very low	55.1	Low	115 Å²	115	103.7 Å²	103.7	71%	0.706	67%	0.667	S	S	*	*			trans	-93.6	99.6	171.1	58.6	0	0	0	0	109.9	Q61	Q61-T63 VanDerWaalsContact C-N 3.35Å; Q61-T63 PolarHBondContact O-N 3.33Å
64	N	43.4	Very low	57.2	Low	119 Å²	119	103.6 Å²	103.6	64%	0.636	65%	0.653	S	S	*	*			trans	47.7	77.5	151.6	-60.3	-16	0	0	0	118.1	T66 H67	N64-T66 PolarHBondContact O-N 3.4Å; N64-H67 HydrophobicContact CB-CB 4.4Å; N64-H67 PolarHBondContact O-N 3.25Å
65	G	54.5	Low	59.4	Low	70 Å²	70	99 Å²	99	72%	0.722	62%	0.623	S	S	*	*	H	α-helix	trans	-59.5	-11.7	172.8	0	0	0	0	0	115.9
66	T	53.9	Low	61	Low	64 Å²	64	98.5 Å²	98.5	39%	0.393	61%	0.609	S	S	.	*	H	α-helix	trans	-81.3	-27	172.3	44.8	0	0	0	0	113.6	N46 N64 S69 Y70	N46-T66 WeakPolarHBondContact ND2-CG2 3.29Å; N64-T66 PolarHBondContact O-N 3.4Å; T66-S69 PolarHBondContact O-OG 3.41Å; T66-Y70 WeakPolarHBondContact O-CD2 3.34Å; T66-Y70 WeakPolarHBondContact O-CE2 3.33Å
67	H	54.1	Low	63.2	Low	115 Å²	115	99.9 Å²	99.9	53%	0.532	60%	0.597	S	S	.	*	H	α-helix	trans	-81	-30.8	-178	-163.1	-85.3	0	0	0	111.8	N64 S69 Y70 Y74	N64-H67 HydrophobicContact CB-CB 4.4Å; N64-H67 PolarHBondContact O-N 3.25Å; H67-S69 VanDerWaalsContact C-N 3.32Å; H67-S69 PolarHBondContact O-N 2.93Å; H67-Y70 PolarHBondContact O-N 3.46Å; H67-Y74 AromaticContact CE1-CE2 3.85Å; H67-Y74 AromaticContact NE2-CE2 3.75Å
68	A	61.4	Low	65.1	Low	77 Å²	77	97.9 Å²	97.9	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-62.9	-36.6	179.3	0	0	0	0	0	112.6	Y70 G71	A68-Y70 VanDerWaalsContact C-N 3.26Å; A68-Y70 PolarHBondContact O-N 2.98Å; A68-G71 PolarHBondContact O-N 3.48Å
69	S	71.9	Confident	67.5	Low	73 Å²	73	92.1 Å²	92.1	51%	0.51	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.7	179.4	53.3	0	0	0	0	113.8	T66 H67 G71	T66-S69 PolarHBondContact O-OG 3.41Å; H67-S69 VanDerWaalsContact C-N 3.32Å; H67-S69 PolarHBondContact O-N 2.93Å; S69-G71 VanDerWaalsContact C-N 3.34Å
70	Y	79.6	Confident	70.2	Confident	104 Å²	104	91.4 Å²	91.4	41%	0.408	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.3	177.3	-67.2	-73	0	0	0	113.6	T66 H67 A68 F73 Y74	T66-Y70 WeakPolarHBondContact O-CD2 3.34Å; T66-Y70 WeakPolarHBondContact O-CE2 3.33Å; H67-Y70 PolarHBondContact O-N 3.46Å; A68-Y70 VanDerWaalsContact C-N 3.26Å; A68-Y70 PolarHBondContact O-N 2.98Å; Y70-F73 HydrophobicContact CD1-CD2 4.24Å; Y70-F73 PolarHBondContact O-N 2.93Å; Y70-Y74 HydrophobicContact CG-CE2 4.4Å; Y70-Y74 VanDerWaalsContact O-CD2 3.23Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y70-Y74 PolarHBondContact O-N 3.24Å
71	G	81.2	Confident	72.5	Confident	34 Å²	34	89.6 Å²	89.6	35%	0.351	51%	0.507	S	S	.	.	H	α-helix	trans	-47.4	-52.2	-178.7	0	0	0	0	0	113.9	A68 S69 F73 Y74 L75	A68-G71 PolarHBondContact O-N 3.48Å; S69-G71 VanDerWaalsContact C-N 3.34Å; G71-F73 VanDerWaalsContact C-N 3.33Å; G71-F73 PolarHBondContact O-N 3.31Å; G71-Y74 PolarHBondContact O-N 3.22Å; G71-L75 PolarHBondContact O-N 3.43Å
72	P	82	Confident	74.9	Confident	88 Å²	88	81.6 Å²	81.6	57%	0.571	47%	0.469	S	S	*	.	H	α-helix	trans	-59.6	-38.7	178.9	-26.4	35.8	0	0	0	113.8	L75 E76	P72-L75 WeakPolarHBondContact O-CB 3.37Å; P72-L75 PolarHBondContact O-N 3.01Å; P72-E76 PolarHBondContact O-N 3.32Å
73	F	82	Confident	77.6	Confident	119 Å²	119	78.7 Å²	78.7	52%	0.522	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-43.4	178.1	-62	-77.6	0	0	0	111.3	Y70 G71 L75 E76 Y77	Y70-F73 HydrophobicContact CD1-CD2 4.24Å; Y70-F73 PolarHBondContact O-N 2.93Å; G71-F73 VanDerWaalsContact C-N 3.33Å; G71-F73 PolarHBondContact O-N 3.31Å; F73-L75 VanDerWaalsContact C-N 3.28Å; F73-L75 PolarHBondContact O-N 3.21Å; F73-E76 PolarHBondContact O-N 2.94Å; F73-Y77 WeakPolarHBondContact O-CD2 3.38Å; F73-Y77 PolarHBondContact O-N 3.39Å
74	Y	86.3	Confident	79.9	Confident	116 Å²	116	76.5 Å²	76.5	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-61.9	-38.3	175.9	-69.9	-54.6	0	0	0	112.2	H67 Y70 G71 S78	H67-Y74 AromaticContact CE1-CE2 3.85Å; H67-Y74 AromaticContact NE2-CE2 3.75Å; Y70-Y74 HydrophobicContact CG-CE2 4.4Å; Y70-Y74 VanDerWaalsContact O-CD2 3.23Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y70-Y74 PolarHBondContact O-N 3.24Å; G71-Y74 PolarHBondContact O-N 3.22Å; Y74-S78 WeakPolarHBondContact O-CB 3.41Å; Y74-S78 PolarHBondContact O-N 2.91Å; Y74-S78 PolarHBondContact O-OG 3.49Å
75	L	88.4	Confident	82.4	Confident	31 Å²	31	73.4 Å²	73.4	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-51.7	173.2	175.4	60	0	0	0	110.8	G71 P72 F73 Y77 S78 L79 L104 D130 Y132	G71-L75 PolarHBondContact O-N 3.43Å; P72-L75 WeakPolarHBondContact O-CB 3.37Å; P72-L75 PolarHBondContact O-N 3.01Å; F73-L75 VanDerWaalsContact C-N 3.28Å; F73-L75 PolarHBondContact O-N 3.21Å; L75-Y77 PolarHBondContact O-N 3.37Å; L75-S78 WeakPolarHBondContact O-CA 3.47Å; L75-S78 WeakPolarHBondContact O-CB 3.38Å; L75-S78 PolarHBondContact O-N 3.02Å; L75-L79 HydrophobicContact CD1-CD1 4.03Å; L75-L79 HydrophobicContact CD1-CG 4.19Å; L75-L79 HydrophobicContact CG-CD1 4.08Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.12Å; L75-L104 HydrophobicContact CD1-CD2 4.37Å; L75-L104 HydrophobicContact CD2-CD2 4.13Å; L75-L104 HydrophobicContact CG-CD2 4.46Å; L75-D130 VanDerWaalsContact CD2-O 3.26Å; L75-D130 WeakPolarHBondContact CD2-O 3.41Å; L75-Y132 HydrophobicContact CD1-CD1 4.38Å; L75-Y132 VanDerWaalsContact CD1-O 3.3Å; L75-Y132 WeakPolarHBondContact CD1-O 3.46Å
76	E	87.7	Confident	84.4	Confident	99 Å²	99	70.5 Å²	70.5	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-45.2	178.9	-170.3	175.8	-179.5	0	0	112.3	P72 F73 S78 L79 L80 A103	P72-E76 PolarHBondContact O-N 3.32Å; F73-E76 PolarHBondContact O-N 2.94Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.45Å; E76-L79 PolarHBondContact O-N 3.37Å; E76-L80 HydrophobicContact CG-CD1 4.49Å; E76-L80 WeakPolarHBondContact O-CG 3.26Å; E76-L80 PolarHBondContact O-N 2.96Å; E76-A103 HydrophobicContact CG-CB 4.48Å
77	Y	90.2	Very high	86.4	Confident	164 Å²	164	71 Å²	71	64%	0.643	38%	0.383	S	S	*	.	H	α-helix	trans	-59.9	-39.9	173.7	-83.8	-66.6	0	0	0	112.5	F73 L75 L79 L80 A81	F73-Y77 WeakPolarHBondContact O-CD2 3.38Å; F73-Y77 PolarHBondContact O-N 3.39Å; L75-Y77 PolarHBondContact O-N 3.37Å; Y77-L79 VanDerWaalsContact C-N 3.33Å; Y77-L80 PolarHBondContact O-N 3.06Å; Y77-A81 WeakPolarHBondContact O-CB 3.3Å; Y77-A81 PolarHBondContact O-N 3.31Å
78	S	92	Very high	88.4	Confident	45 Å²	45	72.4 Å²	72.4	32%	0.315	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-40.8	176.6	-59.7	0	0	0	0	111.3	Y74 L75 E76 A81 E82	Y74-S78 WeakPolarHBondContact O-CB 3.41Å; Y74-S78 PolarHBondContact O-N 2.91Å; Y74-S78 PolarHBondContact O-OG 3.49Å; L75-S78 WeakPolarHBondContact O-CA 3.47Å; L75-S78 WeakPolarHBondContact O-CB 3.38Å; L75-S78 PolarHBondContact O-N 3.02Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.45Å; S78-A81 WeakPolarHBondContact O-CB 3.45Å; S78-A81 PolarHBondContact O-N 2.59Å; S78-E82 WeakPolarHBondContact O-CG 3.35Å; S78-E82 PolarHBondContact O-N 3.36Å
79	L	94	Very high	90	Very high	5 Å²	5	72.7 Å²	72.7	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-70.9	-37	178.6	-62.4	173.1	0	0	0	112.4	L75 E76 Y77 A81 E82 F83 A103 L104 I128 Y132 I174	L75-L79 HydrophobicContact CD1-CD1 4.03Å; L75-L79 HydrophobicContact CD1-CG 4.19Å; L75-L79 HydrophobicContact CG-CD1 4.08Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.12Å; E76-L79 PolarHBondContact O-N 3.37Å; Y77-L79 VanDerWaalsContact C-N 3.33Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.42Å; L79-E82 WeakPolarHBondContact O-CB 3.48Å; L79-E82 PolarHBondContact O-N 3.24Å; L79-F83 PolarHBondContact O-N 3.03Å; L79-A103 HydrophobicContact CD1-CB 3.76Å; L79-L104 HydrophobicContact CD1-CD2 3.72Å; L79-L104 HydrophobicContact CD1-CG 4.46Å; L79-I128 HydrophobicContact CD2-CD1 4.02Å; L79-I128 HydrophobicContact CD2-CG2 3.85Å; L79-Y132 HydrophobicContact CD2-CD1 3.66Å; L79-Y132 HydrophobicContact CD2-CE1 3.99Å; L79-Y132 HydrophobicContact CD2-CG 4.23Å; L79-I174 HydrophobicContact CD2-CD1 4.33Å
80	L	92.9	Very high	91	Very high	90 Å²	90	75.7 Å²	75.7	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-38.2	171.8	-71.3	173	0	0	0	111.9	E76 Y77 F83 T84	E76-L80 HydrophobicContact CG-CD1 4.49Å; E76-L80 WeakPolarHBondContact O-CG 3.26Å; E76-L80 PolarHBondContact O-N 2.96Å; Y77-L80 PolarHBondContact O-N 3.06Å; L80-F83 PolarHBondContact O-N 3.2Å; L80-T84 PolarHBondContact O-N 3.27Å; L80-T84 PolarHBondContact O-OG1 3.21Å
81	A	94.4	Very high	91.7	Very high	52 Å²	52	71.7 Å²	71.7	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-43	173.5	0	0	0	0	0	111.5	Y77 S78 L79 F83 T84 L85	Y77-A81 WeakPolarHBondContact O-CB 3.3Å; Y77-A81 PolarHBondContact O-N 3.31Å; S78-A81 WeakPolarHBondContact O-CB 3.45Å; S78-A81 PolarHBondContact O-N 2.59Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.42Å; A81-F83 PolarHBondContact O-N 2.93Å; A81-T84 WeakPolarHBondContact O-CB 3.25Å; A81-T84 PolarHBondContact O-N 3.48Å; A81-L85 WeakPolarHBondContact O-CG 3.46Å; A81-L85 PolarHBondContact O-N 3.35Å
82	E	96.1	Very high	92.3	Very high	14 Å²	14	73.8 Å²	73.8	7%	0.065	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-45.2	172.7	-75	-64.3	135.7	0	0	112.1	S78 L79 T84 L85 V86 W106 Y132 H173 I174	S78-E82 WeakPolarHBondContact O-CG 3.35Å; S78-E82 PolarHBondContact O-N 3.36Å; L79-E82 WeakPolarHBondContact O-CB 3.48Å; L79-E82 PolarHBondContact O-N 3.24Å; E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.4Å; E82-L85 WeakPolarHBondContact O-CA 3.48Å; E82-L85 WeakPolarHBondContact O-CB 3.14Å; E82-L85 PolarHBondContact O-N 2.97Å; E82-L85 VanDerWaalsContact O-N 3.08Å; E82-V86 WeakPolarHBondContact O-CG2 3.32Å; E82-V86 PolarHBondContact O-N 2.99Å; E82-W106 HydrophobicContact CB-CH2 3.88Å; E82-W106 HydrophobicContact CB-CZ2 4.34Å; E82-Y132 HydrophobicContact CG-CE1 3.97Å; E82-Y132 VanDerWaalsContact CG-OH 3.25Å; E82-Y132 WeakPolarHBondContact CG-OH 3.4Å; E82-Y132 PolarHBondContact OE1-OH 3.35Å; E82-H173 IonicContact OE1-CE1 2.96Å; E82-H173 IonicContact OE1-CG 2.91Å; E82-H173 IonicContact OE1-ND1 2.62Å; E82-H173 PolarHBondContact OE1-ND1 3Å; E82-H173 WeakPolarHBondContact OE2-CA 3.31Å; E82-H173 WeakPolarHBondContact OE2-CB 3.35Å; E82-H173 IonicContact OE2-CG 3.33Å; E82-H173 IonicContact OE2-ND1 2.81Å; E82-I174 HydrophobicContact CB-CD1 3.91Å; E82-I174 HydrophobicContact CB-CG1 4.34Å; E82-I174 HydrophobicContact CG-CD1 4.05Å; E82-I174 HydrophobicContact CG-CG1 4.23Å; E82-I174 PolarHBondContact OE2-N 3.39Å
83	F	96.3	Very high	93	Very high	58 Å²	58	70.3 Å²	70.3	25%	0.254	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-41.8	178.6	179.8	-117.1	0	0	0	111.3	L79 L80 A81 L85 V86 V87 P98 W106	L79-F83 PolarHBondContact O-N 3.03Å; L80-F83 PolarHBondContact O-N 3.2Å; A81-F83 PolarHBondContact O-N 2.93Å; F83-L85 VanDerWaalsContact C-N 3.29Å; F83-L85 PolarHBondContact O-N 3.42Å; F83-V86 WeakPolarHBondContact O-CB 3.43Å; F83-V86 PolarHBondContact O-N 2.96Å; F83-V86 VanDerWaalsContact O-N 3.13Å; F83-V87 HydrophobicContact CE1-CG2 4.16Å; F83-V87 HydrophobicContact CE2-CG2 4.06Å; F83-V87 HydrophobicContact CZ-CG2 3.88Å; F83-V87 WeakPolarHBondContact O-CG2 3.31Å; F83-V87 PolarHBondContact O-N 3.17Å; F83-P98 HydrophobicContact CB-CG 4.26Å; F83-P98 HydrophobicContact CD1-CG 4.28Å; F83-P98 HydrophobicContact CD2-CG 3.72Å; F83-P98 VanDerWaalsContact CE2-CD 3.42Å; F83-P98 HydrophobicContact CE2-CG 4.12Å; F83-P98 HydrophobicContact CG-CG 3.81Å; F83-W106 HydrophobicContact CB-CH2 3.82Å; F83-W106 HydrophobicContact CB-CZ2 4.02Å; F83-W106 HydrophobicContact CD2-CH2 4.45Å; F83-W106 HydrophobicContact CD2-CZ3 4.38Å
84	T	96.3	Very high	93.7	Very high	70 Å²	70	65.4 Å²	65.4	43%	0.429	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-40.3	173.7	-58.8	0	0	0	0	111.8	L80 A81 E82 K88	L80-T84 PolarHBondContact O-N 3.27Å; L80-T84 PolarHBondContact O-OG1 3.21Å; A81-T84 WeakPolarHBondContact O-CB 3.25Å; A81-T84 PolarHBondContact O-N 3.48Å; E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.4Å; T84-K88 HydrophobicContact CG2-CD 4.34Å; T84-K88 VanDerWaalsContact O-CG 3.29Å; T84-K88 WeakPolarHBondContact O-CG 3.47Å; T84-K88 PolarHBondContact O-N 2.72Å; T84-K88 VanDerWaalsContact O-N 3.11Å
85	L	95.8	Very high	94.2	Very high	53 Å²	53	66.1 Å²	66.1	28%	0.277	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-43.5	174.5	-71.1	171.2	0	0	0	111.4	A81 E82 F83 V87 K88 Q89	A81-L85 WeakPolarHBondContact O-CG 3.46Å; A81-L85 PolarHBondContact O-N 3.35Å; E82-L85 WeakPolarHBondContact O-CA 3.48Å; E82-L85 WeakPolarHBondContact O-CB 3.14Å; E82-L85 PolarHBondContact O-N 2.97Å; E82-L85 VanDerWaalsContact O-N 3.08Å; F83-L85 VanDerWaalsContact C-N 3.29Å; F83-L85 PolarHBondContact O-N 3.42Å; L85-V87 PolarHBondContact O-N 2.65Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 PolarHBondContact O-N 2.86Å; L85-K88 VanDerWaalsContact O-N 3.13Å; L85-Q89 WeakPolarHBondContact O-CG 3.22Å; L85-Q89 PolarHBondContact O-N 2.94Å
86	V	96.2	Very high	94.6	Very high	10 Å²	10	65.9 Å²	65.9	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-46.9	178.6	-179.1	0	0	0	0	111.6	E82 F83 K88 Q89 V96 W106 W175 L178	E82-V86 WeakPolarHBondContact O-CG2 3.32Å; E82-V86 PolarHBondContact O-N 2.99Å; F83-V86 WeakPolarHBondContact O-CB 3.43Å; F83-V86 PolarHBondContact O-N 2.96Å; F83-V86 VanDerWaalsContact O-N 3.13Å; V86-K88 VanDerWaalsContact C-N 3.27Å; V86-K88 PolarHBondContact O-N 3.38Å; V86-Q89 PolarHBondContact O-N 3.18Å; V86-V96 HydrophobicContact CG1-CG1 3.56Å; V86-W106 HydrophobicContact CG2-CH2 4.25Å; V86-W106 HydrophobicContact CG2-CZ3 3.75Å; V86-W175 HydrophobicContact CB-CB 4.4Å; V86-W175 HydrophobicContact CG2-CB 3.88Å; V86-L178 HydrophobicContact CG1-CD1 3.63Å; V86-L178 HydrophobicContact CG2-CD1 4.31Å
87	V	94.9	Very high	94.9	Very high	75 Å²	75	64 Å²	64	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-39.4	176.5	174.7	0	0	0	0	111.1	F83 L85 K90	F83-V87 HydrophobicContact CE1-CG2 4.16Å; F83-V87 HydrophobicContact CE2-CG2 4.06Å; F83-V87 HydrophobicContact CZ-CG2 3.88Å; F83-V87 WeakPolarHBondContact O-CG2 3.31Å; F83-V87 PolarHBondContact O-N 3.17Å; L85-V87 PolarHBondContact O-N 2.65Å; V87-K90 PolarHBondContact O-N 2.89Å
88	K	96.2	Very high	95.2	Very high	144 Å²	144	57.3 Å²	57.3	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-65.5	-35.6	177.3	-75.9	173.6	178.8	177.9	0	113.3	T84 L85 V86 K90	T84-K88 HydrophobicContact CG2-CD 4.34Å; T84-K88 VanDerWaalsContact O-CG 3.29Å; T84-K88 WeakPolarHBondContact O-CG 3.47Å; T84-K88 PolarHBondContact O-N 2.72Å; T84-K88 VanDerWaalsContact O-N 3.11Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 PolarHBondContact O-N 2.86Å; L85-K88 VanDerWaalsContact O-N 3.13Å; V86-K88 VanDerWaalsContact C-N 3.27Å; V86-K88 PolarHBondContact O-N 3.38Å; K88-K90 VanDerWaalsContact C-N 3.26Å; K88-K90 PolarHBondContact O-N 3.06Å
89	Q	95.5	Very high	95.4	Very high	82 Å²	82	55.7 Å²	55.7	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-68.1	-22.5	-179.5	-65.3	-52.2	-32.6	0	0	113.7	L85 V86 L91 W175	L85-Q89 WeakPolarHBondContact O-CG 3.22Å; L85-Q89 PolarHBondContact O-N 2.94Å; V86-Q89 PolarHBondContact O-N 3.18Å; Q89-L91 HydrophobicContact CB-CD2 3.75Å; Q89-L91 HydrophobicContact CB-CG 4.11Å; Q89-L91 PolarHBondContact O-N 3.12Å; Q89-W175 HydrophobicContact CG-CB 3.91Å; Q89-W175 HydrophobicContact CG-CD2 3.58Å; Q89-W175 HydrophobicContact CG-CE3 3.92Å; Q89-W175 HydrophobicContact CG-CG 3.59Å
90	K	92.9	Very high	95.4	Very high	136 Å²	136	62.4 Å²	62.4	59%	0.591	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	55.2	179.8	-60.9	177.3	-173.4	157.1	0	112.9	V87 K88 P92	V87-K90 PolarHBondContact O-N 2.89Å; K88-K90 VanDerWaalsContact C-N 3.26Å; K88-K90 PolarHBondContact O-N 3.06Å; K90-P92 WeakPolarHBondContact O-CD 3.39Å; K90-P92 VanDerWaalsContact O-N 3.14Å
91	L	94.6	Very high	95.3	Very high	20 Å²	20	65.9 Å²	65.9	11%	0.105	32%	0.324	C	S	.	.			trans	-63.6	112.8	-177.9	-57.9	-174.2	0	0	0	110.5	Q89 G93 V94 W175 L178 M179	Q89-L91 HydrophobicContact CB-CD2 3.75Å; Q89-L91 HydrophobicContact CB-CG 4.11Å; Q89-L91 PolarHBondContact O-N 3.12Å; L91-G93 PolarHBondContact O-N 3.18Å; L91-V94 HydrophobicContact CB-CB 3.97Å; L91-V94 HydrophobicContact CB-CG2 4.33Å; L91-V94 PolarHBondContact O-N 2.71Å; L91-W175 HydrophobicContact CD1-CB 4.48Å; L91-L178 HydrophobicContact CD1-CB 3.6Å; L91-L178 HydrophobicContact CD1-CD1 4.35Å; L91-M179 HydrophobicContact CD1-CG 3.79Å; L91-M179 HydrophobicContact CD2-CG 3.29Å; L91-M179 HydrophobicContact CD2-SD 3.52Å; L91-M179 VanDerWaalsContact CD2-SD 3.52Å; L91-M179 HydrophobicContact CG-CG 4.16Å
92	P	94	Very high	95.2	Very high	79 Å²	79	65.7 Å²	65.7	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	133.2	-172.9	22.4	-25.4	0	0	0	110.6	K90 V94 R182	K90-P92 WeakPolarHBondContact O-CD 3.39Å; K90-P92 VanDerWaalsContact O-N 3.14Å; P92-V94 PolarHBondContact O-N 3.49Å; P92-R182 VanDerWaalsContact CG-NH1 3.29Å; P92-R182 VanDerWaalsContact O-CD 3.31Å; P92-R182 WeakPolarHBondContact O-CD 3.37Å; P92-R182 PolarHBondContact O-NE 2.81Å; P92-R182 VanDerWaalsContact O-NE 3.14Å
93	G	95.7	Very high	95	Very high	15 Å²	15	66.9 Å²	66.9	16%	0.155	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	4.5	-176.9	0	0	0	0	0	114.4	L91 I110 F111	L91-G93 PolarHBondContact O-N 3.18Å; G93-I110 CarbonylContact O-C 3.59Å; G93-I110 WeakPolarHBondContact O-CA 3.38Å; G93-F111 PolarHBondContact O-N 3.13Å
94	V	97.7	Very high	95	Very high	16 Å²	16	66.3 Å²	66.3	10%	0.097	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.8	174.5	-175.6	0	0	0	0	108.8	L91 P92 I110 F124 L178 R182	L91-V94 HydrophobicContact CB-CB 3.97Å; L91-V94 HydrophobicContact CB-CG2 4.33Å; L91-V94 PolarHBondContact O-N 2.71Å; P92-V94 PolarHBondContact O-N 3.49Å; V94-I110 HydrophobicContact CG2-CG1 4.34Å; V94-I110 HydrophobicContact CG2-CG2 4.29Å; V94-F124 HydrophobicContact CG1-CZ 4.27Å; V94-L178 HydrophobicContact CG1-CB 4.32Å; V94-L178 HydrophobicContact CG1-CD2 4.49Å; V94-R182 HydrophobicContact CG2-CB 3.98Å; V94-R182 HydrophobicContact CG2-CG 4.39Å
95	Y	96.7	Very high	95	Very high	131 Å²	131	64.9 Å²	64.9	51%	0.514	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137	173.9	-60.4	-96.6	0	0	0	108	G108 V109 F111	Y95-G108 CarbonylContact O-C 3.57Å; Y95-G108 WeakPolarHBondContact O-CA 3.46Å; Y95-V109 HydrophobicContact CD2-CG1 4.34Å; Y95-V109 PolarHBondContact N-O 3.23Å; Y95-V109 PolarHBondContact O-N 3.05Å; Y95-F111 AromaticContact CD2-CD2 3.65Å; Y95-F111 HydrophobicContact CD2-CD2 3.65Å; Y95-F111 AromaticContact CD2-CE2 3.43Å; Y95-F111 HydrophobicContact CD2-CE2 3.43Å; Y95-F111 VanDerWaalsContact CD2-CE2 3.43Å; Y95-F111 AromaticContact CE2-CD2 3.6Å; Y95-F111 HydrophobicContact CE2-CD2 3.6Å; Y95-F111 AromaticContact CE2-CE2 3.56Å; Y95-F111 HydrophobicContact CE2-CE2 3.56Å
96	V	96.7	Very high	95.1	Very high	25 Å²	25	62.4 Å²	62.4	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.9	-180	71.6	0	0	0	0	109.9	V86 W106 F107 L178	V86-V96 HydrophobicContact CG1-CG1 3.56Å; V96-W106 HydrophobicContact CG1-CE3 4.49Å; V96-W106 HydrophobicContact CG2-CB 3.9Å; V96-W106 HydrophobicContact CG2-CE3 3.88Å; V96-F107 CarbonylContact C-O 3.47Å; V96-F107 VanDerWaalsContact CA-O 3.24Å; V96-F107 WeakPolarHBondContact CA-O 3.47Å; V96-F107 WeakPolarHBondContact CG2-O 3.37Å; V96-L178 HydrophobicContact CB-CD1 4.21Å; V96-L178 HydrophobicContact CG1-CD1 3.79Å; V96-L178 HydrophobicContact CG2-CD1 4.43Å
97	Q	94.8	Very high	95.1	Very high	59 Å²	59	62.5 Å²	62.5	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131.5	178	-176.8	165.3	-83.7	0	0	109.5	W106 F107 Y234	Q97-W106 CarbonylContact O-C 3.49Å; Q97-W106 WeakPolarHBondContact O-CA 3.48Å; Q97-F107 PolarHBondContact N-O 3.25Å; Q97-F107 PolarHBondContact O-N 2.91Å; Q97-Y234 VanDerWaalsContact NE2-CB 3.33Å; Q97-Y234 PolarHBondContact NE2-O 3.47Å; Q97-Y234 VanDerWaalsContact NE2-O 3.13Å
98	P	96.3	Very high	95.3	Very high	24 Å²	24	59 Å²	59	16%	0.156	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	145.4	171	-23.7	34.2	0	0	0	111.6	F83 W106 Y234	F83-P98 HydrophobicContact CB-CG 4.26Å; F83-P98 HydrophobicContact CD1-CG 4.28Å; F83-P98 HydrophobicContact CD2-CG 3.72Å; F83-P98 VanDerWaalsContact CE2-CD 3.42Å; F83-P98 HydrophobicContact CE2-CG 4.12Å; F83-P98 HydrophobicContact CG-CG 3.81Å; P98-W106 HydrophobicContact CB-CG 4.29Å; P98-W106 HydrophobicContact CG-CD2 4.23Å; P98-W106 HydrophobicContact CG-CG 4.37Å; P98-W106 HydrophobicContact CG-CZ2 4.48Å; P98-Y234 WeakPolarHBondContact O-CD2 3.32Å
99	S	95.7	Very high	95.3	Very high	12 Å²	12	52.4 Å²	52.4	8%	0.084	26%	0.257	C	S	.	.			trans	-62	147	172.8	155.5	0	0	0	0	110.4	R101 S102 M105 D232	S99-R101 VanDerWaalsContact C-N 3.34Å; S99-R101 PolarHBondContact OG-N 2.96Å; S99-S102 WeakPolarHBondContact CB-O 3.34Å; S99-S102 PolarHBondContact OG-N 3.05Å; S99-S102 VanDerWaalsContact OG-N 3.09Å; S99-M105 WeakPolarHBondContact CA-O 3.42Å; S99-M105 WeakPolarHBondContact CB-O 3.46Å; S99-M105 PolarHBondContact N-O 2.87Å; S99-D232 PolarHBondContact OG-OD2 3.04Å
100	Y	93.4	Very high	95.4	Very high	145 Å²	145	48.5 Å²	48.5	57%	0.569	24%	0.239	S	C	*	.	S	Bend	trans	-67.8	-38	171.2	177.2	-99.5	0	0	0	111.4	D232 P233 Y234	Y100-D232 VanDerWaalsContact CB-OD1 3.3Å; Y100-D232 WeakPolarHBondContact CB-OD1 3.37Å; Y100-D232 PolarHBondContact N-OD1 2.67Å; Y100-D232 PolarHBondContact N-OD2 3.28Å; Y100-D232 VanDerWaalsContact N-OD2 3.14Å; Y100-P233 HydrophobicContact CD1-CG 4.03Å; Y100-P233 HydrophobicContact CG-CG 4.23Å; Y100-Y234 HydrophobicContact CD2-CD2 4.4Å; Y100-Y234 HydrophobicContact CD2-CE1 4.19Å; Y100-Y234 AromaticContact CD2-CE2 3.89Å; Y100-Y234 HydrophobicContact CD2-CE2 3.89Å; Y100-Y234 AromaticContact CD2-CZ 3.78Å; Y100-Y234 HydrophobicContact CG-CE2 4.47Å
101	R	91.9	Very high	95.7	Very high	164 Å²	164	44 Å²	44	62%	0.619	22%	0.22	S	C	*	.	S	Bend	trans	-83	-25.1	-174.1	-64.2	-176	-172.7	-76.9	4.3	114.4	S99 E231 D232	S99-R101 VanDerWaalsContact C-N 3.34Å; S99-R101 PolarHBondContact OG-N 2.96Å; R101-E231 VanDerWaalsContact CZ-O 3.22Å; R101-E231 PolarHBondContact NE-O 2.82Å; R101-E231 PolarHBondContact NH2-O 2.91Å; R101-D232 WeakPolarHBondContact CB-OD2 3.37Å; R101-D232 WeakPolarHBondContact CG-OD2 3.39Å; R101-D232 PolarHBondContact N-OD2 3.21Å
102	S	92.5	Very high	95.8	Very high	48 Å²	48	43.2 Å²	43.2	34%	0.336	22%	0.215	S	C	.	.			trans	-152.6	124.1	-178.2	-178.3	0	0	0	0	112.4	S99 L104 M105	S99-S102 WeakPolarHBondContact CB-O 3.34Å; S99-S102 PolarHBondContact OG-N 3.05Å; S99-S102 VanDerWaalsContact OG-N 3.09Å; S102-L104 PolarHBondContact O-N 2.79Å; S102-L104 VanDerWaalsContact O-N 3.12Å; S102-L104 PolarHBondContact OG-N 3.23Å; S102-M105 PolarHBondContact O-N 3.35Å; S102-M105 VanDerWaalsContact O-N 3.13Å
103	A	91.2	Very high	95.8	Very high	38 Å²	38	47.7 Å²	47.7	31%	0.314	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.9	173.7	0	0	0	0	0	113	E76 L79 M105 W106	E76-A103 HydrophobicContact CG-CB 4.48Å; L79-A103 HydrophobicContact CD1-CB 3.76Å; A103-M105 VanDerWaalsContact C-N 3.26Å; A103-M105 PolarHBondContact O-N 3.35Å; A103-W106 PolarHBondContact O-NE1 3.37Å
104	L	95.1	Very high	95.7	Very high	47 Å²	47	52.1 Å²	52.1	25%	0.246	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.3	179.5	-63.7	175.5	0	0	0	114	L75 L79 S102 I128 D130	L75-L104 HydrophobicContact CD1-CD2 4.37Å; L75-L104 HydrophobicContact CD2-CD2 4.13Å; L75-L104 HydrophobicContact CG-CD2 4.46Å; L79-L104 HydrophobicContact CD1-CD2 3.72Å; L79-L104 HydrophobicContact CD1-CG 4.46Å; S102-L104 PolarHBondContact O-N 2.79Å; S102-L104 VanDerWaalsContact O-N 3.12Å; S102-L104 PolarHBondContact OG-N 3.23Å; L104-I128 HydrophobicContact CB-CB 4.47Å; L104-I128 HydrophobicContact CD2-CB 4.14Å; L104-I128 HydrophobicContact CD2-CG2 4.09Å; L104-I128 WeakPolarHBondContact O-CB 3.47Å; L104-I128 PolarHBondContact O-N 2.94Å; L104-D130 HydrophobicContact CD1-CB 4.12Å
105	M	96.5	Very high	95.7	Very high	39 Å²	39	53.4 Å²	53.4	19%	0.192	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.4	-179.6	-177.4	-179.7	-61.2	0	0	110.2	S99 S102 A103 F107 T125 V126 Y127 I230	S99-M105 WeakPolarHBondContact CA-O 3.42Å; S99-M105 WeakPolarHBondContact CB-O 3.46Å; S99-M105 PolarHBondContact N-O 2.87Å; S102-M105 PolarHBondContact O-N 3.35Å; S102-M105 VanDerWaalsContact O-N 3.13Å; A103-M105 VanDerWaalsContact C-N 3.26Å; A103-M105 PolarHBondContact O-N 3.35Å; M105-F107 HydrophobicContact CG-CE1 4.49Å; M105-F107 HydrophobicContact SD-CE1 4.03Å; M105-F107 HydrophobicContact SD-CZ 4.01Å; M105-T125 HydrophobicContact CG-CG2 3.56Å; M105-T125 HydrophobicContact SD-CG2 4.06Å; M105-V126 CarbonylContact C-O 3.54Å; M105-V126 WeakPolarHBondContact CA-O 3.49Å; M105-Y127 HydrophobicContact CE-CD1 4.05Å; M105-Y127 HydrophobicContact CE-CE1 3.56Å; M105-I230 HydrophobicContact CE-CD1 4.35Å; M105-I230 HydrophobicContact SD-CD1 3.77Å
106	W	97.8	Very high	95.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.7	177.8	-59.9	7.4	0	0	0	110.5	E82 F83 V86 V96 Q97 P98 A103 T125 V126 I128 I174	E82-W106 HydrophobicContact CB-CH2 3.88Å; E82-W106 HydrophobicContact CB-CZ2 4.34Å; F83-W106 HydrophobicContact CB-CH2 3.82Å; F83-W106 HydrophobicContact CB-CZ2 4.02Å; F83-W106 HydrophobicContact CD2-CH2 4.45Å; F83-W106 HydrophobicContact CD2-CZ3 4.38Å; V86-W106 HydrophobicContact CG2-CH2 4.25Å; V86-W106 HydrophobicContact CG2-CZ3 3.75Å; V96-W106 HydrophobicContact CG1-CE3 4.49Å; V96-W106 HydrophobicContact CG2-CB 3.9Å; V96-W106 HydrophobicContact CG2-CE3 3.88Å; Q97-W106 CarbonylContact O-C 3.49Å; Q97-W106 WeakPolarHBondContact O-CA 3.48Å; P98-W106 HydrophobicContact CB-CG 4.29Å; P98-W106 HydrophobicContact CG-CD2 4.23Å; P98-W106 HydrophobicContact CG-CG 4.37Å; P98-W106 HydrophobicContact CG-CZ2 4.48Å; A103-W106 PolarHBondContact O-NE1 3.37Å; W106-T125 CarbonylContact O-C 3.52Å; W106-T125 WeakPolarHBondContact O-CA 3.39Å; W106-V126 HydrophobicContact CB-CB 4.21Å; W106-V126 PolarHBondContact N-O 3.16Å; W106-V126 PolarHBondContact O-N 2.93Å; W106-I128 HydrophobicContact CD2-CD1 4.11Å; W106-I128 HydrophobicContact CG-CD1 4.16Å; W106-I128 HydrophobicContact CZ2-CD1 4.23Å; W106-I174 HydrophobicContact CE3-CG2 3.94Å; W106-I174 HydrophobicContact CH2-CB 4.3Å; W106-I174 HydrophobicContact CH2-CD1 3.66Å; W106-I174 HydrophobicContact CH2-CG2 4.16Å; W106-I174 HydrophobicContact CZ2-CD1 3.82Å; W106-I174 HydrophobicContact CZ3-CB 4.14Å; W106-I174 HydrophobicContact CZ3-CD1 4.14Å; W106-I174 HydrophobicContact CZ3-CG2 3.56Å
107	F	97.6	Very high	95.7	Very high	12 Å²	12	48.6 Å²	48.6	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.3	175	-56.6	-65.8	0	0	0	109.9	V96 Q97 M105 T125 I230 D232 Y234 A235 I236	V96-F107 CarbonylContact C-O 3.47Å; V96-F107 VanDerWaalsContact CA-O 3.24Å; V96-F107 WeakPolarHBondContact CA-O 3.47Å; V96-F107 WeakPolarHBondContact CG2-O 3.37Å; Q97-F107 PolarHBondContact N-O 3.25Å; Q97-F107 PolarHBondContact O-N 2.91Å; M105-F107 HydrophobicContact CG-CE1 4.49Å; M105-F107 HydrophobicContact SD-CE1 4.03Å; M105-F107 HydrophobicContact SD-CZ 4.01Å; F107-T125 HydrophobicContact CD1-CG2 4.44Å; F107-T125 HydrophobicContact CE1-CG2 4.49Å; F107-I230 HydrophobicContact CE1-CB 4.38Å; F107-I230 HydrophobicContact CE1-CD1 4.12Å; F107-I230 HydrophobicContact CZ-CB 4.44Å; F107-I230 HydrophobicContact CZ-CG2 4.25Å; F107-D232 HydrophobicContact CE2-CB 3.74Å; F107-D232 HydrophobicContact CZ-CB 3.75Å; F107-Y234 WeakPolarHBondContact CD2-O 3.27Å; F107-A235 HydrophobicContact CD2-CB 4.26Å; F107-A235 HydrophobicContact CE1-CB 4.41Å; F107-A235 HydrophobicContact CE2-CB 4.07Å; F107-A235 HydrophobicContact CG-CB 4.49Å; F107-A235 HydrophobicContact CZ-CB 4.15Å; F107-I236 HydrophobicContact CB-CD1 4.16Å; F107-I236 HydrophobicContact CB-CG1 3.98Å
108	G	97.7	Very high	95.8	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	165.5	177.7	0	0	0	0	0	114.1	Y95 K123 F124	Y95-G108 CarbonylContact O-C 3.57Å; Y95-G108 WeakPolarHBondContact O-CA 3.46Å; G108-K123 WeakPolarHBondContact O-CA 3.32Å; G108-F124 PolarHBondContact N-O 3.22Å; G108-F124 PolarHBondContact O-N 3.14Å; G108-F124 VanDerWaalsContact O-O 3.13Å
109	V	97.7	Very high	95.7	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.6	173.6	58.9	0	0	0	0	110.3	Y95 F111 V121 F122 K123 F124 I236 F238	Y95-V109 HydrophobicContact CD2-CG1 4.34Å; Y95-V109 PolarHBondContact N-O 3.23Å; Y95-V109 PolarHBondContact O-N 3.05Å; V109-F111 HydrophobicContact CB-CE2 4.46Å; V109-F111 HydrophobicContact CG1-CE2 3.7Å; V109-F111 HydrophobicContact CG1-CZ 4.24Å; V109-F111 HydrophobicContact CG2-CD2 4.45Å; V109-F111 HydrophobicContact CG2-CE2 3.98Å; V109-F111 HydrophobicContact CG2-CZ 4.11Å; V109-V121 HydrophobicContact CG2-CG1 3.56Å; V109-F122 CarbonylContact C-O 3.37Å; V109-F122 WeakPolarHBondContact CA-O 3.44Å; V109-K123 HydrophobicContact CG2-CG 4.41Å; V109-F124 VanDerWaalsContact N-CE1 3.27Å; V109-I236 HydrophobicContact CG1-CD1 4.14Å; V109-I236 HydrophobicContact CG1-CG2 4.34Å; V109-F238 HydrophobicContact CB-CZ 4.44Å; V109-F238 HydrophobicContact CG1-CZ 4.23Å; V109-F238 HydrophobicContact CG2-CE2 4.23Å; V109-F238 HydrophobicContact CG2-CZ 3.95Å
110	I	97.9	Very high	95.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130	174.4	-49.7	-171.6	0	0	0	109.5	G93 V94 I112 V121 F122 F124 A181 F185	G93-I110 CarbonylContact O-C 3.59Å; G93-I110 WeakPolarHBondContact O-CA 3.38Å; V94-I110 HydrophobicContact CG2-CG1 4.34Å; V94-I110 HydrophobicContact CG2-CG2 4.29Å; I110-I112 HydrophobicContact CG2-CD1 3.53Å; I110-I112 HydrophobicContact CG2-CG1 4.3Å; I110-V121 WeakPolarHBondContact O-CA 3.33Å; I110-F122 PolarHBondContact N-O 2.95Å; I110-F122 PolarHBondContact O-N 2.86Å; I110-F124 HydrophobicContact CD1-CD1 4.25Å; I110-F124 HydrophobicContact CD1-CE1 3.96Å; I110-F124 HydrophobicContact CG1-CD1 3.75Å; I110-F124 HydrophobicContact CG1-CE1 3.31Å; I110-F124 HydrophobicContact CG1-CZ 4.27Å; I110-A181 HydrophobicContact CD1-CB 3.94Å; I110-F185 HydrophobicContact CD1-CE2 4.39Å
111	F	97.5	Very high	95.9	Very high	43 Å²	43	48.9 Å²	48.9	19%	0.189	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.6	172.1	-62.9	-90.7	0	0	0	109.6	G93 Y95 V109 V121 F238	G93-F111 PolarHBondContact O-N 3.13Å; Y95-F111 AromaticContact CD2-CD2 3.65Å; Y95-F111 HydrophobicContact CD2-CD2 3.65Å; Y95-F111 AromaticContact CD2-CE2 3.43Å; Y95-F111 HydrophobicContact CD2-CE2 3.43Å; Y95-F111 VanDerWaalsContact CD2-CE2 3.43Å; Y95-F111 AromaticContact CE2-CD2 3.6Å; Y95-F111 HydrophobicContact CE2-CD2 3.6Å; Y95-F111 AromaticContact CE2-CE2 3.56Å; Y95-F111 HydrophobicContact CE2-CE2 3.56Å; V109-F111 HydrophobicContact CB-CE2 4.46Å; V109-F111 HydrophobicContact CG1-CE2 3.7Å; V109-F111 HydrophobicContact CG1-CZ 4.24Å; V109-F111 HydrophobicContact CG2-CD2 4.45Å; V109-F111 HydrophobicContact CG2-CE2 3.98Å; V109-F111 HydrophobicContact CG2-CZ 4.11Å; F111-V121 HydrophobicContact CD1-CB 4.43Å; F111-V121 HydrophobicContact CD1-CG1 4Å; F111-V121 HydrophobicContact CD1-CG2 3.76Å; F111-V121 HydrophobicContact CE1-CB 4.43Å; F111-V121 HydrophobicContact CE1-CG1 3.64Å; F111-V121 HydrophobicContact CE1-CG2 3.91Å; F111-V121 HydrophobicContact CZ-CG1 4.17Å; F111-F238 HydrophobicContact CE1-CE1 4.41Å; F111-F238 HydrophobicContact CE1-CZ 4.47Å; F111-F238 AromaticContact CZ-CE1 3.9Å; F111-F238 HydrophobicContact CZ-CE1 3.9Å; F111-F238 AromaticContact CZ-CZ 3.84Å; F111-F238 HydrophobicContact CZ-CZ 3.84Å
112	I	97.4	Very high	96.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.217	C	C	.	.			trans	-94.9	123.4	178.2	-55.1	-58.2	0	0	0	109.9	I110 H114 Y117 D119 G120 F122 F185 Y186	I110-I112 HydrophobicContact CG2-CD1 3.53Å; I110-I112 HydrophobicContact CG2-CG1 4.3Å; I112-H114 WeakPolarHBondContact CG2-O 3.46Å; I112-Y117 VanDerWaalsContact CB-O 3.3Å; I112-Y117 WeakPolarHBondContact CB-O 3.32Å; I112-Y117 WeakPolarHBondContact CG2-O 3.46Å; I112-D119 PolarHBondContact O-N 3.1Å; I112-G120 PolarHBondContact N-O 3.14Å; I112-F122 HydrophobicContact CG1-CD2 4.12Å; I112-F122 HydrophobicContact CG1-CE2 3.85Å; I112-F185 HydrophobicContact CD1-CB 3.76Å; I112-F185 HydrophobicContact CD1-CD2 3.69Å; I112-F185 HydrophobicContact CD1-CE2 4.5Å; I112-F185 HydrophobicContact CD1-CG 3.81Å; I112-F185 HydrophobicContact CG1-CB 4.24Å; I112-F185 HydrophobicContact CG1-CD2 4.27Å; I112-F185 HydrophobicContact CG1-CG 4.11Å; I112-Y186 HydrophobicContact CD1-CE2 4.39Å; I112-Y186 HydrophobicContact CG2-CE1 4.27Å
113	R	94.5	Very high	96.4	Very high	173 Å²	173	40 Å²	40	65%	0.653	21%	0.206	S	C	*	.			trans	-98.1	-18.2	-172.8	-62.4	-63.3	-174.8	176.6	-1.3	115.4
114	H	94.2	Very high	96.7	Very high	108 Å²	108	38.3 Å²	38.3	50%	0.5	19%	0.191	S	C	.	.	S	Bend	trans	-158.9	165.6	-176.8	55.5	-92.4	0	0	0	109.9	I112 Y186	I112-H114 WeakPolarHBondContact CG2-O 3.46Å; H114-Y186 AromaticContact CD2-CD1 3.66Å; H114-Y186 AromaticContact CD2-CE1 3.4Å; H114-Y186 WeakPolarHBondContact CD2-CE1 3.48Å; H114-Y186 AromaticContact CE1-CE1 3.48Å; H114-Y186 VanDerWaalsContact CE1-CE1 3.48Å; H114-Y186 WeakPolarHBondContact CE1-CE1 3.21Å; H114-Y186 AromaticContact CE1-CZ 4Å; H114-Y186 AromaticContact CG-CE1 3.85Å; H114-Y186 AromaticContact ND1-CE1 3.89Å; H114-Y186 AromaticContact NE2-CD1 3.42Å; H114-Y186 WeakPolarHBondContact NE2-CD1 3.37Å; H114-Y186 AromaticContact NE2-CE1 3.14Å; H114-Y186 WeakPolarHBondContact NE2-CE1 3.21Å; H114-Y186 WeakPolarHBondContact O-CE1 3.2Å
115	G	96.1	Very high	96.8	Very high	43 Å²	43	36.4 Å²	36.4	44%	0.443	18%	0.181	S	C	.	.	S	Bend	trans	90.9	-166.7	-177.7	0	0	0	0	0	112.2	Y117 Q118	G115-Y117 PolarHBondContact O-N 3.07Å; G115-Q118 WeakPolarHBondContact O-CB 3.44Å; G115-Q118 PolarHBondContact O-N 2.95Å; G115-Q118 VanDerWaalsContact O-N 3.14Å
116	L	97.1	Very high	96.9	Very high	55 Å²	55	34.5 Å²	34.5	29%	0.288	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.6	-172.6	-67.6	160.3	0	0	0	112.9	I188 Y202 F209 K210 V213	L116-I188 HydrophobicContact CD1-CD1 3.54Å; L116-Y202 HydrophobicContact CD1-CD2 4.46Å; L116-Y202 HydrophobicContact CD1-CE2 3.83Å; L116-F209 HydrophobicContact CD1-CD1 4.46Å; L116-F209 HydrophobicContact CD1-CE1 3.94Å; L116-K210 HydrophobicContact CD2-CD 4.2Å; L116-K210 HydrophobicContact CD2-CG 3.57Å; L116-V213 WeakPolarHBondContact O-CG1 3.09Å
117	Y	97.7	Very high	96.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	21.5	-179.6	-59.5	-95.8	0	0	0	112.9	I112 G115 G120 F122 V146 F147 H148 F185 I188 F209 V213	I112-Y117 VanDerWaalsContact CB-O 3.3Å; I112-Y117 WeakPolarHBondContact CB-O 3.32Å; I112-Y117 WeakPolarHBondContact CG2-O 3.46Å; G115-Y117 PolarHBondContact O-N 3.07Å; Y117-G120 PolarHBondContact O-N 2.87Å; Y117-F122 HydrophobicContact CD1-CE2 4.47Å; Y117-F122 HydrophobicContact CD1-CZ 4.13Å; Y117-V146 HydrophobicContact CD1-CG1 4.23Å; Y117-V146 HydrophobicContact CE1-CG1 3.96Å; Y117-F147 WeakPolarHBondContact CE1-O 3.39Å; Y117-F147 PolarHBondContact OH-O 2.97Å; Y117-H148 HydrophobicContact CE1-CB 4.47Å; Y117-H148 AromaticContact CE2-CD2 3.82Å; Y117-H148 AromaticContact CZ-CD2 3.57Å; Y117-H148 WeakPolarHBondContact OH-CA 3.14Å; Y117-H148 WeakPolarHBondContact OH-CB 3.23Å; Y117-H148 PolarHBondContact OH-CD2 3.24Å; Y117-F185 AromaticContact CD1-CD1 3.88Å; Y117-F185 HydrophobicContact CD1-CD1 3.88Å; Y117-F185 HydrophobicContact CD1-CE1 4.04Å; Y117-F185 HydrophobicContact CD2-CB 4.35Å; Y117-F185 AromaticContact CD2-CD1 3.72Å; Y117-F185 HydrophobicContact CD2-CD1 3.72Å; Y117-F185 HydrophobicContact CE1-CD1 4.25Å; Y117-F185 HydrophobicContact CE1-CE1 4.28Å; Y117-F185 HydrophobicContact CE2-CD1 4.11Å; Y117-F185 AromaticContact CG-CD1 3.61Å; Y117-F185 HydrophobicContact CG-CD1 3.61Å; Y117-F185 HydrophobicContact CG-CE1 4.24Å; Y117-I188 HydrophobicContact CE2-CD1 4.08Å; Y117-F209 WeakPolarHBondContact OH-CZ 3.37Å; Y117-V213 HydrophobicContact CD1-CG1 3.46Å; Y117-V213 VanDerWaalsContact CD1-CG1 3.46Å; Y117-V213 HydrophobicContact CD1-CG2 4.48Å; Y117-V213 HydrophobicContact CD2-CG1 4.42Å; Y117-V213 HydrophobicContact CE1-CB 4.29Å; Y117-V213 HydrophobicContact CE1-CG1 3.6Å; Y117-V213 HydrophobicContact CE1-CG2 3.77Å; Y117-V213 HydrophobicContact CE2-CG2 4.47Å; Y117-V213 HydrophobicContact CG-CG1 3.89Å
118	Q	96.3	Very high	96.9	Very high	112 Å²	112	38.2 Å²	38.2	52%	0.523	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	145.2	178.8	68	-176.8	9.2	0	0	111.9	G115 G120	G115-Q118 WeakPolarHBondContact O-CB 3.44Å; G115-Q118 PolarHBondContact O-N 2.95Å; G115-Q118 VanDerWaalsContact O-N 3.14Å; Q118-G120 PolarHBondContact O-N 2.87Å; Q118-G120 VanDerWaalsContact O-N 3.1Å
119	D	94	Very high	96.8	Very high	114 Å²	114	39.5 Å²	39.5	61%	0.61	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	4.1	-175	-53.6	-45.1	0	0	0	115	I112 V121	I112-D119 PolarHBondContact O-N 3.1Å; D119-V121 PolarHBondContact O-N 3.05Å
120	G	96.4	Very high	96.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	23%	0.225	C	C	.	.			trans	-64.3	129.1	171.3	0	0	0	0	0	112.3	I112 Y117 Q118	I112-G120 PolarHBondContact N-O 3.14Å; Y117-G120 PolarHBondContact O-N 2.87Å; Q118-G120 PolarHBondContact O-N 2.87Å; Q118-G120 VanDerWaalsContact O-N 3.1Å
121	V	97	Very high	96.1	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.121	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	105.6	170.4	-172.5	0	0	0	0	108.2	V109 I110 F111 D119 L224 F238	V109-V121 HydrophobicContact CG2-CG1 3.56Å; I110-V121 WeakPolarHBondContact O-CA 3.33Å; F111-V121 HydrophobicContact CD1-CB 4.43Å; F111-V121 HydrophobicContact CD1-CG1 4Å; F111-V121 HydrophobicContact CD1-CG2 3.76Å; F111-V121 HydrophobicContact CE1-CB 4.43Å; F111-V121 HydrophobicContact CE1-CG1 3.64Å; F111-V121 HydrophobicContact CE1-CG2 3.91Å; F111-V121 HydrophobicContact CZ-CG1 4.17Å; D119-V121 PolarHBondContact O-N 3.05Å; V121-L224 HydrophobicContact CB-CD1 4.11Å; V121-L224 HydrophobicContact CG1-CD1 3.59Å; V121-F238 HydrophobicContact CG1-CE2 4.44Å; V121-F238 HydrophobicContact CG1-CZ 4.19Å
122	F	97.4	Very high	95.9	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.9	-172.4	-53.1	-60.5	0	0	0	110.3	V109 I110 I112 Y117 F142 V146 F185 V217 C220	V109-F122 CarbonylContact C-O 3.37Å; V109-F122 WeakPolarHBondContact CA-O 3.44Å; I110-F122 PolarHBondContact N-O 2.95Å; I110-F122 PolarHBondContact O-N 2.86Å; I112-F122 HydrophobicContact CG1-CD2 4.12Å; I112-F122 HydrophobicContact CG1-CE2 3.85Å; Y117-F122 HydrophobicContact CD1-CE2 4.47Å; Y117-F122 HydrophobicContact CD1-CZ 4.13Å; F122-F142 HydrophobicContact CB-CD1 3.85Å; F122-F142 HydrophobicContact CB-CE1 3.86Å; F122-V146 HydrophobicContact CB-CG2 4.48Å; F122-V146 HydrophobicContact CD1-CG1 4.37Å; F122-V146 HydrophobicContact CD1-CG2 3.53Å; F122-V146 HydrophobicContact CE1-CG1 3.89Å; F122-V146 HydrophobicContact CE1-CG2 3.87Å; F122-V146 HydrophobicContact CG-CG2 4.03Å; F122-V146 HydrophobicContact CZ-CG1 4.03Å; F122-F185 HydrophobicContact CD2-CE1 4.04Å; F122-F185 HydrophobicContact CD2-CE2 4.27Å; F122-F185 AromaticContact CD2-CZ 3.76Å; F122-F185 HydrophobicContact CD2-CZ 3.76Å; F122-F185 HydrophobicContact CE2-CD1 4.23Å; F122-F185 AromaticContact CE2-CE1 3.76Å; F122-F185 HydrophobicContact CE2-CE1 3.76Å; F122-F185 AromaticContact CE2-CZ 3.99Å; F122-F185 HydrophobicContact CE2-CZ 3.99Å; F122-F185 HydrophobicContact CG-CZ 4.47Å; F122-F185 HydrophobicContact CZ-CE1 4.42Å; F122-V217 HydrophobicContact CE1-CG2 4.42Å; F122-V217 HydrophobicContact CZ-CG2 4Å; F122-C220 HydrophobicContact CD1-CB 4.09Å; F122-C220 HydrophobicContact CE1-CB 4.14Å
123	K	97.2	Very high	95.6	Very high	23 Å²	23	48 Å²	48	10%	0.1	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141.2	169.8	-63.6	-172.1	-61.2	-165.5	0	109.7	G108 V109 F142 D143 L224 F238	G108-K123 WeakPolarHBondContact O-CA 3.32Å; V109-K123 HydrophobicContact CG2-CG 4.41Å; K123-F142 WeakPolarHBondContact O-CA 3.3Å; K123-D143 HydrophobicContact CB-CB 4.14Å; K123-D143 VanDerWaalsContact CB-OD2 3.25Å; K123-D143 WeakPolarHBondContact CB-OD2 3.2Å; K123-D143 PolarHBondContact O-N 3.33Å; K123-L224 PolarHBondContact NZ-O 3.01Å; K123-F238 HydrophobicContact CD-CD2 4.37Å; K123-F238 HydrophobicContact CD-CE2 4.17Å; K123-F238 HydrophobicContact CG-CE2 4.23Å
124	F	97.8	Very high	95.3	Very high	2 Å²	2	45 Å²	45	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.6	177.9	65.3	-89.2	0	0	0	111.1	V94 G108 V109 I110 V126 L140 V141 F142 L178	V94-F124 HydrophobicContact CG1-CZ 4.27Å; G108-F124 PolarHBondContact N-O 3.22Å; G108-F124 PolarHBondContact O-N 3.14Å; G108-F124 VanDerWaalsContact O-O 3.13Å; V109-F124 VanDerWaalsContact N-CE1 3.27Å; I110-F124 HydrophobicContact CD1-CD1 4.25Å; I110-F124 HydrophobicContact CD1-CE1 3.96Å; I110-F124 HydrophobicContact CG1-CD1 3.75Å; I110-F124 HydrophobicContact CG1-CE1 3.31Å; I110-F124 HydrophobicContact CG1-CZ 4.27Å; F124-V126 HydrophobicContact CD2-CG2 3.91Å; F124-V126 HydrophobicContact CE2-CG2 3.63Å; F124-L140 HydrophobicContact CB-CD2 3.93Å; F124-L140 HydrophobicContact CB-CG 4.19Å; F124-L140 HydrophobicContact CD2-CD1 3.53Å; F124-L140 HydrophobicContact CD2-CD2 4.21Å; F124-L140 HydrophobicContact CD2-CG 3.64Å; F124-L140 HydrophobicContact CE2-CD1 3.69Å; F124-L140 HydrophobicContact CE2-CG 4.31Å; F124-L140 HydrophobicContact CG-CD1 4.12Å; F124-L140 HydrophobicContact CG-CD2 4.13Å; F124-L140 HydrophobicContact CG-CG 4.08Å; F124-L140 HydrophobicContact CZ-CD1 4.41Å; F124-V141 CarbonylContact C-O 3.56Å; F124-V141 WeakPolarHBondContact CA-O 3.35Å; F124-V141 WeakPolarHBondContact CB-O 3.26Å; F124-F142 HydrophobicContact CB-CD1 3.91Å; F124-F142 HydrophobicContact CB-CE1 4.28Å; F124-L178 HydrophobicContact CE2-CD2 3.59Å; F124-L178 HydrophobicContact CZ-CD2 3.67Å
125	T	98	Very high	94.9	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.7	171.8	-57.3	0	0	0	0	109.3	M105 W106 F107 Y127 V141	M105-T125 HydrophobicContact CG-CG2 3.56Å; M105-T125 HydrophobicContact SD-CG2 4.06Å; W106-T125 CarbonylContact O-C 3.52Å; W106-T125 WeakPolarHBondContact O-CA 3.39Å; F107-T125 HydrophobicContact CD1-CG2 4.44Å; F107-T125 HydrophobicContact CE1-CG2 4.49Å; T125-Y127 HydrophobicContact CG2-CD2 4.16Å; T125-Y127 HydrophobicContact CG2-CE1 4.11Å; T125-Y127 HydrophobicContact CG2-CE2 3.62Å; T125-V141 PolarHBondContact N-O 2.93Å; T125-V141 PolarHBondContact O-N 2.81Å
126	V	98.4	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126	170.8	-174.4	0	0	0	0	108.5	M105 W106 F124 I128 P138 R139 L140 L178	M105-V126 CarbonylContact C-O 3.54Å; M105-V126 WeakPolarHBondContact CA-O 3.49Å; W106-V126 HydrophobicContact CB-CB 4.21Å; W106-V126 PolarHBondContact N-O 3.16Å; W106-V126 PolarHBondContact O-N 2.93Å; F124-V126 HydrophobicContact CD2-CG2 3.91Å; F124-V126 HydrophobicContact CE2-CG2 3.63Å; V126-I128 HydrophobicContact CG1-CG1 4.1Å; V126-P138 HydrophobicContact CG1-CB 3.83Å; V126-R139 CarbonylContact C-O 3.58Å; V126-R139 VanDerWaalsContact CA-O 3.25Å; V126-R139 WeakPolarHBondContact CA-O 3.3Å; V126-L140 HydrophobicContact CG2-CD1 4.34Å; V126-L178 HydrophobicContact CG2-CD2 4.14Å
127	Y	97.8	Very high	94.7	Very high	81 Å²	81	41 Å²	41	32%	0.318	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.9	173.6	-60.5	-93.8	0	0	0	108.9	M105 T125 P138 R139 V141	M105-Y127 HydrophobicContact CE-CD1 4.05Å; M105-Y127 HydrophobicContact CE-CE1 3.56Å; T125-Y127 HydrophobicContact CG2-CD2 4.16Å; T125-Y127 HydrophobicContact CG2-CE1 4.11Å; T125-Y127 HydrophobicContact CG2-CE2 3.62Å; Y127-P138 CarbonylContact O-C 3.31Å; Y127-P138 VanDerWaalsContact O-CA 3.31Å; Y127-P138 WeakPolarHBondContact O-CA 3.45Å; Y127-R139 PolarHBondContact N-O 3.29Å; Y127-R139 PolarHBondContact O-N 2.95Å; Y127-V141 HydrophobicContact CD2-CG2 4.02Å; Y127-V141 HydrophobicContact CE2-CB 4.09Å; Y127-V141 HydrophobicContact CE2-CG2 3.87Å
128	I	97.1	Very high	94.7	Very high	10 Å²	10	41 Å²	41	5%	0.051	22%	0.216	C	C	.	.			trans	-104.5	130.2	-175.3	-55.5	162.4	0	0	0	107.8	L79 L104 W106 V126 Y132 P138 I174	L79-I128 HydrophobicContact CD2-CD1 4.02Å; L79-I128 HydrophobicContact CD2-CG2 3.85Å; L104-I128 HydrophobicContact CB-CB 4.47Å; L104-I128 HydrophobicContact CD2-CB 4.14Å; L104-I128 HydrophobicContact CD2-CG2 4.09Å; L104-I128 WeakPolarHBondContact O-CB 3.47Å; L104-I128 PolarHBondContact O-N 2.94Å; W106-I128 HydrophobicContact CD2-CD1 4.11Å; W106-I128 HydrophobicContact CG-CD1 4.16Å; W106-I128 HydrophobicContact CZ2-CD1 4.23Å; V126-I128 HydrophobicContact CG1-CG1 4.1Å; I128-Y132 HydrophobicContact CG2-CD2 3.76Å; I128-Y132 HydrophobicContact CG2-CG 3.76Å; I128-P138 HydrophobicContact CG1-CB 4.36Å; I128-I174 HydrophobicContact CD1-CD1 3.6Å; I128-I174 HydrophobicContact CG1-CD1 4.14Å
129	P	95.1	Very high	94.8	Very high	29 Å²	29	41.2 Å²	41.2	19%	0.188	21%	0.212	C	C	.	.			trans	-60.4	146.2	177.4	-26.9	37.5	0	0	0	112.6	N131 Y132 D136	P129-N131 WeakPolarHBondContact CB-OD1 3.17Å; P129-N131 PolarHBondContact O-N 3.4Å; P129-Y132 WeakPolarHBondContact O-CB 3.37Å; P129-Y132 PolarHBondContact O-N 2.95Å; P129-D136 HydrophobicContact CG-CB 4.42Å; P129-D136 WeakPolarHBondContact CG-O 3.39Å
130	D	91.6	Very high	95	Very high	124 Å²	124	35.8 Å²	35.8	66%	0.663	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.2	177.6	59.6	-10	0	0	0	113.3	L75 L104 Y132	L75-D130 VanDerWaalsContact CD2-O 3.26Å; L75-D130 WeakPolarHBondContact CD2-O 3.41Å; L104-D130 HydrophobicContact CD1-CB 4.12Å; D130-Y132 VanDerWaalsContact C-N 3.34Å
131	N	90.3	Very high	95.1	Very high	78 Å²	78	36.8 Å²	36.8	42%	0.417	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	14.4	173.4	68.8	-9.7	0	0	0	113.7	P129 D134 G135	P129-N131 WeakPolarHBondContact CB-OD1 3.17Å; P129-N131 PolarHBondContact O-N 3.4Å; N131-D134 WeakPolarHBondContact O-CA 3.43Å; N131-D134 WeakPolarHBondContact O-CB 3.37Å; N131-D134 PolarHBondContact O-N 3.22Å; N131-G135 VanDerWaalsContact ND2-CA 3.28Å; N131-G135 WeakPolarHBondContact ND2-CA 3.35Å; N131-G135 PolarHBondContact O-N 3.21Å; N131-G135 WeakPolarHBondContact OD1-CA 3.44Å
132	Y	92.2	Very high	95.2	Very high	11 Å²	11	36 Å²	36	4%	0.043	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	143	175.1	-178.3	-90.3	0	0	0	111.1	L75 L79 E82 I128 P129 D130 P138 W167 I174	L75-Y132 HydrophobicContact CD1-CD1 4.38Å; L75-Y132 VanDerWaalsContact CD1-O 3.3Å; L75-Y132 WeakPolarHBondContact CD1-O 3.46Å; L79-Y132 HydrophobicContact CD2-CD1 3.66Å; L79-Y132 HydrophobicContact CD2-CE1 3.99Å; L79-Y132 HydrophobicContact CD2-CG 4.23Å; E82-Y132 HydrophobicContact CG-CE1 3.97Å; E82-Y132 VanDerWaalsContact CG-OH 3.25Å; E82-Y132 WeakPolarHBondContact CG-OH 3.4Å; E82-Y132 PolarHBondContact OE1-OH 3.35Å; I128-Y132 HydrophobicContact CG2-CD2 3.76Å; I128-Y132 HydrophobicContact CG2-CG 3.76Å; P129-Y132 WeakPolarHBondContact O-CB 3.37Å; P129-Y132 PolarHBondContact O-N 2.95Å; D130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-P138 HydrophobicContact CE2-CG 4.5Å; Y132-W167 AromaticContact CE2-CE2 3.77Å; Y132-W167 AromaticContact CE2-CZ2 3.51Å; Y132-W167 HydrophobicContact CE2-CZ2 3.51Å; Y132-W167 AromaticContact CE2-NE1 3.69Å; Y132-I174 HydrophobicContact CE2-CG1 4.33Å
133	P	90.6	Very high	95.1	Very high	14 Å²	14	37.5 Å²	37.5	9%	0.091	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	24.1	-9.3	10.2	-4.6	0	0	0	116.9	W167 R169	P133-W167 VanDerWaalsContact O-CD1 3.29Å; P133-R169 HydrophobicContact CB-CB 4.32Å; P133-R169 HydrophobicContact CB-CG 3.98Å; P133-R169 HydrophobicContact CG-CG 3.94Å; P133-R169 VanDerWaalsContact CG-NH1 3.34Å
134	D	88.9	Confident	95	Very high	112 Å²	112	37.8 Å²	37.8	60%	0.599	19%	0.194	S	C	*	.	S	Bend	trans	-93.8	-6.6	-177.5	-66	-56.1	0	0	0	115.9	N131 R169	N131-D134 WeakPolarHBondContact O-CA 3.43Å; N131-D134 WeakPolarHBondContact O-CB 3.37Å; N131-D134 PolarHBondContact O-N 3.22Å; D134-R169 IonicContact OD1-CZ 2.54Å; D134-R169 IonicContact OD1-NE 3.87Å; D134-R169 PolarHBondContact OD1-NE 2.63Å; D134-R169 IonicContact OD1-NH1 3.27Å; D134-R169 IonicContact OD1-NH2 2.83Å; D134-R169 PolarHBondContact OD1-NH2 2.96Å; D134-R169 IonicContact OD2-CZ 3.66Å; D134-R169 VanDerWaalsContact OD2-CZ 3.27Å; D134-R169 IonicContact OD2-NH1 3.94Å; D134-R169 IonicContact OD2-NH2 3.78Å; D134-R169 PolarHBondContact OD2-NH2 3.14Å
135	G	86.7	Confident	94.8	Very high	17 Å²	17	40.1 Å²	40.1	18%	0.175	21%	0.21	C	C	.	.	S	Bend	trans	-105	-142.6	-174.3	0	0	0	0	0	115.8	N131 W167	N131-G135 VanDerWaalsContact ND2-CA 3.28Å; N131-G135 WeakPolarHBondContact ND2-CA 3.35Å; N131-G135 PolarHBondContact O-N 3.21Å; N131-G135 WeakPolarHBondContact OD1-CA 3.44Å; G135-W167 WeakPolarHBondContact O-CB 3.34Å
136	D	93	Very high	94.8	Very high	97 Å²	97	40 Å²	40	52%	0.519	21%	0.209	S	C	.	.	S	Bend	trans	-69.9	165.1	175.2	-92.3	1.5	0	0	0	111.7	P129 K161	P129-D136 HydrophobicContact CG-CB 4.42Å; P129-D136 WeakPolarHBondContact CG-O 3.39Å; D136-K161 IonicContact OD2-NZ 2.71Å; D136-K161 PolarHBondContact OD2-NZ 2.9Å
137	C	95.8	Very high	94.8	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.041	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-67.5	152.2	171.7	67.4	0	0	0	0	111.2	V160 F164 W167	C137-V160 HydrophobicContact CB-CG1 4.38Å; C137-F164 HydrophobicContact CB-CB 3.92Å; C137-W167 HydrophobicContact CB-CD2 4.28Å; C137-W167 HydrophobicContact CB-CE3 3.43Å; C137-W167 VanDerWaalsContact CB-CE3 3.43Å; C137-W167 HydrophobicContact CB-CZ3 3.99Å
138	P	97.6	Very high	94.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-54.5	144.3	168	-23.1	33.2	0	0	0	111.8	V126 Y127 I128 Y132 W167 I174	V126-P138 HydrophobicContact CG1-CB 3.83Å; Y127-P138 CarbonylContact O-C 3.31Å; Y127-P138 VanDerWaalsContact O-CA 3.31Å; Y127-P138 WeakPolarHBondContact O-CA 3.45Å; I128-P138 HydrophobicContact CG1-CB 4.36Å; Y132-P138 HydrophobicContact CE2-CG 4.5Å; P138-W167 VanDerWaalsContact CD-CZ3 3.42Å; P138-W167 HydrophobicContact CG-CH2 4.11Å; P138-W167 HydrophobicContact CG-CZ3 4.36Å; P138-I174 HydrophobicContact CG-CG1 4.25Å
139	R	98.3	Very high	94.9	Very high	117 Å²	117	36.8 Å²	36.8	44%	0.442	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.8	173.6	-61.6	168.6	62	-155.1	-1.5	109.2	V126 Y127 E157	V126-R139 CarbonylContact C-O 3.58Å; V126-R139 VanDerWaalsContact CA-O 3.25Å; V126-R139 WeakPolarHBondContact CA-O 3.3Å; Y127-R139 PolarHBondContact N-O 3.29Å; Y127-R139 PolarHBondContact O-N 2.95Å; R139-E157 WeakPolarHBondContact CG-OE1 3.17Å; R139-E157 IonicContact CZ-OE1 2.93Å; R139-E157 IonicContact CZ-OE2 3.9Å; R139-E157 IonicContact NE-OE1 3.44Å; R139-E157 PolarHBondContact NE-OE1 2.93Å; R139-E157 IonicContact NE-OE2 3.74Å; R139-E157 PolarHBondContact NE-OE2 2.93Å; R139-E157 IonicContact NH2-OE1 2.95Å; R139-E157 IonicContact NH2-OE2 3.71Å; R139-E157 PolarHBondContact NH2-OE2 3.46Å
140	L	98.6	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.9	173.5	-176	150	0	0	0	108.8	F124 V126 F142 L158 V160 L178 A181	F124-L140 HydrophobicContact CB-CD2 3.93Å; F124-L140 HydrophobicContact CB-CG 4.19Å; F124-L140 HydrophobicContact CD2-CD1 3.53Å; F124-L140 HydrophobicContact CD2-CD2 4.21Å; F124-L140 HydrophobicContact CD2-CG 3.64Å; F124-L140 HydrophobicContact CE2-CD1 3.69Å; F124-L140 HydrophobicContact CE2-CG 4.31Å; F124-L140 HydrophobicContact CG-CD1 4.12Å; F124-L140 HydrophobicContact CG-CD2 4.13Å; F124-L140 HydrophobicContact CG-CG 4.08Å; F124-L140 HydrophobicContact CZ-CD1 4.41Å; V126-L140 HydrophobicContact CG2-CD1 4.34Å; L140-F142 HydrophobicContact CD2-CD2 4.33Å; L140-F142 HydrophobicContact CD2-CE1 4.19Å; L140-F142 HydrophobicContact CD2-CE2 3.94Å; L140-F142 HydrophobicContact CD2-CZ 3.86Å; L140-L158 HydrophobicContact CB-CB 4.44Å; L140-L158 HydrophobicContact CD2-CB 3.96Å; L140-L158 HydrophobicContact CD2-CD2 4.11Å; L140-L158 PolarHBondContact O-N 2.71Å; L140-V160 HydrophobicContact CB-CG2 4.1Å; L140-L178 HydrophobicContact CD1-CD2 4.39Å; L140-A181 HydrophobicContact CD1-CB 3.58Å; L140-A181 HydrophobicContact CD2-CB 4.43Å
141	V	98.4	Very high	95.4	Very high	23 Å²	23	29.6 Å²	29.6	14%	0.139	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.7	-175.7	-174.4	0	0	0	0	109	F124 T125 Y127 S155 E157	F124-V141 CarbonylContact C-O 3.56Å; F124-V141 WeakPolarHBondContact CA-O 3.35Å; F124-V141 WeakPolarHBondContact CB-O 3.26Å; T125-V141 PolarHBondContact N-O 2.93Å; T125-V141 PolarHBondContact O-N 2.81Å; Y127-V141 HydrophobicContact CD2-CG2 4.02Å; Y127-V141 HydrophobicContact CE2-CB 4.09Å; Y127-V141 HydrophobicContact CE2-CG2 3.87Å; V141-S155 VanDerWaalsContact CG1-O 3.23Å; V141-S155 WeakPolarHBondContact CG1-O 3.4Å; V141-E157 HydrophobicContact CG2-CB 4.23Å; V141-E157 HydrophobicContact CG2-CG 4.31Å
142	F	97.9	Very high	95.8	Very high	3 Å²	3	28 Å²	28	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.3	173	-66.7	-74.5	0	0	0	110.5	F122 K123 F124 L140 I144 V146 V151 G156 L158 F185	F122-F142 HydrophobicContact CB-CD1 3.85Å; F122-F142 HydrophobicContact CB-CE1 3.86Å; K123-F142 WeakPolarHBondContact O-CA 3.3Å; F124-F142 HydrophobicContact CB-CD1 3.91Å; F124-F142 HydrophobicContact CB-CE1 4.28Å; L140-F142 HydrophobicContact CD2-CD2 4.33Å; L140-F142 HydrophobicContact CD2-CE1 4.19Å; L140-F142 HydrophobicContact CD2-CE2 3.94Å; L140-F142 HydrophobicContact CD2-CZ 3.86Å; F142-I144 WeakPolarHBondContact CB-O 3.24Å; F142-I144 PolarHBondContact O-N 2.86Å; F142-V146 HydrophobicContact CB-CG2 4.24Å; F142-V146 HydrophobicContact CD1-CG2 4.17Å; F142-V146 HydrophobicContact CD2-CG2 4.3Å; F142-V146 HydrophobicContact CG-CG2 3.97Å; F142-V151 HydrophobicContact CD2-CG1 3.99Å; F142-V151 HydrophobicContact CD2-CG2 3.99Å; F142-V151 HydrophobicContact CE2-CG2 3.67Å; F142-G156 WeakPolarHBondContact CD2-O 3.33Å; F142-G156 PolarHBondContact N-O 3.19Å; F142-L158 HydrophobicContact CE2-CB 4.24Å; F142-F185 HydrophobicContact CE1-CE2 4.31Å; F142-F185 HydrophobicContact CE1-CZ 4.09Å; F142-F185 HydrophobicContact CE2-CZ 4.38Å; F142-F185 AromaticContact CZ-CE2 3.85Å; F142-F185 HydrophobicContact CZ-CE2 3.85Å; F142-F185 AromaticContact CZ-CZ 3.66Å; F142-F185 HydrophobicContact CZ-CZ 3.66Å
143	D	95.7	Very high	96	Very high	34 Å²	34	30.6 Å²	30.6	18%	0.182	17%	0.166	C	C	.	.	S	Bend	trans	-62.9	-33.8	179.6	-72.7	0.1	0	0	0	111.3	K123 K229	K123-D143 HydrophobicContact CB-CB 4.14Å; K123-D143 VanDerWaalsContact CB-OD2 3.25Å; K123-D143 WeakPolarHBondContact CB-OD2 3.2Å; K123-D143 PolarHBondContact O-N 3.33Å; D143-K229 WeakPolarHBondContact O-CE 3.46Å; D143-K229 PolarHBondContact O-NZ 3.34Å
144	I	95.2	Very high	96.3	Very high	29 Å²	29	35.9 Å²	35.9	15%	0.149	20%	0.198	C	C	.	.	S	Bend	trans	-121.8	121.8	174.9	-62.2	167.4	0	0	0	105.8	F142 V146 V219 R223	F142-I144 WeakPolarHBondContact CB-O 3.24Å; F142-I144 PolarHBondContact O-N 2.86Å; I144-V146 PolarHBondContact O-N 2.93Å; I144-V146 VanDerWaalsContact O-N 3.13Å; I144-V219 HydrophobicContact CG2-CG1 4.06Å; I144-R223 HydrophobicContact CD1-CB 3.5Å; I144-R223 HydrophobicContact CD1-CG 4.17Å
145	P	94.1	Very high	96.7	Very high	52 Å²	52	33.2 Å²	33.2	34%	0.338	19%	0.188	S	C	.	.			trans	-54	121.2	178.8	-27.1	34.8	0	0	0	111.2	P153	P145-P153 WeakPolarHBondContact CB-O 3.44Å
146	V	97.5	Very high	97.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	18%	0.18	C	C	.	.			trans	-89.3	133.7	-179.6	-175.1	0	0	0	0	108.7	Y117 F122 F142 I144 H148 F185	Y117-V146 HydrophobicContact CD1-CG1 4.23Å; Y117-V146 HydrophobicContact CE1-CG1 3.96Å; F122-V146 HydrophobicContact CB-CG2 4.48Å; F122-V146 HydrophobicContact CD1-CG1 4.37Å; F122-V146 HydrophobicContact CD1-CG2 3.53Å; F122-V146 HydrophobicContact CE1-CG1 3.89Å; F122-V146 HydrophobicContact CE1-CG2 3.87Å; F122-V146 HydrophobicContact CG-CG2 4.03Å; F122-V146 HydrophobicContact CZ-CG1 4.03Å; F142-V146 HydrophobicContact CB-CG2 4.24Å; F142-V146 HydrophobicContact CD1-CG2 4.17Å; F142-V146 HydrophobicContact CD2-CG2 4.3Å; F142-V146 HydrophobicContact CG-CG2 3.97Å; I144-V146 PolarHBondContact O-N 2.93Å; I144-V146 VanDerWaalsContact O-N 3.13Å; V146-H148 PolarHBondContact O-N 2.87Å; V146-F185 HydrophobicContact CG1-CE1 4.02Å
147	F	98.4	Very high	97.5	Very high	25 Å²	25	30 Å²	30	11%	0.11	17%	0.166	C	C	.	.			trans	-69.8	92	177.3	-172.2	-98.2	0	0	0	110.1	Y117 E197 A198 L201 F209 K212 V213 S216	Y117-F147 WeakPolarHBondContact CE1-O 3.39Å; Y117-F147 PolarHBondContact OH-O 2.97Å; F147-E197 HydrophobicContact CE2-CG 4.34Å; F147-E197 HydrophobicContact CZ-CG 4.3Å; F147-A198 HydrophobicContact CD1-CB 4.22Å; F147-A198 HydrophobicContact CE1-CB 3.71Å; F147-A198 HydrophobicContact CE2-CB 4.06Å; F147-A198 VanDerWaalsContact CZ-CA 3.49Å; F147-A198 HydrophobicContact CZ-CB 3.62Å; F147-L201 HydrophobicContact CE1-CD1 4.43Å; F147-L201 HydrophobicContact CZ-CD1 3.96Å; F147-F209 HydrophobicContact CD1-CE2 4.41Å; F147-F209 AromaticContact CE1-CD2 3.9Å; F147-F209 HydrophobicContact CE1-CD2 3.9Å; F147-F209 HydrophobicContact CE1-CE2 4.06Å; F147-K212 HydrophobicContact CD1-CB 3.56Å; F147-K212 HydrophobicContact CE1-CB 3.46Å; F147-K212 VanDerWaalsContact CE1-CB 3.46Å; F147-K212 HydrophobicContact CE1-CG 4.17Å; F147-K212 HydrophobicContact CE2-CB 4.43Å; F147-K212 HydrophobicContact CG-CB 4.1Å; F147-K212 HydrophobicContact CZ-CB 3.93Å; F147-K212 HydrophobicContact CZ-CG 4.19Å; F147-V213 HydrophobicContact CD1-CG2 4.16Å; F147-S216 PolarHBondContact N-OG 3.13Å
148	H	98.6	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.			trans	-149.7	140.9	-174.7	-177.5	-78.3	0	0	0	110.7	Y117 V146 L150 V151 V184 N195	Y117-H148 HydrophobicContact CE1-CB 4.47Å; Y117-H148 AromaticContact CE2-CD2 3.82Å; Y117-H148 AromaticContact CZ-CD2 3.57Å; Y117-H148 WeakPolarHBondContact OH-CA 3.14Å; Y117-H148 WeakPolarHBondContact OH-CB 3.23Å; Y117-H148 PolarHBondContact OH-CD2 3.24Å; V146-H148 PolarHBondContact O-N 2.87Å; H148-L150 PolarHBondContact ND1-N 3.41Å; H148-L150 PolarHBondContact O-N 2.94Å; H148-L150 VanDerWaalsContact O-N 3.12Å; H148-V151 HydrophobicContact CB-CB 4.11Å; H148-V151 HydrophobicContact CB-CG2 3.85Å; H148-V151 PolarHBondContact O-N 2.75Å; H148-V184 PolarHBondContact NE2-O 3.45Å; H148-V184 VanDerWaalsContact NE2-O 3.14Å; H148-N195 WeakPolarHBondContact O-CB 3.33Å
149	P	98.5	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.4	-177	-30.7	38.5	0	0	0	115.5	I188 T190 P193 L194 N195 A198 A199 F209	P149-I188 HydrophobicContact CG-CG2 3.8Å; P149-T190 HydrophobicContact CG-CG2 4.31Å; P149-P193 HydrophobicContact CB-CB 4.25Å; P149-P193 CarbonylContact O-C 2.85Å; P149-P193 WeakPolarHBondContact O-CA 3.48Å; P149-P193 WeakPolarHBondContact O-CB 3.4Å; P149-L194 PolarHBondContact O-N 3.19Å; P149-N195 PolarHBondContact O-N 3.35Å; P149-A198 HydrophobicContact CG-CB 4.02Å; P149-A199 HydrophobicContact CB-CB 4.16Å; P149-F209 HydrophobicContact CG-CE2 4.42Å
150	L	98.4	Very high	97.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	8.1	-178.8	-53.9	-176.1	0	0	0	115	H148 L158 D159 V184 D189	H148-L150 PolarHBondContact ND1-N 3.41Å; H148-L150 PolarHBondContact O-N 2.94Å; H148-L150 VanDerWaalsContact O-N 3.12Å; L150-L158 HydrophobicContact CB-CD1 4.31Å; L150-D159 HydrophobicContact CB-CB 4.36Å; L150-D159 PolarHBondContact O-N 2.83Å; L150-V184 HydrophobicContact CD1-CB 4.29Å; L150-V184 HydrophobicContact CD1-CG1 3.76Å; L150-D189 HydrophobicContact CD1-CB 4.32Å; L150-D189 WeakPolarHBondContact CD2-O 3.28Å
151	V	98.6	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-112.3	127.2	177	177.2	0	0	0	0	108.1	F142 H148 E157 L158 N195	F142-V151 HydrophobicContact CD2-CG1 3.99Å; F142-V151 HydrophobicContact CD2-CG2 3.99Å; F142-V151 HydrophobicContact CE2-CG2 3.67Å; H148-V151 HydrophobicContact CB-CB 4.11Å; H148-V151 HydrophobicContact CB-CG2 3.85Å; H148-V151 PolarHBondContact O-N 2.75Å; V151-E157 WeakPolarHBondContact CA-O 3.42Å; V151-L158 HydrophobicContact CG2-CD1 4.06Å; V151-N195 WeakPolarHBondContact O-CB 3.44Å
152	D	98.3	Very high	97.4	Very high	44 Å²	44	33.5 Å²	33.5	24%	0.235	18%	0.181	C	C	.	.			trans	-63.3	123.1	175.2	178.2	73.6	0	0	0	109.8	T154 S155 G156 E157 L194	D152-T154 PolarHBondContact O-N 3.46Å; D152-T154 VanDerWaalsContact O-N 3.17Å; D152-T154 PolarHBondContact OD2-N 3.02Å; D152-S155 WeakPolarHBondContact CB-OG 3.44Å; D152-S155 VanDerWaalsContact CG-OG 3.29Å; D152-S155 VanDerWaalsContact OD2-CB 3.31Å; D152-S155 WeakPolarHBondContact OD2-CB 3.4Å; D152-S155 PolarHBondContact OD2-N 3.22Å; D152-S155 PolarHBondContact OD2-OG 3.47Å; D152-G156 WeakPolarHBondContact O-CA 3.49Å; D152-G156 PolarHBondContact O-N 3.02Å; D152-E157 PolarHBondContact N-O 2.94Å; D152-L194 HydrophobicContact CB-CD1 4.22Å
153	P	97.6	Very high	97.3	Very high	65 Å²	65	35.7 Å²	35.7	42%	0.422	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16	-171.5	26.8	-34.3	0	0	0	113.6	P145	P145-P153 WeakPolarHBondContact CB-O 3.44Å
154	T	97.1	Very high	97.3	Very high	126 Å²	126	35.1 Å²	35.1	77%	0.773	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-53.2	-176.5	-53.1	0	0	0	0	111.6	D152	D152-T154 PolarHBondContact O-N 3.46Å; D152-T154 VanDerWaalsContact O-N 3.17Å; D152-T154 PolarHBondContact OD2-N 3.02Å
155	S	97.3	Very high	97.3	Very high	56 Å²	56	38.3 Å²	38.3	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-23.7	-176.5	64.3	0	0	0	0	113.3	V141 D152 E157	V141-S155 VanDerWaalsContact CG1-O 3.23Å; V141-S155 WeakPolarHBondContact CG1-O 3.4Å; D152-S155 WeakPolarHBondContact CB-OG 3.44Å; D152-S155 VanDerWaalsContact CG-OG 3.29Å; D152-S155 VanDerWaalsContact OD2-CB 3.31Å; D152-S155 WeakPolarHBondContact OD2-CB 3.4Å; D152-S155 PolarHBondContact OD2-N 3.22Å; D152-S155 PolarHBondContact OD2-OG 3.47Å; S155-E157 WeakPolarHBondContact OG-CB 3.4Å; S155-E157 PolarHBondContact OG-N 3.09Å
156	G	97.9	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.			trans	75.6	9.3	-171.2	0	0	0	0	0	113.8	F142 D152	F142-G156 WeakPolarHBondContact CD2-O 3.33Å; F142-G156 PolarHBondContact N-O 3.19Å; D152-G156 WeakPolarHBondContact O-CA 3.49Å; D152-G156 PolarHBondContact O-N 3.02Å
157	E	98.5	Very high	97.2	Very high	47 Å²	47	44.3 Å²	44.3	22%	0.22	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-72.2	131.8	178.9	-174.6	162.6	-172.6	0	0	111.7	R139 V141 V151 D152 S155	R139-E157 WeakPolarHBondContact CG-OE1 3.17Å; R139-E157 IonicContact CZ-OE1 2.93Å; R139-E157 IonicContact CZ-OE2 3.9Å; R139-E157 IonicContact NE-OE1 3.44Å; R139-E157 PolarHBondContact NE-OE1 2.93Å; R139-E157 IonicContact NE-OE2 3.74Å; R139-E157 PolarHBondContact NE-OE2 2.93Å; R139-E157 IonicContact NH2-OE1 2.95Å; R139-E157 IonicContact NH2-OE2 3.71Å; R139-E157 PolarHBondContact NH2-OE2 3.46Å; V141-E157 HydrophobicContact CG2-CB 4.23Å; V141-E157 HydrophobicContact CG2-CG 4.31Å; V151-E157 WeakPolarHBondContact CA-O 3.42Å; D152-E157 PolarHBondContact N-O 2.94Å; S155-E157 WeakPolarHBondContact OG-CB 3.4Å; S155-E157 PolarHBondContact OG-N 3.09Å
158	L	98.7	Very high	97.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-80	139.8	171.9	177.5	68	0	0	0	110.2	L140 F142 L150 V151 V160 Y180 A181 V184	L140-L158 HydrophobicContact CB-CB 4.44Å; L140-L158 HydrophobicContact CD2-CB 3.96Å; L140-L158 HydrophobicContact CD2-CD2 4.11Å; L140-L158 PolarHBondContact O-N 2.71Å; F142-L158 HydrophobicContact CE2-CB 4.24Å; L150-L158 HydrophobicContact CB-CD1 4.31Å; V151-L158 HydrophobicContact CG2-CD1 4.06Å; L158-V160 HydrophobicContact CB-CG2 4.3Å; L158-V160 HydrophobicContact CD2-CG2 4.1Å; L158-V160 HydrophobicContact CG-CG2 4.18Å; L158-V160 PolarHBondContact O-N 2.96Å; L158-Y180 HydrophobicContact CD2-CD1 4.07Å; L158-Y180 HydrophobicContact CD2-CE1 4.07Å; L158-Y180 HydrophobicContact CG-CE1 4.23Å; L158-A181 HydrophobicContact CD2-CB 3.57Å; L158-V184 HydrophobicContact CD1-CG1 4.34Å; L158-V184 HydrophobicContact CD1-CG2 3.97Å
159	D	98	Very high	96.7	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.15	29%	0.287	C	S	.	.			trans	-68.5	66.8	173.4	-169.7	2.4	0	0	0	112.9	L150 K161 R162 Y180 L194	L150-D159 HydrophobicContact CB-CB 4.36Å; L150-D159 PolarHBondContact O-N 2.83Å; D159-K161 VanDerWaalsContact C-N 3.28Å; D159-K161 PolarHBondContact O-N 3.47Å; D159-R162 HydrophobicContact CB-CB 4.5Å; D159-R162 WeakPolarHBondContact O-CB 3.25Å; D159-R162 PolarHBondContact O-N 2.87Å; D159-R162 PolarHBondContact OD1-N 2.92Å; D159-R162 VanDerWaalsContact OD1-N 3.16Å; D159-R162 WeakPolarHBondContact OD2-CB 3.43Å; D159-R162 IonicContact OD2-CZ 3.72Å; D159-R162 IonicContact OD2-NE 2.79Å; D159-R162 PolarHBondContact OD2-NE 3.32Å; D159-R162 IonicContact OD2-NH2 3.72Å; D159-R162 PolarHBondContact OD2-NH2 3.39Å; D159-Y180 WeakPolarHBondContact O-CE1 3.34Å; D159-Y180 PolarHBondContact O-OH 3.28Å; D159-L194 HydrophobicContact CB-CD1 3.59Å; D159-L194 HydrophobicContact CB-CG 3.94Å
160	V	97.9	Very high	96.2	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.03	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-33.4	178.6	-180	0	0	0	0	110.7	C137 L140 L158 R162 A163 F164 V177	C137-V160 HydrophobicContact CB-CG1 4.38Å; L140-V160 HydrophobicContact CB-CG2 4.1Å; L158-V160 HydrophobicContact CB-CG2 4.3Å; L158-V160 HydrophobicContact CD2-CG2 4.1Å; L158-V160 HydrophobicContact CG-CG2 4.18Å; L158-V160 PolarHBondContact O-N 2.96Å; V160-R162 PolarHBondContact O-N 2.88Å; V160-A163 PolarHBondContact O-N 3.28Å; V160-F164 HydrophobicContact CG1-CD2 3.59Å; V160-F164 HydrophobicContact CG1-CE2 4.23Å; V160-F164 WeakPolarHBondContact O-CD2 3.16Å; V160-F164 PolarHBondContact O-N 3.47Å; V160-V177 HydrophobicContact CG1-CG1 3.85Å; V160-V177 HydrophobicContact CG1-CG2 4.14Å; V160-V177 HydrophobicContact CG2-CG1 4.04Å
161	K	96.1	Very high	96	Very high	110 Å²	110	67.5 Å²	67.5	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-27.7	-178.9	-72.1	-169.8	174.6	-165.8	0	112.6	D136 D159 A163 F164 A165	D136-K161 IonicContact OD2-NZ 2.71Å; D136-K161 PolarHBondContact OD2-NZ 2.9Å; D159-K161 VanDerWaalsContact C-N 3.28Å; D159-K161 PolarHBondContact O-N 3.47Å; K161-A163 VanDerWaalsContact C-N 3.32Å; K161-A163 PolarHBondContact O-N 2.82Å; K161-F164 CarbonylContact O-C 3.54Å; K161-F164 VanDerWaalsContact O-C 3.31Å; K161-F164 PolarHBondContact O-N 2.83Å; K161-A165 WeakPolarHBondContact O-CA 3.42Å; K161-A165 PolarHBondContact O-N 2.86Å
162	R	94.9	Very high	95.9	Very high	74 Å²	74	68.5 Å²	68.5	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-54.1	-45	169.4	176	-177.7	-58.3	-99.3	-13	113.7	D159 V160 D189 A191 S192	D159-R162 HydrophobicContact CB-CB 4.5Å; D159-R162 WeakPolarHBondContact O-CB 3.25Å; D159-R162 PolarHBondContact O-N 2.87Å; D159-R162 PolarHBondContact OD1-N 2.92Å; D159-R162 VanDerWaalsContact OD1-N 3.16Å; D159-R162 WeakPolarHBondContact OD2-CB 3.43Å; D159-R162 IonicContact OD2-CZ 3.72Å; D159-R162 IonicContact OD2-NE 2.79Å; D159-R162 PolarHBondContact OD2-NE 3.32Å; D159-R162 IonicContact OD2-NH2 3.72Å; D159-R162 PolarHBondContact OD2-NH2 3.39Å; V160-R162 PolarHBondContact O-N 2.88Å; R162-D189 IonicContact CZ-OD2 3.41Å; R162-D189 IonicContact NH1-OD2 2.93Å; R162-D189 PolarHBondContact NH1-OD2 2.86Å; R162-A191 PolarHBondContact NH1-O 2.77Å; R162-A191 PolarHBondContact NH2-O 2.78Å; R162-S192 PolarHBondContact NH2-O 2.92Å
163	A	95.4	Very high	95.9	Very high	48 Å²	48	68.5 Å²	68.5	40%	0.397	35%	0.352	S	S	.	.	H	α-helix	trans	-85	-26.9	-179.9	0	0	0	0	0	112.4	V160 K161 Y180	V160-A163 PolarHBondContact O-N 3.28Å; K161-A163 VanDerWaalsContact C-N 3.32Å; K161-A163 PolarHBondContact O-N 2.82Å; A163-Y180 HydrophobicContact CB-CD1 4.13Å; A163-Y180 HydrophobicContact CB-CD2 3.59Å; A163-Y180 HydrophobicContact CB-CE1 4.14Å; A163-Y180 HydrophobicContact CB-CE2 3.63Å; A163-Y180 HydrophobicContact CB-CG 3.86Å
164	F	96.5	Very high	95.9	Very high	22 Å²	22	65.4 Å²	65.4	10%	0.096	33%	0.332	C	S	.	.			trans	-129	55.7	-173.4	-55	-82.6	0	0	0	111.6	C137 V160 K161 K166 W167 N172 Q176 V177 Y180	C137-F164 HydrophobicContact CB-CB 3.92Å; V160-F164 HydrophobicContact CG1-CD2 3.59Å; V160-F164 HydrophobicContact CG1-CE2 4.23Å; V160-F164 WeakPolarHBondContact O-CD2 3.16Å; V160-F164 PolarHBondContact O-N 3.47Å; K161-F164 CarbonylContact O-C 3.54Å; K161-F164 VanDerWaalsContact O-C 3.31Å; K161-F164 PolarHBondContact O-N 2.83Å; F164-K166 PolarHBondContact O-N 2.76Å; F164-K166 VanDerWaalsContact O-N 3.13Å; F164-W167 HydrophobicContact CB-CE3 4.33Å; F164-W167 HydrophobicContact CD1-CE3 4.44Å; F164-W167 HydrophobicContact CD1-CZ3 4.23Å; F164-W167 HydrophobicContact CG-CZ3 4.37Å; F164-N172 HydrophobicContact CD1-CB 4.41Å; F164-Q176 HydrophobicContact CE1-CB 3.99Å; F164-Q176 HydrophobicContact CZ-CB 3.75Å; F164-V177 HydrophobicContact CD2-CG2 4.29Å; F164-V177 HydrophobicContact CE2-CG2 4Å; F164-V177 HydrophobicContact CZ-CG2 4.35Å; F164-Y180 HydrophobicContact CE2-CG 4.34Å
165	A	94.4	Very high	95.9	Very high	96 Å²	96	61.7 Å²	61.7	79%	0.793	30%	0.303	S	S	*	.	S	Bend	trans	-56.8	-32	-176.3	0	0	0	0	0	113.4	K161	K161-A165 WeakPolarHBondContact O-CA 3.42Å; K161-A165 PolarHBondContact O-N 2.86Å
166	K	94.7	Very high	95.9	Very high	161 Å²	161	61 Å²	61	70%	0.7	29%	0.294	S	S	*	.	S	Bend	trans	-132	117.5	168.6	-179.9	175.1	-178.4	173.8	0	109	F164	F164-K166 PolarHBondContact O-N 2.76Å; F164-K166 VanDerWaalsContact O-N 3.13Å
167	W	96	Very high	95.9	Very high	19 Å²	19	61 Å²	61	7%	0.072	29%	0.294	C	S	.	.			trans	-68.2	134	174.7	-168.2	-101.1	0	0	0	110.8	Y132 P133 G135 C137 P138 F164 N172 V177	Y132-W167 AromaticContact CE2-CE2 3.77Å; Y132-W167 AromaticContact CE2-CZ2 3.51Å; Y132-W167 HydrophobicContact CE2-CZ2 3.51Å; Y132-W167 AromaticContact CE2-NE1 3.69Å; P133-W167 VanDerWaalsContact O-CD1 3.29Å; G135-W167 WeakPolarHBondContact O-CB 3.34Å; C137-W167 HydrophobicContact CB-CD2 4.28Å; C137-W167 HydrophobicContact CB-CE3 3.43Å; C137-W167 VanDerWaalsContact CB-CE3 3.43Å; C137-W167 HydrophobicContact CB-CZ3 3.99Å; P138-W167 VanDerWaalsContact CD-CZ3 3.42Å; P138-W167 HydrophobicContact CG-CH2 4.11Å; P138-W167 HydrophobicContact CG-CZ3 4.36Å; F164-W167 HydrophobicContact CB-CE3 4.33Å; F164-W167 HydrophobicContact CD1-CE3 4.44Å; F164-W167 HydrophobicContact CD1-CZ3 4.23Å; F164-W167 HydrophobicContact CG-CZ3 4.37Å; W167-N172 HydrophobicContact CD2-CB 3.72Å; W167-N172 HydrophobicContact CE3-CB 3.67Å; W167-N172 HydrophobicContact CG-CB 4.47Å; W167-N172 HydrophobicContact CH2-CB 3.73Å; W167-N172 HydrophobicContact CZ2-CB 3.71Å; W167-N172 WeakPolarHBondContact CZ2-O 3.25Å; W167-N172 HydrophobicContact CZ3-CB 3.7Å; W167-V177 HydrophobicContact CH2-CG2 4.08Å; W167-V177 HydrophobicContact CZ3-CG2 3.8Å
168	R	95	Very high	95.9	Very high	150 Å²	150	58.8 Å²	58.8	57%	0.566	28%	0.284	S	S	*	.			trans	-121.4	107.5	-178.2	-64.1	-178.4	-173.6	-169.3	1.3	109.8	N170 H171 N172	R168-N170 VanDerWaalsContact C-N 3.26Å; R168-N170 PolarHBondContact O-N 3.48Å; R168-H171 HydrophobicContact CB-CB 3.92Å; R168-H171 PolarHBondContact O-N 3.48Å; R168-N172 PolarHBondContact N-OD1 3.04Å; R168-N172 PolarHBondContact O-N 3.23Å
169	R	91.1	Very high	95.9	Very high	107 Å²	107	62.8 Å²	62.8	40%	0.404	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38	-45.7	-175.4	-178.8	-172.7	-73.6	-93.5	35.3	116.4	P133 D134	P133-R169 HydrophobicContact CB-CB 4.32Å; P133-R169 HydrophobicContact CB-CG 3.98Å; P133-R169 HydrophobicContact CG-CG 3.94Å; P133-R169 VanDerWaalsContact CG-NH1 3.34Å; D134-R169 IonicContact OD1-CZ 2.54Å; D134-R169 IonicContact OD1-NE 3.87Å; D134-R169 PolarHBondContact OD1-NE 2.63Å; D134-R169 IonicContact OD1-NH1 3.27Å; D134-R169 IonicContact OD1-NH2 2.83Å; D134-R169 PolarHBondContact OD1-NH2 2.96Å; D134-R169 IonicContact OD2-CZ 3.66Å; D134-R169 VanDerWaalsContact OD2-CZ 3.27Å; D134-R169 IonicContact OD2-NH1 3.94Å; D134-R169 IonicContact OD2-NH2 3.78Å; D134-R169 PolarHBondContact OD2-NH2 3.14Å
170	N	88.8	Confident	95.9	Very high	133 Å²	133	62.8 Å²	62.8	71%	0.711	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	8.5	-172.8	-61.7	-29.4	0	0	0	113.7	R168	R168-N170 VanDerWaalsContact C-N 3.26Å; R168-N170 PolarHBondContact O-N 3.48Å
171	H	94	Very high	95.9	Very high	124 Å²	124	62.5 Å²	62.5	57%	0.574	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-35.9	-178.9	-71.3	70.1	0	0	0	111.9	R168 Q176	R168-H171 HydrophobicContact CB-CB 3.92Å; R168-H171 PolarHBondContact O-N 3.48Å; H171-Q176 PolarHBondContact O-NE2 3.13Å; H171-Q176 PolarHBondContact O-OE1 3.33Å
172	N	96.7	Very high	96	Very high	21 Å²	21	60.4 Å²	60.4	11%	0.112	29%	0.289	C	S	.	.			trans	-96.4	138.1	-179.9	-58.9	140.4	0	0	0	111.1	F164 W167 R168 Q176	F164-N172 HydrophobicContact CD1-CB 4.41Å; W167-N172 HydrophobicContact CD2-CB 3.72Å; W167-N172 HydrophobicContact CE3-CB 3.67Å; W167-N172 HydrophobicContact CG-CB 4.47Å; W167-N172 HydrophobicContact CH2-CB 3.73Å; W167-N172 HydrophobicContact CZ2-CB 3.71Å; W167-N172 WeakPolarHBondContact CZ2-O 3.25Å; W167-N172 HydrophobicContact CZ3-CB 3.7Å; R168-N172 PolarHBondContact N-OD1 3.04Å; R168-N172 PolarHBondContact O-N 3.23Å; N172-Q176 VanDerWaalsContact CA-OE1 3.3Å; N172-Q176 PolarHBondContact ND2-OE1 2.86Å
173	H	97.2	Very high	96.1	Very high	44 Å²	44	64 Å²	64	20%	0.204	30%	0.303	C	S	.	.			trans	-138.2	154.2	-177.4	-66	-70.9	0	0	0	109.6	E82 W175 Q176	E82-H173 IonicContact OE1-CE1 2.96Å; E82-H173 IonicContact OE1-CG 2.91Å; E82-H173 IonicContact OE1-ND1 2.62Å; E82-H173 PolarHBondContact OE1-ND1 3Å; E82-H173 WeakPolarHBondContact OE2-CA 3.31Å; E82-H173 WeakPolarHBondContact OE2-CB 3.35Å; E82-H173 IonicContact OE2-CG 3.33Å; E82-H173 IonicContact OE2-ND1 2.81Å; H173-W175 HydrophobicContact CB-CG 4.18Å; H173-W175 VanDerWaalsContact CB-NE1 3.27Å; H173-W175 AromaticContact CD2-NE1 3.74Å; H173-W175 AromaticContact CG-NE1 3.63Å; H173-W175 PolarHBondContact O-N 2.85Å; H173-Q176 HydrophobicContact CB-CG 4.41Å; H173-Q176 WeakPolarHBondContact O-CB 3.44Å; H173-Q176 PolarHBondContact O-N 2.91Å
174	I	97.4	Very high	96.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-34.5	-177.3	-61	177.6	0	0	0	110.8	L79 E82 W106 I128 Y132 P138 Q176 V177 L178	L79-I174 HydrophobicContact CD2-CD1 4.33Å; E82-I174 HydrophobicContact CB-CD1 3.91Å; E82-I174 HydrophobicContact CB-CG1 4.34Å; E82-I174 HydrophobicContact CG-CD1 4.05Å; E82-I174 HydrophobicContact CG-CG1 4.23Å; E82-I174 PolarHBondContact OE2-N 3.39Å; W106-I174 HydrophobicContact CE3-CG2 3.94Å; W106-I174 HydrophobicContact CH2-CB 4.3Å; W106-I174 HydrophobicContact CH2-CD1 3.66Å; W106-I174 HydrophobicContact CH2-CG2 4.16Å; W106-I174 HydrophobicContact CZ2-CD1 3.82Å; W106-I174 HydrophobicContact CZ3-CB 4.14Å; W106-I174 HydrophobicContact CZ3-CD1 4.14Å; W106-I174 HydrophobicContact CZ3-CG2 3.56Å; I128-I174 HydrophobicContact CD1-CD1 3.6Å; I128-I174 HydrophobicContact CG1-CD1 4.14Å; Y132-I174 HydrophobicContact CE2-CG1 4.33Å; P138-I174 HydrophobicContact CG-CG1 4.25Å; I174-Q176 PolarHBondContact O-N 3.26Å; I174-V177 WeakPolarHBondContact O-CB 3.38Å; I174-V177 PolarHBondContact O-N 3.44Å; I174-L178 PolarHBondContact O-N 3.14Å; I174-L178 VanDerWaalsContact O-N 3.09Å
175	W	97.4	Very high	96.2	Very high	48 Å²	48	61 Å²	61	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-28.6	175.5	70.8	-98.2	0	0	0	113.3	V86 Q89 L91 H173 L178 M179	V86-W175 HydrophobicContact CB-CB 4.4Å; V86-W175 HydrophobicContact CG2-CB 3.88Å; Q89-W175 HydrophobicContact CG-CB 3.91Å; Q89-W175 HydrophobicContact CG-CD2 3.58Å; Q89-W175 HydrophobicContact CG-CE3 3.92Å; Q89-W175 HydrophobicContact CG-CG 3.59Å; L91-W175 HydrophobicContact CD1-CB 4.48Å; H173-W175 HydrophobicContact CB-CG 4.18Å; H173-W175 VanDerWaalsContact CB-NE1 3.27Å; H173-W175 AromaticContact CD2-NE1 3.74Å; H173-W175 AromaticContact CG-NE1 3.63Å; H173-W175 PolarHBondContact O-N 2.85Å; W175-L178 PolarHBondContact O-N 2.86Å; W175-M179 HydrophobicContact CE3-CG 4.02Å; W175-M179 HydrophobicContact CE3-SD 3.42Å; W175-M179 HydrophobicContact CZ3-CE 4.47Å; W175-M179 HydrophobicContact CZ3-CG 4.34Å; W175-M179 HydrophobicContact CZ3-SD 3.26Å; W175-M179 WeakPolarHBondContact CZ3-SD 3.45Å; W175-M179 WeakPolarHBondContact O-CB 3.24Å; W175-M179 WeakPolarHBondContact O-CG 3.24Å; W175-M179 PolarHBondContact O-N 2.72Å
176	Q	98	Very high	96.3	Very high	43 Å²	43	60 Å²	60	20%	0.201	26%	0.257	C	S	.	.	H	α-helix	trans	-71.4	-35.5	176.5	-62.1	173.6	-10.1	0	0	111	F164 H171 N172 H173 I174 M179 Y180	F164-Q176 HydrophobicContact CE1-CB 3.99Å; F164-Q176 HydrophobicContact CZ-CB 3.75Å; H171-Q176 PolarHBondContact O-NE2 3.13Å; H171-Q176 PolarHBondContact O-OE1 3.33Å; N172-Q176 VanDerWaalsContact CA-OE1 3.3Å; N172-Q176 PolarHBondContact ND2-OE1 2.86Å; H173-Q176 HydrophobicContact CB-CG 4.41Å; H173-Q176 WeakPolarHBondContact O-CB 3.44Å; H173-Q176 PolarHBondContact O-N 2.91Å; I174-Q176 PolarHBondContact O-N 3.26Å; Q176-M179 PolarHBondContact O-N 3.38Å; Q176-Y180 WeakPolarHBondContact O-CB 3.37Å; Q176-Y180 PolarHBondContact O-N 2.98Å
177	V	98.3	Very high	96.4	Very high	0 Å²	0	59 Å²	59	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-45	171.9	179.2	0	0	0	0	110.1	V160 F164 W167 I174 M179 Y180 A181	V160-V177 HydrophobicContact CG1-CG1 3.85Å; V160-V177 HydrophobicContact CG1-CG2 4.14Å; V160-V177 HydrophobicContact CG2-CG1 4.04Å; F164-V177 HydrophobicContact CD2-CG2 4.29Å; F164-V177 HydrophobicContact CE2-CG2 4Å; F164-V177 HydrophobicContact CZ-CG2 4.35Å; W167-V177 HydrophobicContact CH2-CG2 4.08Å; W167-V177 HydrophobicContact CZ3-CG2 3.8Å; I174-V177 WeakPolarHBondContact O-CB 3.38Å; I174-V177 PolarHBondContact O-N 3.44Å; V177-M179 PolarHBondContact O-N 2.99Å; V177-Y180 WeakPolarHBondContact O-CB 3.31Å; V177-Y180 PolarHBondContact O-N 3.11Å; V177-A181 WeakPolarHBondContact O-CB 3.36Å; V177-A181 PolarHBondContact O-N 2.86Å
178	L	98.4	Very high	96.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-40.2	176.3	-62.3	177.9	0	0	0	112.4	V86 L91 V94 V96 F124 V126 L140 I174 W175 A181 R182	V86-L178 HydrophobicContact CG1-CD1 3.63Å; V86-L178 HydrophobicContact CG2-CD1 4.31Å; L91-L178 HydrophobicContact CD1-CB 3.6Å; L91-L178 HydrophobicContact CD1-CD1 4.35Å; V94-L178 HydrophobicContact CG1-CB 4.32Å; V94-L178 HydrophobicContact CG1-CD2 4.49Å; V96-L178 HydrophobicContact CB-CD1 4.21Å; V96-L178 HydrophobicContact CG1-CD1 3.79Å; V96-L178 HydrophobicContact CG2-CD1 4.43Å; F124-L178 HydrophobicContact CE2-CD2 3.59Å; F124-L178 HydrophobicContact CZ-CD2 3.67Å; V126-L178 HydrophobicContact CG2-CD2 4.14Å; L140-L178 HydrophobicContact CD1-CD2 4.39Å; I174-L178 PolarHBondContact O-N 3.14Å; I174-L178 VanDerWaalsContact O-N 3.09Å; W175-L178 PolarHBondContact O-N 2.86Å; L178-A181 PolarHBondContact O-N 3.12Å; L178-R182 PolarHBondContact O-N 3.01Å
179	M	97.5	Very high	96.6	Very high	86 Å²	86	55 Å²	55	42%	0.424	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-41	173.5	-81.5	-167.8	60.2	0	0	112.4	L91 W175 Q176 V177 R182 R183	L91-M179 HydrophobicContact CD1-CG 3.79Å; L91-M179 HydrophobicContact CD2-CG 3.29Å; L91-M179 HydrophobicContact CD2-SD 3.52Å; L91-M179 VanDerWaalsContact CD2-SD 3.52Å; L91-M179 HydrophobicContact CG-CG 4.16Å; W175-M179 HydrophobicContact CE3-CG 4.02Å; W175-M179 HydrophobicContact CE3-SD 3.42Å; W175-M179 HydrophobicContact CZ3-CE 4.47Å; W175-M179 HydrophobicContact CZ3-CG 4.34Å; W175-M179 HydrophobicContact CZ3-SD 3.26Å; W175-M179 WeakPolarHBondContact CZ3-SD 3.45Å; W175-M179 WeakPolarHBondContact O-CB 3.24Å; W175-M179 WeakPolarHBondContact O-CG 3.24Å; W175-M179 PolarHBondContact O-N 2.72Å; Q176-M179 PolarHBondContact O-N 3.38Å; V177-M179 PolarHBondContact O-N 2.99Å; M179-R182 PolarHBondContact O-N 3.38Å; M179-R183 WeakPolarHBondContact O-CB 3.48Å; M179-R183 PolarHBondContact O-N 3.08Å
180	Y	98.1	Very high	96.9	Very high	27 Å²	27	51.2 Å²	51.2	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-48.4	174.5	174.7	-108.7	0	0	0	111.1	L158 D159 A163 F164 Q176 V177 R182 R183 V184	L158-Y180 HydrophobicContact CD2-CD1 4.07Å; L158-Y180 HydrophobicContact CD2-CE1 4.07Å; L158-Y180 HydrophobicContact CG-CE1 4.23Å; D159-Y180 WeakPolarHBondContact O-CE1 3.34Å; D159-Y180 PolarHBondContact O-OH 3.28Å; A163-Y180 HydrophobicContact CB-CD1 4.13Å; A163-Y180 HydrophobicContact CB-CD2 3.59Å; A163-Y180 HydrophobicContact CB-CE1 4.14Å; A163-Y180 HydrophobicContact CB-CE2 3.63Å; A163-Y180 HydrophobicContact CB-CG 3.86Å; F164-Y180 HydrophobicContact CE2-CG 4.34Å; Q176-Y180 WeakPolarHBondContact O-CB 3.37Å; Q176-Y180 PolarHBondContact O-N 2.98Å; V177-Y180 WeakPolarHBondContact O-CB 3.31Å; V177-Y180 PolarHBondContact O-N 3.11Å; Y180-R182 VanDerWaalsContact C-N 3.25Å; Y180-R182 PolarHBondContact O-N 3.3Å; Y180-R183 WeakPolarHBondContact O-CA 3.35Å; Y180-R183 WeakPolarHBondContact O-CB 3.07Å; Y180-R183 PolarHBondContact O-N 3.35Å; Y180-V184 HydrophobicContact CD2-CG1 4.29Å; Y180-V184 HydrophobicContact CE1-CG1 4.06Å; Y180-V184 HydrophobicContact CE2-CG1 3.76Å; Y180-V184 PolarHBondContact O-N 3Å; Y180-V184 VanDerWaalsContact O-N 3.09Å
181	A	98.3	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-34.9	177.5	0	0	0	0	0	113.3	I110 L140 L158 V177 L178 V184 F185	I110-A181 HydrophobicContact CD1-CB 3.94Å; L140-A181 HydrophobicContact CD1-CB 3.58Å; L140-A181 HydrophobicContact CD2-CB 4.43Å; L158-A181 HydrophobicContact CD2-CB 3.57Å; V177-A181 WeakPolarHBondContact O-CB 3.36Å; V177-A181 PolarHBondContact O-N 2.86Å; L178-A181 PolarHBondContact O-N 3.12Å; A181-V184 VanDerWaalsContact O-CG2 3.26Å; A181-V184 WeakPolarHBondContact O-CG2 3.5Å; A181-F185 WeakPolarHBondContact O-CD2 3.24Å; A181-F185 VanDerWaalsContact O-CE2 3.3Å; A181-F185 WeakPolarHBondContact O-CE2 3.01Å
182	R	97.4	Very high	97.3	Very high	66 Å²	66	46.5 Å²	46.5	25%	0.249	23%	0.227	C	C	.	.	H	α-helix	trans	-72.1	-41.1	170.5	177.6	171.2	165.5	-124.9	-2.2	112.2	P92 V94 L178 M179 Y180 V184 F185 Y186	P92-R182 VanDerWaalsContact CG-NH1 3.29Å; P92-R182 VanDerWaalsContact O-CD 3.31Å; P92-R182 WeakPolarHBondContact O-CD 3.37Å; P92-R182 PolarHBondContact O-NE 2.81Å; P92-R182 VanDerWaalsContact O-NE 3.14Å; V94-R182 HydrophobicContact CG2-CB 3.98Å; V94-R182 HydrophobicContact CG2-CG 4.39Å; L178-R182 PolarHBondContact O-N 3.01Å; M179-R182 PolarHBondContact O-N 3.38Å; Y180-R182 VanDerWaalsContact C-N 3.25Å; Y180-R182 PolarHBondContact O-N 3.3Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 2.81Å; R182-F185 PolarHBondContact O-N 2.81Å; R182-Y186 HydrophobicContact CG-CD2 4.24Å; R182-Y186 HydrophobicContact CG-CE2 3.67Å; R182-Y186 VanDerWaalsContact O-CD2 3.24Å; R182-Y186 WeakPolarHBondContact O-CD2 3.48Å
183	R	97.2	Very high	97.3	Very high	149 Å²	149	47.4 Å²	47.4	56%	0.562	23%	0.234	S	C	*	.	H	α-helix	trans	-62	-37.9	-175.3	-176.3	-176.9	-176.6	-175.6	3.8	112.8	M179 Y180 F185 Y186 K187	M179-R183 WeakPolarHBondContact O-CB 3.48Å; M179-R183 PolarHBondContact O-N 3.08Å; Y180-R183 WeakPolarHBondContact O-CA 3.35Å; Y180-R183 WeakPolarHBondContact O-CB 3.07Å; Y180-R183 PolarHBondContact O-N 3.35Å; R183-F185 PolarHBondContact O-N 2.92Å; R183-Y186 PolarHBondContact O-N 3.43Å; R183-K187 PolarHBondContact O-N 3.19Å
184	V	97.6	Very high	97.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-32.3	-176.1	-62.1	0	0	0	0	112.7	H148 L150 L158 Y180 A181 R182 Y186 K187	H148-V184 PolarHBondContact NE2-O 3.45Å; H148-V184 VanDerWaalsContact NE2-O 3.14Å; L150-V184 HydrophobicContact CD1-CB 4.29Å; L150-V184 HydrophobicContact CD1-CG1 3.76Å; L158-V184 HydrophobicContact CD1-CG1 4.34Å; L158-V184 HydrophobicContact CD1-CG2 3.97Å; Y180-V184 HydrophobicContact CD2-CG1 4.29Å; Y180-V184 HydrophobicContact CE1-CG1 4.06Å; Y180-V184 HydrophobicContact CE2-CG1 3.76Å; Y180-V184 PolarHBondContact O-N 3Å; Y180-V184 VanDerWaalsContact O-N 3.09Å; A181-V184 VanDerWaalsContact O-CG2 3.26Å; A181-V184 WeakPolarHBondContact O-CG2 3.5Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 2.81Å; V184-Y186 VanDerWaalsContact C-N 3.31Å; V184-Y186 PolarHBondContact O-N 3.21Å; V184-K187 CarbonylContact O-C 3.47Å
185	F	97.7	Very high	97.4	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.018	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-22.7	176.6	-65.6	-71.2	0	0	0	114.5	I110 I112 Y117 F122 F142 V146 A181 R182 R183	I110-F185 HydrophobicContact CD1-CE2 4.39Å; I112-F185 HydrophobicContact CD1-CB 3.76Å; I112-F185 HydrophobicContact CD1-CD2 3.69Å; I112-F185 HydrophobicContact CD1-CE2 4.5Å; I112-F185 HydrophobicContact CD1-CG 3.81Å; I112-F185 HydrophobicContact CG1-CB 4.24Å; I112-F185 HydrophobicContact CG1-CD2 4.27Å; I112-F185 HydrophobicContact CG1-CG 4.11Å; Y117-F185 AromaticContact CD1-CD1 3.88Å; Y117-F185 HydrophobicContact CD1-CD1 3.88Å; Y117-F185 HydrophobicContact CD1-CE1 4.04Å; Y117-F185 HydrophobicContact CD2-CB 4.35Å; Y117-F185 AromaticContact CD2-CD1 3.72Å; Y117-F185 HydrophobicContact CD2-CD1 3.72Å; Y117-F185 HydrophobicContact CE1-CD1 4.25Å; Y117-F185 HydrophobicContact CE1-CE1 4.28Å; Y117-F185 HydrophobicContact CE2-CD1 4.11Å; Y117-F185 AromaticContact CG-CD1 3.61Å; Y117-F185 HydrophobicContact CG-CD1 3.61Å; Y117-F185 HydrophobicContact CG-CE1 4.24Å; F122-F185 HydrophobicContact CD2-CE1 4.04Å; F122-F185 HydrophobicContact CD2-CE2 4.27Å; F122-F185 AromaticContact CD2-CZ 3.76Å; F122-F185 HydrophobicContact CD2-CZ 3.76Å; F122-F185 HydrophobicContact CE2-CD1 4.23Å; F122-F185 AromaticContact CE2-CE1 3.76Å; F122-F185 HydrophobicContact CE2-CE1 3.76Å; F122-F185 AromaticContact CE2-CZ 3.99Å; F122-F185 HydrophobicContact CE2-CZ 3.99Å; F122-F185 HydrophobicContact CG-CZ 4.47Å; F122-F185 HydrophobicContact CZ-CE1 4.42Å; F142-F185 HydrophobicContact CE1-CE2 4.31Å; F142-F185 HydrophobicContact CE1-CZ 4.09Å; F142-F185 HydrophobicContact CE2-CZ 4.38Å; F142-F185 AromaticContact CZ-CE2 3.85Å; F142-F185 HydrophobicContact CZ-CE2 3.85Å; F142-F185 AromaticContact CZ-CZ 3.66Å; F142-F185 HydrophobicContact CZ-CZ 3.66Å; V146-F185 HydrophobicContact CG1-CE1 4.02Å; A181-F185 WeakPolarHBondContact O-CD2 3.24Å; A181-F185 VanDerWaalsContact O-CE2 3.3Å; A181-F185 WeakPolarHBondContact O-CE2 3.01Å; R182-F185 PolarHBondContact O-N 2.81Å; R183-F185 PolarHBondContact O-N 2.92Å
186	Y	96.5	Very high	97.4	Very high	74 Å²	74	50.1 Å²	50.1	29%	0.29	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-26.9	179.3	-62.7	-68.6	0	0	0	112.9	I112 H114 R182 R183 V184	I112-Y186 HydrophobicContact CD1-CE2 4.39Å; I112-Y186 HydrophobicContact CG2-CE1 4.27Å; H114-Y186 AromaticContact CD2-CD1 3.66Å; H114-Y186 AromaticContact CD2-CE1 3.4Å; H114-Y186 WeakPolarHBondContact CD2-CE1 3.48Å; H114-Y186 AromaticContact CE1-CE1 3.48Å; H114-Y186 VanDerWaalsContact CE1-CE1 3.48Å; H114-Y186 WeakPolarHBondContact CE1-CE1 3.21Å; H114-Y186 AromaticContact CE1-CZ 4Å; H114-Y186 AromaticContact CG-CE1 3.85Å; H114-Y186 AromaticContact ND1-CE1 3.89Å; H114-Y186 AromaticContact NE2-CD1 3.42Å; H114-Y186 WeakPolarHBondContact NE2-CD1 3.37Å; H114-Y186 AromaticContact NE2-CE1 3.14Å; H114-Y186 WeakPolarHBondContact NE2-CE1 3.21Å; H114-Y186 WeakPolarHBondContact O-CE1 3.2Å; R182-Y186 HydrophobicContact CG-CD2 4.24Å; R182-Y186 HydrophobicContact CG-CE2 3.67Å; R182-Y186 VanDerWaalsContact O-CD2 3.24Å; R182-Y186 WeakPolarHBondContact O-CD2 3.48Å; R183-Y186 PolarHBondContact O-N 3.43Å; V184-Y186 VanDerWaalsContact C-N 3.31Å; V184-Y186 PolarHBondContact O-N 3.21Å
187	K	96.6	Very high	97.4	Very high	140 Å²	140	52.6 Å²	52.6	61%	0.609	27%	0.269	S	S	*	.	S	Bend	trans	-130.9	92.4	176.6	-173.2	-179.5	179.8	-178.6	0	108.7	R183 V184	R183-K187 PolarHBondContact O-N 3.19Å; V184-K187 CarbonylContact O-C 3.47Å
188	I	97.2	Very high	97.5	Very high	22 Å²	22	52.6 Å²	52.6	11%	0.113	27%	0.269	C	S	.	.			trans	-70.4	129.6	176.6	-63.6	171.3	0	0	0	108.8	L116 Y117 P149 T190 Y202 F209	L116-I188 HydrophobicContact CD1-CD1 3.54Å; Y117-I188 HydrophobicContact CE2-CD1 4.08Å; P149-I188 HydrophobicContact CG-CG2 3.8Å; I188-T190 HydrophobicContact CG2-CG2 4.2Å; I188-Y202 HydrophobicContact CB-CE1 4.18Å; I188-Y202 HydrophobicContact CB-CE2 4.15Å; I188-Y202 HydrophobicContact CD1-CD2 3.8Å; I188-Y202 HydrophobicContact CD1-CE2 3.44Å; I188-Y202 VanDerWaalsContact CD1-CE2 3.44Å; I188-Y202 HydrophobicContact CG1-CE2 4.38Å; I188-Y202 HydrophobicContact CG2-CD1 3.94Å; I188-Y202 HydrophobicContact CG2-CD2 4.17Å; I188-Y202 HydrophobicContact CG2-CE1 3.91Å; I188-Y202 HydrophobicContact CG2-CE2 4.18Å; I188-Y202 HydrophobicContact CG2-CG 4.05Å; I188-F209 HydrophobicContact CD1-CE1 3.98Å; I188-F209 HydrophobicContact CD1-CZ 3.92Å
189	D	96.6	Very high	97.5	Very high	63 Å²	63	52.8 Å²	52.8	34%	0.337	27%	0.271	S	S	.	.			trans	-117.3	128.9	172.2	174.6	17.1	0	0	0	108	L150 R162 A191	L150-D189 HydrophobicContact CD1-CB 4.32Å; L150-D189 WeakPolarHBondContact CD2-O 3.28Å; R162-D189 IonicContact CZ-OD2 3.41Å; R162-D189 IonicContact NH1-OD2 2.93Å; R162-D189 PolarHBondContact NH1-OD2 2.86Å; D189-A191 WeakPolarHBondContact OD1-CB 3.4Å; D189-A191 PolarHBondContact OD1-N 3.37Å
190	T	97.3	Very high	97.5	Very high	28 Å²	28	52 Å²	52	17%	0.172	27%	0.27	C	S	.	.			trans	-108.4	-0.9	-177.2	52.5	0	0	0	0	113.2	P149 I188 S192 P193 A199 Y202 E203	P149-T190 HydrophobicContact CG-CG2 4.31Å; I188-T190 HydrophobicContact CG2-CG2 4.2Å; T190-S192 PolarHBondContact O-N 3.39Å; T190-P193 WeakPolarHBondContact O-CD 3.48Å; T190-A199 HydrophobicContact CG2-CB 4.08Å; T190-Y202 HydrophobicContact CG2-CD1 3.56Å; T190-Y202 HydrophobicContact CG2-CE1 4.36Å; T190-Y202 HydrophobicContact CG2-CG 4.23Å; T190-E203 WeakPolarHBondContact CB-OE1 3.38Å; T190-E203 HydrophobicContact CG2-CG 4.18Å; T190-E203 PolarHBondContact OG1-OE1 3.15Å
191	A	96.1	Very high	97.5	Very high	53 Å²	53	51.7 Å²	51.7	44%	0.438	27%	0.271	S	S	.	.	S	Bend	trans	-66.3	133.9	175.1	0	0	0	0	0	110.5	R162 D189	R162-A191 PolarHBondContact NH1-O 2.77Å; R162-A191 PolarHBondContact NH2-O 2.78Å; D189-A191 WeakPolarHBondContact OD1-CB 3.4Å; D189-A191 PolarHBondContact OD1-N 3.37Å
192	S	95.7	Very high	97.5	Very high	106 Å²	106	55.5 Å²	55.5	74%	0.741	29%	0.286	S	S	*	.	S	Bend	trans	42.1	57.1	178	-57.4	0	0	0	0	114.3	R162 T190	R162-S192 PolarHBondContact NH2-O 2.92Å; T190-S192 PolarHBondContact O-N 3.39Å
193	P	97.4	Very high	97.5	Very high	39 Å²	39	58 Å²	58	25%	0.253	30%	0.3	S	S	.	.			trans	-73.6	149.2	-168.2	33.3	-36.6	0	0	0	112.3	P149 T190 N195 A199	P149-P193 HydrophobicContact CB-CB 4.25Å; P149-P193 CarbonylContact O-C 2.85Å; P149-P193 WeakPolarHBondContact O-CA 3.48Å; P149-P193 WeakPolarHBondContact O-CB 3.4Å; T190-P193 WeakPolarHBondContact O-CD 3.48Å; P193-N195 VanDerWaalsContact C-N 3.33Å; P193-A199 HydrophobicContact CB-CB 3.63Å; P193-A199 HydrophobicContact CG-CB 3.52Å
194	L	97.8	Very high	97.6	Very high	65 Å²	65	58.9 Å²	58.9	34%	0.34	31%	0.308	S	S	.	.	S	Bend	trans	-74.6	-27.5	167.3	-68.6	-173.4	0	0	0	111.9	P149 D152 D159 P196	P149-L194 PolarHBondContact O-N 3.19Å; D152-L194 HydrophobicContact CB-CD1 4.22Å; D159-L194 HydrophobicContact CB-CD1 3.59Å; D159-L194 HydrophobicContact CB-CG 3.94Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å
195	N	98.3	Very high	97.6	Very high	6 Å²	6	62 Å²	62	3%	0.032	33%	0.325	C	S	.	.			trans	-116.4	92.1	173	-175.4	-15.6	0	0	0	110.1	H148 P149 V151 P193 E197 A198 A199	H148-N195 WeakPolarHBondContact O-CB 3.33Å; P149-N195 PolarHBondContact O-N 3.35Å; V151-N195 WeakPolarHBondContact O-CB 3.44Å; P193-N195 VanDerWaalsContact C-N 3.33Å; N195-E197 VanDerWaalsContact C-N 3.3Å; N195-E197 PolarHBondContact O-N 3.2Å; N195-E197 WeakPolarHBondContact OD1-CB 3.18Å; N195-E197 PolarHBondContact OD1-N 3.09Å; N195-A198 HydrophobicContact CB-CB 4.02Å; N195-A198 VanDerWaalsContact CG-CB 3.5Å; N195-A198 PolarHBondContact O-N 3.23Å; N195-A198 PolarHBondContact OD1-N 3.05Å; N195-A199 PolarHBondContact O-N 2.67Å; N195-A199 VanDerWaalsContact O-N 3.12Å
196	P	98.2	Very high	97.6	Very high	78 Å²	78	64.9 Å²	64.9	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-33.5	178.6	-24.4	34.3	0	0	0	113.7	L194 A199 V200	L194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-A199 PolarHBondContact O-N 3.32Å; P196-V200 WeakPolarHBondContact O-CB 3.48Å; P196-V200 VanDerWaalsContact O-CG2 3.26Å; P196-V200 WeakPolarHBondContact O-CG2 3.26Å; P196-V200 PolarHBondContact O-N 3.05Å
197	E	98.3	Very high	97.7	Very high	96 Å²	96	67.4 Å²	67.4	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-60.5	-51.4	176.2	-176.7	-167.5	171.8	0	0	109.9	F147 N195 A199 V200 L201 K212	F147-E197 HydrophobicContact CE2-CG 4.34Å; F147-E197 HydrophobicContact CZ-CG 4.3Å; N195-E197 VanDerWaalsContact C-N 3.3Å; N195-E197 PolarHBondContact O-N 3.2Å; N195-E197 WeakPolarHBondContact OD1-CB 3.18Å; N195-E197 PolarHBondContact OD1-N 3.09Å; E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 3.45Å; E197-V200 PolarHBondContact O-N 3.4Å; E197-L201 HydrophobicContact CG-CD1 4.18Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.46Å; E197-L201 VanDerWaalsContact O-CG 3.31Å; E197-L201 WeakPolarHBondContact O-CG 3.4Å; E197-L201 PolarHBondContact O-N 3.37Å; E197-K212 IonicContact OE1-NZ 2.82Å; E197-K212 PolarHBondContact OE1-NZ 2.81Å
198	A	98.4	Very high	97.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-39.7	179.1	0	0	0	0	0	112.3	F147 P149 N195 Y202 F209	F147-A198 HydrophobicContact CD1-CB 4.22Å; F147-A198 HydrophobicContact CE1-CB 3.71Å; F147-A198 HydrophobicContact CE2-CB 4.06Å; F147-A198 VanDerWaalsContact CZ-CA 3.49Å; F147-A198 HydrophobicContact CZ-CB 3.62Å; P149-A198 HydrophobicContact CG-CB 4.02Å; N195-A198 HydrophobicContact CB-CB 4.02Å; N195-A198 VanDerWaalsContact CG-CB 3.5Å; N195-A198 PolarHBondContact O-N 3.23Å; N195-A198 PolarHBondContact OD1-N 3.05Å; A198-Y202 WeakPolarHBondContact O-CB 3.32Å; A198-Y202 PolarHBondContact O-N 3.39Å; A198-F209 HydrophobicContact CB-CE2 4.2Å; A198-F209 VanDerWaalsContact O-CD2 3.3Å; A198-F209 WeakPolarHBondContact O-CD2 3.43Å; A198-F209 WeakPolarHBondContact O-CE2 3.3Å
199	A	98.4	Very high	97.8	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-48.3	177.5	0	0	0	0	0	112.4	P149 T190 P193 N195 P196 E197 L201 Y202 E203	P149-A199 HydrophobicContact CB-CB 4.16Å; T190-A199 HydrophobicContact CG2-CB 4.08Å; P193-A199 HydrophobicContact CB-CB 3.63Å; P193-A199 HydrophobicContact CG-CB 3.52Å; N195-A199 PolarHBondContact O-N 2.67Å; N195-A199 VanDerWaalsContact O-N 3.12Å; P196-A199 PolarHBondContact O-N 3.32Å; E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 3.45Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.33Å; A199-Y202 PolarHBondContact O-N 2.96Å; A199-E203 WeakPolarHBondContact O-CG 3.41Å; A199-E203 PolarHBondContact O-N 3.24Å
200	V	98.4	Very high	97.9	Very high	68 Å²	68	64.4 Å²	64.4	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-43.3	178.9	169.9	0	0	0	0	110.9	P196 E197 E203 K204	P196-V200 WeakPolarHBondContact O-CB 3.48Å; P196-V200 VanDerWaalsContact O-CG2 3.26Å; P196-V200 WeakPolarHBondContact O-CG2 3.26Å; P196-V200 PolarHBondContact O-N 3.05Å; E197-V200 PolarHBondContact O-N 3.4Å; V200-E203 PolarHBondContact O-N 2.88Å; V200-K204 HydrophobicContact CG1-CD 4.08Å; V200-K204 WeakPolarHBondContact O-CB 3.33Å; V200-K204 PolarHBondContact O-N 2.85Å
201	L	98.4	Very high	97.9	Very high	22 Å²	22	66 Å²	66	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-42.6	176	-68	-175.8	0	0	0	111.4	F147 E197 A199 E203 D205 I206 L208 F209 K212	F147-L201 HydrophobicContact CE1-CD1 4.43Å; F147-L201 HydrophobicContact CZ-CD1 3.96Å; E197-L201 HydrophobicContact CG-CD1 4.18Å; E197-L201 HydrophobicContact CG-CG 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.46Å; E197-L201 VanDerWaalsContact O-CG 3.31Å; E197-L201 WeakPolarHBondContact O-CG 3.4Å; E197-L201 PolarHBondContact O-N 3.37Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.33Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 2.96Å; L201-D205 HydrophobicContact CD2-CB 4.29Å; L201-D205 CarbonylContact O-C 3.6Å; L201-D205 WeakPolarHBondContact O-CA 3.45Å; L201-D205 PolarHBondContact O-N 3.05Å; L201-I206 PolarHBondContact O-N 2.89Å; L201-L208 HydrophobicContact CD1-CD2 4.31Å; L201-L208 HydrophobicContact CD1-CG 4.06Å; L201-L208 HydrophobicContact CD2-CB 4.32Å; L201-L208 HydrophobicContact CD2-CD2 3.67Å; L201-L208 HydrophobicContact CD2-CG 4.07Å; L201-F209 HydrophobicContact CB-CB 3.95Å; L201-F209 HydrophobicContact CB-CD2 4.19Å; L201-K212 HydrophobicContact CD1-CG 4.18Å
202	Y	98.3	Very high	98	Very high	79 Å²	79	67.1 Å²	67.1	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-38.9	177.7	-175.8	-102	0	0	0	112.8	L116 I188 T190 A198 A199 I206 F209	L116-Y202 HydrophobicContact CD1-CD2 4.46Å; L116-Y202 HydrophobicContact CD1-CE2 3.83Å; I188-Y202 HydrophobicContact CB-CE1 4.18Å; I188-Y202 HydrophobicContact CB-CE2 4.15Å; I188-Y202 HydrophobicContact CD1-CD2 3.8Å; I188-Y202 HydrophobicContact CD1-CE2 3.44Å; I188-Y202 VanDerWaalsContact CD1-CE2 3.44Å; I188-Y202 HydrophobicContact CG1-CE2 4.38Å; I188-Y202 HydrophobicContact CG2-CD1 3.94Å; I188-Y202 HydrophobicContact CG2-CD2 4.17Å; I188-Y202 HydrophobicContact CG2-CE1 3.91Å; I188-Y202 HydrophobicContact CG2-CE2 4.18Å; I188-Y202 HydrophobicContact CG2-CG 4.05Å; T190-Y202 HydrophobicContact CG2-CD1 3.56Å; T190-Y202 HydrophobicContact CG2-CE1 4.36Å; T190-Y202 HydrophobicContact CG2-CG 4.23Å; A198-Y202 WeakPolarHBondContact O-CB 3.32Å; A198-Y202 PolarHBondContact O-N 3.39Å; A199-Y202 PolarHBondContact O-N 2.96Å; Y202-I206 HydrophobicContact CD2-CD1 3.63Å; Y202-I206 HydrophobicContact CE2-CD1 3.8Å; Y202-I206 HydrophobicContact CG-CD1 4.5Å; Y202-F209 AromaticContact CD2-CD1 3.89Å; Y202-F209 HydrophobicContact CD2-CD1 3.89Å; Y202-F209 HydrophobicContact CD2-CD2 4.43Å; Y202-F209 AromaticContact CD2-CE1 3.74Å; Y202-F209 HydrophobicContact CD2-CE1 3.74Å; Y202-F209 HydrophobicContact CD2-CE2 4.28Å; Y202-F209 HydrophobicContact CD2-CG 4.24Å; Y202-F209 AromaticContact CD2-CZ 3.93Å; Y202-F209 HydrophobicContact CD2-CZ 3.93Å; Y202-F209 HydrophobicContact CE2-CE1 4.43Å
203	E	97.9	Very high	98.1	Very high	119 Å²	119	62.1 Å²	62.1	56%	0.556	31%	0.313	S	S	*	.	H	α-helix	trans	-81.2	-38.7	-178.8	-69.1	177.4	176.9	0	0	113.9	T190 A199 V200 L201	T190-E203 WeakPolarHBondContact CB-OE1 3.38Å; T190-E203 HydrophobicContact CG2-CG 4.18Å; T190-E203 PolarHBondContact OG1-OE1 3.15Å; A199-E203 WeakPolarHBondContact O-CG 3.41Å; A199-E203 PolarHBondContact O-N 3.24Å; V200-E203 PolarHBondContact O-N 2.88Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 2.96Å
204	K	97.9	Very high	98.2	Very high	168 Å²	168	63.7 Å²	63.7	73%	0.73	32%	0.321	S	S	*	.	H	α-helix	trans	-108.2	-27.5	-169.6	-58	-172.2	-174.4	176.1	0	114.4	V200	V200-K204 HydrophobicContact CG1-CD 4.08Å; V200-K204 WeakPolarHBondContact O-CB 3.33Å; V200-K204 PolarHBondContact O-N 2.85Å
205	D	97.9	Very high	98.1	Very high	69 Å²	69	64.1 Å²	64.1	37%	0.369	32%	0.324	S	S	.	.			trans	-145.9	76	-177.6	-171.3	-12.6	0	0	0	111.6	L201 Q207 L208 F209	L201-D205 HydrophobicContact CD2-CB 4.29Å; L201-D205 CarbonylContact O-C 3.6Å; L201-D205 WeakPolarHBondContact O-CA 3.45Å; L201-D205 PolarHBondContact O-N 3.05Å; D205-Q207 PolarHBondContact O-N 3.19Å; D205-Q207 VanDerWaalsContact O-N 3.13Å; D205-Q207 PolarHBondContact OD1-N 2.98Å; D205-L208 HydrophobicContact CB-CB 4.22Å; D205-L208 VanDerWaalsContact CG-CB 3.41Å; D205-L208 PolarHBondContact O-N 2.93Å; D205-L208 PolarHBondContact OD1-N 3.14Å; D205-L208 VanDerWaalsContact OD2-CB 3.29Å; D205-L208 WeakPolarHBondContact OD2-CB 3.05Å; D205-F209 PolarHBondContact O-N 3.38Å
206	I	97.6	Very high	98.1	Very high	63 Å²	63	64.6 Å²	64.6	32%	0.323	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-22.7	-177.5	-167.5	58.1	0	0	0	113	L201 Y202 F209 K210	L201-I206 PolarHBondContact O-N 2.89Å; Y202-I206 HydrophobicContact CD2-CD1 3.63Å; Y202-I206 HydrophobicContact CE2-CD1 3.8Å; Y202-I206 HydrophobicContact CG-CD1 4.5Å; I206-F209 HydrophobicContact CD1-CB 4.39Å; I206-F209 HydrophobicContact CD1-CD1 4.03Å; I206-F209 HydrophobicContact CD1-CG 4.46Å; I206-K210 WeakPolarHBondContact O-CB 3.42Å; I206-K210 VanDerWaalsContact O-CG 3.25Å; I206-K210 WeakPolarHBondContact O-CG 3.35Å; I206-K210 PolarHBondContact O-N 2.93Å
207	Q	98.1	Very high	98.1	Very high	128 Å²	128	61.8 Å²	61.8	60%	0.598	31%	0.309	S	S	*	.	H	α-helix	trans	-76.3	-45.7	179.3	-60.8	-59.7	-20.4	0	0	110.6	D205 F209 K210 S211	D205-Q207 PolarHBondContact O-N 3.19Å; D205-Q207 VanDerWaalsContact O-N 3.13Å; D205-Q207 PolarHBondContact OD1-N 2.98Å; Q207-F209 VanDerWaalsContact C-N 3.32Å; Q207-F209 PolarHBondContact O-N 3.07Å; Q207-K210 WeakPolarHBondContact O-CB 3.41Å; Q207-K210 PolarHBondContact O-N 3.12Å; Q207-S211 PolarHBondContact O-N 2.77Å
208	L	98.1	Very high	98	Very high	75 Å²	75	63.1 Å²	63.1	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-38.1	173.8	-174.9	55	0	0	0	111.5	L201 D205 K210 S211 K212	L201-L208 HydrophobicContact CD1-CD2 4.31Å; L201-L208 HydrophobicContact CD1-CG 4.06Å; L201-L208 HydrophobicContact CD2-CB 4.32Å; L201-L208 HydrophobicContact CD2-CD2 3.67Å; L201-L208 HydrophobicContact CD2-CG 4.07Å; D205-L208 HydrophobicContact CB-CB 4.22Å; D205-L208 VanDerWaalsContact CG-CB 3.41Å; D205-L208 PolarHBondContact O-N 2.93Å; D205-L208 PolarHBondContact OD1-N 3.14Å; D205-L208 VanDerWaalsContact OD2-CB 3.29Å; D205-L208 WeakPolarHBondContact OD2-CB 3.05Å; L208-K210 PolarHBondContact O-N 2.57Å; L208-S211 PolarHBondContact O-N 3Å; L208-K212 WeakPolarHBondContact O-CG 3.48Å; L208-K212 PolarHBondContact O-N 3.09Å
209	F	98.6	Very high	97.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-49.8	171	-178.7	-93.4	0	0	0	111.7	L116 Y117 F147 P149 I188 A198 L201 Y202 D205 I206 Q207 S211 K212 V213	L116-F209 HydrophobicContact CD1-CD1 4.46Å; L116-F209 HydrophobicContact CD1-CE1 3.94Å; Y117-F209 WeakPolarHBondContact OH-CZ 3.37Å; F147-F209 HydrophobicContact CD1-CE2 4.41Å; F147-F209 AromaticContact CE1-CD2 3.9Å; F147-F209 HydrophobicContact CE1-CD2 3.9Å; F147-F209 HydrophobicContact CE1-CE2 4.06Å; P149-F209 HydrophobicContact CG-CE2 4.42Å; I188-F209 HydrophobicContact CD1-CE1 3.98Å; I188-F209 HydrophobicContact CD1-CZ 3.92Å; A198-F209 HydrophobicContact CB-CE2 4.2Å; A198-F209 VanDerWaalsContact O-CD2 3.3Å; A198-F209 WeakPolarHBondContact O-CD2 3.43Å; A198-F209 WeakPolarHBondContact O-CE2 3.3Å; L201-F209 HydrophobicContact CB-CB 3.95Å; L201-F209 HydrophobicContact CB-CD2 4.19Å; Y202-F209 AromaticContact CD2-CD1 3.89Å; Y202-F209 HydrophobicContact CD2-CD1 3.89Å; Y202-F209 HydrophobicContact CD2-CD2 4.43Å; Y202-F209 AromaticContact CD2-CE1 3.74Å; Y202-F209 HydrophobicContact CD2-CE1 3.74Å; Y202-F209 HydrophobicContact CD2-CE2 4.28Å; Y202-F209 HydrophobicContact CD2-CG 4.24Å; Y202-F209 AromaticContact CD2-CZ 3.93Å; Y202-F209 HydrophobicContact CD2-CZ 3.93Å; Y202-F209 HydrophobicContact CE2-CE1 4.43Å; D205-F209 PolarHBondContact O-N 3.38Å; I206-F209 HydrophobicContact CD1-CB 4.39Å; I206-F209 HydrophobicContact CD1-CD1 4.03Å; I206-F209 HydrophobicContact CD1-CG 4.46Å; Q207-F209 VanDerWaalsContact C-N 3.32Å; Q207-F209 PolarHBondContact O-N 3.07Å; F209-S211 VanDerWaalsContact C-N 3.34Å; F209-S211 PolarHBondContact O-N 3.13Å; F209-K212 PolarHBondContact O-N 3.45Å; F209-V213 HydrophobicContact CD1-CG2 3.96Å; F209-V213 HydrophobicContact CE1-CG2 3.5Å; F209-V213 HydrophobicContact CE2-CG2 4.32Å; F209-V213 HydrophobicContact CZ-CG2 3.72Å; F209-V213 WeakPolarHBondContact O-CG2 3.49Å; F209-V213 PolarHBondContact O-N 2.77Å
210	K	98.1	Very high	97.7	Very high	87 Å²	87	67 Å²	67	38%	0.378	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-44.7	176.9	-79.3	170	-179.8	178.4	0	112	L116 I206 Q207 L208 K212 V213 V214	L116-K210 HydrophobicContact CD2-CD 4.2Å; L116-K210 HydrophobicContact CD2-CG 3.57Å; I206-K210 WeakPolarHBondContact O-CB 3.42Å; I206-K210 VanDerWaalsContact O-CG 3.25Å; I206-K210 WeakPolarHBondContact O-CG 3.35Å; I206-K210 PolarHBondContact O-N 2.93Å; Q207-K210 WeakPolarHBondContact O-CB 3.41Å; Q207-K210 PolarHBondContact O-N 3.12Å; L208-K210 PolarHBondContact O-N 2.57Å; K210-K212 PolarHBondContact O-N 2.93Å; K210-V213 PolarHBondContact O-N 3.29Å; K210-V214 WeakPolarHBondContact O-CG2 3.09Å; K210-V214 PolarHBondContact O-N 3.29Å
211	S	98.2	Very high	97.5	Very high	61 Å²	61	66.6 Å²	66.6	43%	0.427	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-48.2	177.2	-167.8	0	0	0	0	111.5	Q207 L208 F209 V213 V214 D215	Q207-S211 PolarHBondContact O-N 2.77Å; L208-S211 PolarHBondContact O-N 3Å; F209-S211 VanDerWaalsContact C-N 3.34Å; F209-S211 PolarHBondContact O-N 3.13Å; S211-V213 VanDerWaalsContact C-N 3.35Å; S211-V213 PolarHBondContact O-N 3.13Å; S211-V214 PolarHBondContact O-N 3.12Å; S211-D215 PolarHBondContact O-N 3.36Å
212	K	98.3	Very high	97.3	Very high	77 Å²	77	69.3 Å²	69.3	34%	0.335	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-39.4	178.6	-70.6	-81.9	-176.9	134.2	0	112.5	F147 E197 L201 L208 F209 K210 D215 S216	F147-K212 HydrophobicContact CD1-CB 3.56Å; F147-K212 HydrophobicContact CE1-CB 3.46Å; F147-K212 VanDerWaalsContact CE1-CB 3.46Å; F147-K212 HydrophobicContact CE1-CG 4.17Å; F147-K212 HydrophobicContact CE2-CB 4.43Å; F147-K212 HydrophobicContact CG-CB 4.1Å; F147-K212 HydrophobicContact CZ-CB 3.93Å; F147-K212 HydrophobicContact CZ-CG 4.19Å; E197-K212 IonicContact OE1-NZ 2.82Å; E197-K212 PolarHBondContact OE1-NZ 2.81Å; L201-K212 HydrophobicContact CD1-CG 4.18Å; L208-K212 WeakPolarHBondContact O-CG 3.48Å; L208-K212 PolarHBondContact O-N 3.09Å; F209-K212 PolarHBondContact O-N 3.45Å; K210-K212 PolarHBondContact O-N 2.93Å; K212-D215 PolarHBondContact O-N 2.99Å; K212-S216 WeakPolarHBondContact O-CB 3.26Å; K212-S216 PolarHBondContact O-N 3.36Å
213	V	98.3	Very high	97	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-45.1	174.4	170.1	0	0	0	0	111.3	L116 Y117 F147 F209 K210 S211 D215 S216 V217	L116-V213 WeakPolarHBondContact O-CG1 3.09Å; Y117-V213 HydrophobicContact CD1-CG1 3.46Å; Y117-V213 VanDerWaalsContact CD1-CG1 3.46Å; Y117-V213 HydrophobicContact CD1-CG2 4.48Å; Y117-V213 HydrophobicContact CD2-CG1 4.42Å; Y117-V213 HydrophobicContact CE1-CB 4.29Å; Y117-V213 HydrophobicContact CE1-CG1 3.6Å; Y117-V213 HydrophobicContact CE1-CG2 3.77Å; Y117-V213 HydrophobicContact CE2-CG2 4.47Å; Y117-V213 HydrophobicContact CG-CG1 3.89Å; F147-V213 HydrophobicContact CD1-CG2 4.16Å; F209-V213 HydrophobicContact CD1-CG2 3.96Å; F209-V213 HydrophobicContact CE1-CG2 3.5Å; F209-V213 HydrophobicContact CE2-CG2 4.32Å; F209-V213 HydrophobicContact CZ-CG2 3.72Å; F209-V213 WeakPolarHBondContact O-CG2 3.49Å; F209-V213 PolarHBondContact O-N 2.77Å; K210-V213 PolarHBondContact O-N 3.29Å; S211-V213 VanDerWaalsContact C-N 3.35Å; S211-V213 PolarHBondContact O-N 3.13Å; V213-D215 VanDerWaalsContact C-N 3.3Å; V213-D215 PolarHBondContact O-N 3.21Å; V213-S216 WeakPolarHBondContact O-CB 3.3Å; V213-S216 PolarHBondContact O-N 3.19Å; V213-V217 HydrophobicContact CG1-CG2 4.4Å; V213-V217 WeakPolarHBondContact O-CG2 3.4Å; V213-V217 PolarHBondContact O-N 2.9Å
214	V	97.7	Very high	96.8	Very high	72 Å²	72	66.8 Å²	66.8	44%	0.436	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-43.6	176.8	167.2	0	0	0	0	111	K210 S211 V217 K218	K210-V214 WeakPolarHBondContact O-CG2 3.09Å; K210-V214 PolarHBondContact O-N 3.29Å; S211-V214 PolarHBondContact O-N 3.12Å; V214-V217 PolarHBondContact O-N 2.97Å; V214-K218 HydrophobicContact CG1-CD 4.3Å; V214-K218 WeakPolarHBondContact O-CG 3.48Å; V214-K218 PolarHBondContact O-N 2.86Å
215	D	97.7	Very high	96.5	Very high	74 Å²	74	63.9 Å²	63.9	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-40.1	177.5	-65.6	-25.6	0	0	0	111.8	S211 K212 V213 V217 K218 V219	S211-D215 PolarHBondContact O-N 3.36Å; K212-D215 PolarHBondContact O-N 2.99Å; V213-D215 VanDerWaalsContact C-N 3.3Å; V213-D215 PolarHBondContact O-N 3.21Å; D215-V217 PolarHBondContact O-N 3.47Å; D215-K218 PolarHBondContact O-N 3.1Å; D215-K218 IonicContact OD1-NZ 3.4Å; D215-K218 PolarHBondContact OD1-NZ 3.43Å; D215-V219 WeakPolarHBondContact O-CG2 3.25Å; D215-V219 PolarHBondContact O-N 3.35Å
216	S	97.7	Very high	96.3	Very high	15 Å²	15	63.5 Å²	63.5	11%	0.105	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-43.6	173.7	-176.6	0	0	0	0	112.5	F147 K212 V213 V219 C220	F147-S216 PolarHBondContact N-OG 3.13Å; K212-S216 WeakPolarHBondContact O-CB 3.26Å; K212-S216 PolarHBondContact O-N 3.36Å; V213-S216 WeakPolarHBondContact O-CB 3.3Å; V213-S216 PolarHBondContact O-N 3.19Å; S216-V219 PolarHBondContact O-N 3.32Å; S216-C220 PolarHBondContact O-N 2.54Å; S216-C220 PolarHBondContact O-SG 3.17Å
217	V	97.5	Very high	96	Very high	19 Å²	19	69.1 Å²	69.1	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-45	175.1	169.7	0	0	0	0	110.8	F122 V213 V214 D215 V219 C220 T221	F122-V217 HydrophobicContact CE1-CG2 4.42Å; F122-V217 HydrophobicContact CZ-CG2 4Å; V213-V217 HydrophobicContact CG1-CG2 4.4Å; V213-V217 WeakPolarHBondContact O-CG2 3.4Å; V213-V217 PolarHBondContact O-N 2.9Å; V214-V217 PolarHBondContact O-N 2.97Å; D215-V217 PolarHBondContact O-N 3.47Å; V217-V219 VanDerWaalsContact C-N 3.35Å; V217-V219 PolarHBondContact O-N 2.92Å; V217-C220 PolarHBondContact O-N 2.79Å; V217-T221 WeakPolarHBondContact O-CB 3.29Å; V217-T221 PolarHBondContact O-N 2.79Å; V217-T221 PolarHBondContact O-OG1 3.4Å; V217-T221 VanDerWaalsContact O-OG1 3.07Å
218	K	96.8	Very high	95.6	Very high	124 Å²	124	65.1 Å²	65.1	54%	0.539	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-44.3	176.6	-73.3	171.1	-172.4	162.6	0	112.1	V214 D215 T221 A222	V214-K218 HydrophobicContact CG1-CD 4.3Å; V214-K218 WeakPolarHBondContact O-CG 3.48Å; V214-K218 PolarHBondContact O-N 2.86Å; D215-K218 PolarHBondContact O-N 3.1Å; D215-K218 IonicContact OD1-NZ 3.4Å; D215-K218 PolarHBondContact OD1-NZ 3.43Å; K218-T221 PolarHBondContact O-N 2.82Å; K218-A222 VanDerWaalsContact O-CB 3.32Å; K218-A222 WeakPolarHBondContact O-CB 3.19Å; K218-A222 PolarHBondContact O-N 3.02Å
219	V	96.1	Very high	95.1	Very high	78 Å²	78	68.8 Å²	68.8	47%	0.473	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177.7	173.1	0	0	0	0	110.9	I144 D215 S216 V217 R223	I144-V219 HydrophobicContact CG2-CG1 4.06Å; D215-V219 WeakPolarHBondContact O-CG2 3.25Å; D215-V219 PolarHBondContact O-N 3.35Å; S216-V219 PolarHBondContact O-N 3.32Å; V217-V219 VanDerWaalsContact C-N 3.35Å; V217-V219 PolarHBondContact O-N 2.92Å; V219-R223 WeakPolarHBondContact O-CG 3.44Å; V219-R223 PolarHBondContact O-N 3.15Å
220	C	95.1	Very high	94.7	Very high	7 Å²	7	71.5 Å²	71.5	5%	0.047	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-44.6	177.4	-64.9	0	0	0	0	111.8	F122 S216 V217 R223 L224	F122-C220 HydrophobicContact CD1-CB 4.09Å; F122-C220 HydrophobicContact CE1-CB 4.14Å; S216-C220 PolarHBondContact O-N 2.54Å; S216-C220 PolarHBondContact O-SG 3.17Å; V217-C220 PolarHBondContact O-N 2.79Å; C220-R223 CarbonylContact O-C 3.54Å; C220-R223 PolarHBondContact O-N 2.96Å; C220-L224 PolarHBondContact O-N 3.23Å
221	T	92.5	Very high	94.4	Very high	61 Å²	61	75.4 Å²	75.4	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-40.6	179.7	-61.7	0	0	0	0	112.5	V217 K218 R223 L224	V217-T221 WeakPolarHBondContact O-CB 3.29Å; V217-T221 PolarHBondContact O-N 2.79Å; V217-T221 PolarHBondContact O-OG1 3.4Å; V217-T221 VanDerWaalsContact O-OG1 3.07Å; K218-T221 PolarHBondContact O-N 2.82Å; T221-R223 PolarHBondContact O-N 2.85Å; T221-L224 WeakPolarHBondContact O-CB 3.49Å; T221-L224 PolarHBondContact O-N 3.46Å; T221-L224 VanDerWaalsContact O-N 3.14Å
222	A	94.2	Very high	94.2	Very high	79 Å²	79	73 Å²	73	65%	0.653	37%	0.371	S	S	*	.	H	α-helix	trans	-61	-29.6	178	0	0	0	0	0	112.6	K218	K218-A222 VanDerWaalsContact O-CB 3.32Å; K218-A222 WeakPolarHBondContact O-CB 3.19Å; K218-A222 PolarHBondContact O-N 3.02Å
223	R	93.4	Very high	94	Very high	124 Å²	124	73 Å²	73	47%	0.468	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	12	-179.4	-60.6	-167.4	71.8	170	7.2	113.3	I144 V219 C220 T221 F225 D226	I144-R223 HydrophobicContact CD1-CB 3.5Å; I144-R223 HydrophobicContact CD1-CG 4.17Å; V219-R223 WeakPolarHBondContact O-CG 3.44Å; V219-R223 PolarHBondContact O-N 3.15Å; C220-R223 CarbonylContact O-C 3.54Å; C220-R223 PolarHBondContact O-N 2.96Å; T221-R223 PolarHBondContact O-N 2.85Å; R223-F225 VanDerWaalsContact C-N 3.26Å; R223-F225 PolarHBondContact O-N 3.45Å; R223-D226 IonicContact CZ-OD2 3.37Å; R223-D226 IonicContact NE-OD2 2.79Å; R223-D226 PolarHBondContact NE-OD2 2.93Å; R223-D226 IonicContact NH2-OD2 3.05Å; R223-D226 PolarHBondContact NH2-OD2 2.97Å; R223-D226 WeakPolarHBondContact O-CB 3.49Å; R223-D226 PolarHBondContact O-N 3.41Å
224	L	92.2	Very high	93.8	Very high	20 Å²	20	77.7 Å²	77.7	11%	0.105	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-39.4	-177	-176.2	62.2	0	0	0	111.8	V121 K123 C220 T221 F238	V121-L224 HydrophobicContact CB-CD1 4.11Å; V121-L224 HydrophobicContact CG1-CD1 3.59Å; K123-L224 PolarHBondContact NZ-O 3.01Å; C220-L224 PolarHBondContact O-N 3.23Å; T221-L224 WeakPolarHBondContact O-CB 3.49Å; T221-L224 PolarHBondContact O-N 3.46Å; T221-L224 VanDerWaalsContact O-N 3.14Å; L224-F238 HydrophobicContact CD1-CD2 3.33Å; L224-F238 HydrophobicContact CD1-CE2 3.51Å; L224-F238 HydrophobicContact CD1-CG 3.88Å; L224-F238 HydrophobicContact CD1-CZ 4.19Å; L224-F238 HydrophobicContact CD2-CG 4.35Å; L224-F238 HydrophobicContact CG-CB 4.05Å; L224-F238 HydrophobicContact CG-CD2 3.78Å; L224-F238 HydrophobicContact CG-CE2 4.4Å; L224-F238 HydrophobicContact CG-CG 3.87Å
225	F	92.8	Very high	93.7	Very high	108 Å²	108	74.8 Å²	74.8	47%	0.474	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.5	-178.1	-53.6	-73.4	0	0	0	113.8	R223 F238 P240	R223-F225 VanDerWaalsContact C-N 3.26Å; R223-F225 PolarHBondContact O-N 3.45Å; F225-F238 HydrophobicContact CD1-CB 3.92Å; F225-F238 HydrophobicContact CE1-CB 4.06Å; F225-P240 HydrophobicContact CD1-CG 4.28Å; F225-P240 HydrophobicContact CE1-CG 4.29Å
226	D	93.4	Very high	93.5	Very high	61 Å²	61	72.7 Å²	72.7	33%	0.326	37%	0.369	S	S	.	.	S	Bend	trans	-60.1	144.4	171.4	-72.4	7.7	0	0	0	109.3	R223	R223-D226 IonicContact CZ-OD2 3.37Å; R223-D226 IonicContact NE-OD2 2.79Å; R223-D226 PolarHBondContact NE-OD2 2.93Å; R223-D226 IonicContact NH2-OD2 3.05Å; R223-D226 PolarHBondContact NH2-OD2 2.97Å; R223-D226 WeakPolarHBondContact O-CB 3.49Å; R223-D226 PolarHBondContact O-N 3.41Å
227	Q	90.8	Very high	93.3	Very high	180 Å²	180	75.7 Å²	75.7	84%	0.841	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.5	146	172.7	-67.5	-172.5	10.9	0	0	110.5	K229	Q227-K229 PolarHBondContact O-N 3.05Å
228	P	90.3	Very high	93	Very high	44 Å²	44	77.3 Å²	77.3	29%	0.286	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-55.7	140.1	175.8	-23.9	33.8	0	0	0	111.7	I230 A235	P228-I230 PolarHBondContact O-N 3.03Å; P228-A235 HydrophobicContact CB-CB 3.6Å; P228-A235 HydrophobicContact CG-CB 3.81Å
229	K	87.2	Confident	92.8	Very high	153 Å²	153	74.9 Å²	74.9	67%	0.665	39%	0.394	S	S	*	.	S	Bend	trans	-64.7	-25.5	177.8	-61.2	-176	-175.4	-178.4	0	113	D143 Q227	D143-K229 WeakPolarHBondContact O-CE 3.46Å; D143-K229 PolarHBondContact O-NZ 3.34Å; Q227-K229 PolarHBondContact O-N 3.05Å
230	I	90.2	Very high	92.5	Very high	56 Å²	56	75.5 Å²	75.5	29%	0.287	40%	0.399	S	S	.	.	S	Bend	trans	-111.2	123.6	-177.3	-60.9	172	0	0	0	107.3	M105 F107 P228 D232	M105-I230 HydrophobicContact CE-CD1 4.35Å; M105-I230 HydrophobicContact SD-CD1 3.77Å; F107-I230 HydrophobicContact CE1-CB 4.38Å; F107-I230 HydrophobicContact CE1-CD1 4.12Å; F107-I230 HydrophobicContact CZ-CB 4.44Å; F107-I230 HydrophobicContact CZ-CG2 4.25Å; P228-I230 PolarHBondContact O-N 3.03Å; I230-D232 HydrophobicContact CG2-CB 4.21Å; I230-D232 PolarHBondContact O-N 3.16Å
231	E	92.4	Very high	92.3	Very high	169 Å²	169	82.1 Å²	82.1	79%	0.79	42%	0.423	S	S	*	.			trans	-72.8	76	176.8	-65.9	-176.8	-179.2	0	0	111	R101	R101-E231 VanDerWaalsContact CZ-O 3.22Å; R101-E231 PolarHBondContact NE-O 2.82Å; R101-E231 PolarHBondContact NH2-O 2.91Å
232	D	94.3	Very high	92.3	Very high	12 Å²	12	82.5 Å²	82.5	6%	0.064	42%	0.423	C	S	.	.			trans	-124.8	130.6	177.2	-171.8	-67.8	0	0	0	109.9	S99 Y100 R101 F107 I230 Y234 A235	S99-D232 PolarHBondContact OG-OD2 3.04Å; Y100-D232 VanDerWaalsContact CB-OD1 3.3Å; Y100-D232 WeakPolarHBondContact CB-OD1 3.37Å; Y100-D232 PolarHBondContact N-OD1 2.67Å; Y100-D232 PolarHBondContact N-OD2 3.28Å; Y100-D232 VanDerWaalsContact N-OD2 3.14Å; R101-D232 WeakPolarHBondContact CB-OD2 3.37Å; R101-D232 WeakPolarHBondContact CG-OD2 3.39Å; R101-D232 PolarHBondContact N-OD2 3.21Å; F107-D232 HydrophobicContact CE2-CB 3.74Å; F107-D232 HydrophobicContact CZ-CB 3.75Å; I230-D232 HydrophobicContact CG2-CB 4.21Å; I230-D232 PolarHBondContact O-N 3.16Å; D232-Y234 PolarHBondContact O-N 3.38Å; D232-Y234 VanDerWaalsContact O-N 3.08Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.39Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.43Å; D232-Y234 PolarHBondContact OD1-N 3.19Å; D232-A235 HydrophobicContact CB-CB 4.24Å; D232-A235 VanDerWaalsContact O-CB 3.24Å; D232-A235 WeakPolarHBondContact O-CB 3.39Å; D232-A235 PolarHBondContact O-N 2.79Å
233	P	94.1	Very high	92.2	Very high	75 Å²	75	81.8 Å²	81.8	49%	0.487	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.5	178.5	-27	34.5	0	0	0	114.8	Y100	Y100-P233 HydrophobicContact CD1-CG 4.03Å; Y100-P233 HydrophobicContact CG-CG 4.23Å
234	Y	94.2	Very high	92.1	Very high	100 Å²	100	81 Å²	81	39%	0.392	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	4.6	179.8	-68.3	-3.6	0	0	0	113	Q97 P98 Y100 F107 D232	Q97-Y234 VanDerWaalsContact NE2-CB 3.33Å; Q97-Y234 PolarHBondContact NE2-O 3.47Å; Q97-Y234 VanDerWaalsContact NE2-O 3.13Å; P98-Y234 WeakPolarHBondContact O-CD2 3.32Å; Y100-Y234 HydrophobicContact CD2-CD2 4.4Å; Y100-Y234 HydrophobicContact CD2-CE1 4.19Å; Y100-Y234 AromaticContact CD2-CE2 3.89Å; Y100-Y234 HydrophobicContact CD2-CE2 3.89Å; Y100-Y234 AromaticContact CD2-CZ 3.78Å; Y100-Y234 HydrophobicContact CG-CE2 4.47Å; F107-Y234 WeakPolarHBondContact CD2-O 3.27Å; D232-Y234 PolarHBondContact O-N 3.38Å; D232-Y234 VanDerWaalsContact O-N 3.08Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.39Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.43Å; D232-Y234 PolarHBondContact OD1-N 3.19Å
235	A	94.8	Very high	92	Very high	11 Å²	11	84.4 Å²	84.4	9%	0.091	45%	0.447	C	S	.	.	S	Bend	trans	-63.6	135.9	172.8	0	0	0	0	0	111.3	F107 P228 D232 S237	F107-A235 HydrophobicContact CD2-CB 4.26Å; F107-A235 HydrophobicContact CE1-CB 4.41Å; F107-A235 HydrophobicContact CE2-CB 4.07Å; F107-A235 HydrophobicContact CG-CB 4.49Å; F107-A235 HydrophobicContact CZ-CB 4.15Å; P228-A235 HydrophobicContact CB-CB 3.6Å; P228-A235 HydrophobicContact CG-CB 3.81Å; D232-A235 HydrophobicContact CB-CB 4.24Å; D232-A235 VanDerWaalsContact O-CB 3.24Å; D232-A235 WeakPolarHBondContact O-CB 3.39Å; D232-A235 PolarHBondContact O-N 2.79Å; A235-S237 PolarHBondContact O-N 3.48Å
236	I	93.2	Very high	92	Very high	31 Å²	31	81.1 Å²	81.1	16%	0.159	43%	0.433	C	S	.	.			trans	-72.9	120.3	-177.7	-62	176.2	0	0	0	109.5	F107 V109 F238	F107-I236 HydrophobicContact CB-CD1 4.16Å; F107-I236 HydrophobicContact CB-CG1 3.98Å; V109-I236 HydrophobicContact CG1-CD1 4.14Å; V109-I236 HydrophobicContact CG1-CG2 4.34Å; I236-F238 HydrophobicContact CG2-CE2 3.96Å; I236-F238 HydrophobicContact CG2-CZ 4.29Å
237	S	93.2	Very high	91.9	Very high	77 Å²	77	80.9 Å²	80.9	54%	0.538	43%	0.431	S	S	.	.			trans	-123	151	173.2	56.6	0	0	0	0	110.5	A235	A235-S237 PolarHBondContact O-N 3.48Å
238	F	92.8	Very high	91.8	Very high	54 Å²	54	78.1 Å²	78.1	24%	0.237	42%	0.418	C	S	.	.			trans	-113.1	143.9	174.5	-70.4	-85.7	0	0	0	109.1	V109 F111 V121 K123 L224 F225 I236	V109-F238 HydrophobicContact CB-CZ 4.44Å; V109-F238 HydrophobicContact CG1-CZ 4.23Å; V109-F238 HydrophobicContact CG2-CE2 4.23Å; V109-F238 HydrophobicContact CG2-CZ 3.95Å; F111-F238 HydrophobicContact CE1-CE1 4.41Å; F111-F238 HydrophobicContact CE1-CZ 4.47Å; F111-F238 AromaticContact CZ-CE1 3.9Å; F111-F238 HydrophobicContact CZ-CE1 3.9Å; F111-F238 AromaticContact CZ-CZ 3.84Å; F111-F238 HydrophobicContact CZ-CZ 3.84Å; V121-F238 HydrophobicContact CG1-CE2 4.44Å; V121-F238 HydrophobicContact CG1-CZ 4.19Å; K123-F238 HydrophobicContact CD-CD2 4.37Å; K123-F238 HydrophobicContact CD-CE2 4.17Å; K123-F238 HydrophobicContact CG-CE2 4.23Å; L224-F238 HydrophobicContact CD1-CD2 3.33Å; L224-F238 HydrophobicContact CD1-CE2 3.51Å; L224-F238 HydrophobicContact CD1-CG 3.88Å; L224-F238 HydrophobicContact CD1-CZ 4.19Å; L224-F238 HydrophobicContact CD2-CG 4.35Å; L224-F238 HydrophobicContact CG-CB 4.05Å; L224-F238 HydrophobicContact CG-CD2 3.78Å; L224-F238 HydrophobicContact CG-CE2 4.4Å; L224-F238 HydrophobicContact CG-CG 3.87Å; F225-F238 HydrophobicContact CD1-CB 3.92Å; F225-F238 HydrophobicContact CE1-CB 4.06Å; I236-F238 HydrophobicContact CG2-CE2 3.96Å; I236-F238 HydrophobicContact CG2-CZ 4.29Å
239	S	91.4	Very high	91.7	Very high	73 Å²	73	77.7 Å²	77.7	51%	0.51	42%	0.419	S	S	.	.			trans	-120	147.7	170.1	52.6	0	0	0	0	109.8
240	P	91.1	Very high	91.7	Very high	91 Å²	91	75.3 Å²	75.3	59%	0.591	41%	0.406	S	S	*	.			trans	-53.1	150.4	169	-25.3	34.9	0	0	0	110.8	F225 N242 H246	F225-P240 HydrophobicContact CD1-CG 4.28Å; F225-P240 HydrophobicContact CE1-CG 4.29Å; P240-N242 PolarHBondContact O-N 3.24Å; P240-N242 VanDerWaalsContact O-N 3.12Å; P240-H246 PolarHBondContact O-CE1 3.2Å
241	W	89.5	Confident	91.7	Very high	145 Å²	145	78.6 Å²	78.6	55%	0.549	42%	0.42	S	S	.	.			trans	-58.4	120	179.1	179.5	-95.2	0	0	0	111	H246 D247 R250	W241-H246 HydrophobicContact CD2-CB 4.24Å; W241-H246 AromaticContact CD2-ND1 3.76Å; W241-H246 HydrophobicContact CE3-CB 3.82Å; W241-H246 AromaticContact CE3-CG 3.97Å; W241-H246 AromaticContact CE3-ND1 3.45Å; W241-H246 HydrophobicContact CH2-CB 3.34Å; W241-H246 HydrophobicContact CZ2-CB 3.82Å; W241-H246 HydrophobicContact CZ3-CB 3.36Å; W241-H246 AromaticContact CZ3-CG 3.94Å; W241-H246 AromaticContact CZ3-ND1 3.9Å; W241-D247 WeakPolarHBondContact CZ2-OD1 3.37Å; W241-R250 HydrophobicContact CH2-CB 4.1Å; W241-R250 HydrophobicContact CH2-CG 4.41Å
242	N	92.1	Very high	91.5	Very high	69 Å²	69	75.6 Å²	75.6	37%	0.369	40%	0.404	S	S	.	.			trans	-120.3	108.8	172	-175.5	-7.9	0	0	0	109.6	P240 S244 V245 H246	P240-N242 PolarHBondContact O-N 3.24Å; P240-N242 VanDerWaalsContact O-N 3.12Å; N242-S244 PolarHBondContact ND2-OG 2.95Å; N242-S244 PolarHBondContact O-N 2.91Å; N242-S244 PolarHBondContact OD1-N 3.26Å; N242-S244 VanDerWaalsContact OD1-N 3.11Å; N242-S244 PolarHBondContact OD1-OG 3.42Å; N242-V245 HydrophobicContact CB-CB 4.35Å; N242-V245 HydrophobicContact CB-CG2 4.28Å; N242-V245 PolarHBondContact O-N 3.18Å; N242-H246 PolarHBondContact N-CE1 3.25Å; N242-H246 VanDerWaalsContact N-CE1 3.28Å; N242-H246 PolarHBondContact N-ND1 3.24Å; N242-H246 WeakPolarHBondContact O-CB 3.38Å; N242-H246 PolarHBondContact O-N 3.15Å; N242-H246 PolarHBondContact O-ND1 3.33Å
243	P	92.5	Very high	91	Very high	65 Å²	65	80.6 Å²	80.6	42%	0.422	43%	0.429	S	S	.	.	H	α-helix	trans	-48.3	-42.7	177.3	-29.3	36.1	0	0	0	113.3	V245 H246 D247	P243-V245 PolarHBondContact O-N 3.38Å; P243-V245 VanDerWaalsContact O-N 3.15Å; P243-H246 PolarHBondContact O-N 3.01Å; P243-D247 WeakPolarHBondContact CA-OD2 3.3Å; P243-D247 VanDerWaalsContact CB-OD2 3.24Å; P243-D247 WeakPolarHBondContact CB-OD2 3.43Å; P243-D247 WeakPolarHBondContact O-CB 3.46Å; P243-D247 VanDerWaalsContact O-CG 3.26Å; P243-D247 PolarHBondContact O-N 2.97Å
244	S	92.8	Very high	90.6	Very high	107 Å²	107	79.5 Å²	79.5	75%	0.748	42%	0.419	S	S	*	.	H	α-helix	trans	-66.5	-21.6	-176.6	75.6	0	0	0	0	114.2	N242	N242-S244 PolarHBondContact ND2-OG 2.95Å; N242-S244 PolarHBondContact O-N 2.91Å; N242-S244 PolarHBondContact OD1-N 3.26Å; N242-S244 VanDerWaalsContact OD1-N 3.11Å; N242-S244 PolarHBondContact OD1-OG 3.42Å
245	V	89.6	Confident	90.1	Very high	91 Å²	91	79.7 Å²	79.7	55%	0.552	43%	0.43	S	S	*	.	H	α-helix	trans	-101.9	-36.5	179.5	-178.1	0	0	0	0	110.7	N242 P243	N242-V245 HydrophobicContact CB-CB 4.35Å; N242-V245 HydrophobicContact CB-CG2 4.28Å; N242-V245 PolarHBondContact O-N 3.18Å; P243-V245 PolarHBondContact O-N 3.38Å; P243-V245 VanDerWaalsContact O-N 3.15Å
246	H	92.1	Very high	88.6	Confident	40 Å²	40	86.5 Å²	86.5	19%	0.185	46%	0.46	C	S	.	.	H	α-helix	trans	-102	-21.3	-167.5	-53.1	149.9	0	0	0	114.5	P240 W241 N242 P243 E248 A249 R250	P240-H246 PolarHBondContact O-CE1 3.2Å; W241-H246 HydrophobicContact CD2-CB 4.24Å; W241-H246 AromaticContact CD2-ND1 3.76Å; W241-H246 HydrophobicContact CE3-CB 3.82Å; W241-H246 AromaticContact CE3-CG 3.97Å; W241-H246 AromaticContact CE3-ND1 3.45Å; W241-H246 HydrophobicContact CH2-CB 3.34Å; W241-H246 HydrophobicContact CZ2-CB 3.82Å; W241-H246 HydrophobicContact CZ3-CB 3.36Å; W241-H246 AromaticContact CZ3-CG 3.94Å; W241-H246 AromaticContact CZ3-ND1 3.9Å; N242-H246 PolarHBondContact N-CE1 3.25Å; N242-H246 VanDerWaalsContact N-CE1 3.28Å; N242-H246 PolarHBondContact N-ND1 3.24Å; N242-H246 WeakPolarHBondContact O-CB 3.38Å; N242-H246 PolarHBondContact O-N 3.15Å; N242-H246 PolarHBondContact O-ND1 3.33Å; P243-H246 PolarHBondContact O-N 3.01Å; H246-E248 PolarHBondContact O-N 2.72Å; H246-A249 PolarHBondContact O-N 3.3Å; H246-R250 WeakPolarHBondContact O-CB 3.49Å; H246-R250 PolarHBondContact O-N 2.95Å
247	D	90.8	Very high	86.8	Confident	55 Å²	55	92.9 Å²	92.9	29%	0.294	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-42.1	-176.1	-78.8	-22.8	0	0	0	111.9	W241 P243 A249 R250 E251	W241-D247 WeakPolarHBondContact CZ2-OD1 3.37Å; P243-D247 WeakPolarHBondContact CA-OD2 3.3Å; P243-D247 VanDerWaalsContact CB-OD2 3.24Å; P243-D247 WeakPolarHBondContact CB-OD2 3.43Å; P243-D247 WeakPolarHBondContact O-CB 3.46Å; P243-D247 VanDerWaalsContact O-CG 3.26Å; P243-D247 PolarHBondContact O-N 2.97Å; D247-A249 VanDerWaalsContact C-N 3.32Å; D247-A249 PolarHBondContact O-N 2.93Å; D247-R250 WeakPolarHBondContact O-CB 3.39Å; D247-R250 PolarHBondContact O-N 3.49Å; D247-R250 VanDerWaalsContact O-N 3.12Å; D247-E251 WeakPolarHBondContact O-CB 3.35Å; D247-E251 WeakPolarHBondContact O-CG 3.47Å; D247-E251 PolarHBondContact O-N 3.45Å
248	E	90.1	Very high	84.7	Confident	122 Å²	122	98.3 Å²	98.3	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-57.7	-45.8	177.4	-174.1	-169.1	164.2	0	0	111.5	H246 K252	H246-E248 PolarHBondContact O-N 2.72Å; E248-K252 HydrophobicContact CG-CD 4.47Å; E248-K252 WeakPolarHBondContact O-CG 3.5Å; E248-K252 PolarHBondContact O-N 3.3Å; E248-K252 VanDerWaalsContact OE1-CE 3.27Å; E248-K252 WeakPolarHBondContact OE1-CE 3.28Å; E248-K252 IonicContact OE1-NZ 2.59Å; E248-K252 PolarHBondContact OE1-NZ 3.4Å
249	A	87.9	Confident	82.8	Confident	36 Å²	36	101.1 Å²	101.1	30%	0.298	52%	0.524	S	S	.	.	H	α-helix	trans	-64.9	-42.5	177.5	0	0	0	0	0	111.3	W5 H246 D247 K252 M253	W5-A249 HydrophobicContact CZ3-CB 4.12Å; H246-A249 PolarHBondContact O-N 3.3Å; D247-A249 VanDerWaalsContact C-N 3.32Å; D247-A249 PolarHBondContact O-N 2.93Å; A249-K252 PolarHBondContact O-N 2.99Å; A249-M253 VanDerWaalsContact O-CG 3.27Å; A249-M253 WeakPolarHBondContact O-CG 3.49Å; A249-M253 PolarHBondContact O-N 3.06Å
250	R	87.5	Confident	80.7	Confident	102 Å²	102	106.4 Å²	106.4	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-62.4	-44.9	177.8	-179	-175.9	177.5	-156.5	0.7	112	W241 H246 D247 M253 L254	W241-R250 HydrophobicContact CH2-CB 4.1Å; W241-R250 HydrophobicContact CH2-CG 4.41Å; H246-R250 WeakPolarHBondContact O-CB 3.49Å; H246-R250 PolarHBondContact O-N 2.95Å; D247-R250 WeakPolarHBondContact O-CB 3.39Å; D247-R250 PolarHBondContact O-N 3.49Å; D247-R250 VanDerWaalsContact O-N 3.12Å; R250-M253 WeakPolarHBondContact O-CB 3.45Å; R250-M253 PolarHBondContact O-N 3.34Å; R250-L254 HydrophobicContact CG-CD1 4.1Å; R250-L254 WeakPolarHBondContact O-CG 3.49Å; R250-L254 PolarHBondContact O-N 3Å
251	E	89.4	Confident	78.2	Confident	126 Å²	126	111.2 Å²	111.2	59%	0.589	56%	0.555	S	S	*	*	H	α-helix	trans	-63.5	-43.8	177.4	-74.3	-177	167.4	0	0	111.5	D247 M253 L254 T255	D247-E251 WeakPolarHBondContact O-CB 3.35Å; D247-E251 WeakPolarHBondContact O-CG 3.47Å; D247-E251 PolarHBondContact O-N 3.45Å; E251-M253 VanDerWaalsContact C-N 3.3Å; E251-M253 PolarHBondContact O-N 2.89Å; E251-L254 PolarHBondContact O-N 3.28Å; E251-L254 VanDerWaalsContact O-N 3.16Å; E251-T255 WeakPolarHBondContact O-CB 3.36Å; E251-T255 VanDerWaalsContact O-CG2 3.3Å; E251-T255 WeakPolarHBondContact O-CG2 3.49Å; E251-T255 PolarHBondContact O-N 2.98Å; E251-T255 PolarHBondContact O-OG1 3.4Å
252	K	88.7	Confident	75.8	Confident	105 Å²	105	113.3 Å²	113.3	46%	0.457	57%	0.571	S	S	.	*	H	α-helix	trans	-58.3	-41.8	173.8	-74.3	175.6	-175.1	173.8	0	112	E248 A249 L254 T255 Q256	E248-K252 HydrophobicContact CG-CD 4.47Å; E248-K252 WeakPolarHBondContact O-CG 3.5Å; E248-K252 PolarHBondContact O-N 3.3Å; E248-K252 VanDerWaalsContact OE1-CE 3.27Å; E248-K252 WeakPolarHBondContact OE1-CE 3.28Å; E248-K252 IonicContact OE1-NZ 2.59Å; E248-K252 PolarHBondContact OE1-NZ 3.4Å; A249-K252 PolarHBondContact O-N 2.99Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 PolarHBondContact O-N 3.5Å; K252-T255 WeakPolarHBondContact CA-OG1 3.48Å; K252-T255 PolarHBondContact O-N 3.38Å; K252-T255 PolarHBondContact O-OG1 3.08Å; K252-Q256 WeakPolarHBondContact O-CB 3.37Å; K252-Q256 VanDerWaalsContact O-CG 3.28Å; K252-Q256 WeakPolarHBondContact O-CG 3.49Å; K252-Q256 PolarHBondContact O-N 2.97Å
253	M	83.7	Confident	73	Confident	117 Å²	117	117.7 Å²	117.7	58%	0.576	59%	0.589	S	S	*	*	H	α-helix	trans	-65.7	-35.5	176.8	-70	174.5	76.2	0	0	113	W5 A249 R250 E251	W5-M253 HydrophobicContact CH2-CE 4.32Å; W5-M253 HydrophobicContact CH2-CG 4.27Å; W5-M253 HydrophobicContact CH2-SD 3.41Å; W5-M253 WeakPolarHBondContact CH2-SD 3.31Å; W5-M253 HydrophobicContact CZ2-CE 4.01Å; W5-M253 HydrophobicContact CZ2-CG 4.45Å; W5-M253 HydrophobicContact CZ2-SD 3.69Å; A249-M253 VanDerWaalsContact O-CG 3.27Å; A249-M253 WeakPolarHBondContact O-CG 3.49Å; A249-M253 PolarHBondContact O-N 3.06Å; R250-M253 WeakPolarHBondContact O-CB 3.45Å; R250-M253 PolarHBondContact O-N 3.34Å; E251-M253 VanDerWaalsContact C-N 3.3Å; E251-M253 PolarHBondContact O-N 2.89Å
254	L	84.7	Confident	70.3	Confident	53 Å²	53	121.5 Å²	121.5	28%	0.277	61%	0.606	S	S	.	*	H	α-helix	trans	-77	-31.8	179.4	-71.7	167.5	0	0	0	112.5	R250 E251 K252	R250-L254 HydrophobicContact CG-CD1 4.1Å; R250-L254 WeakPolarHBondContact O-CG 3.49Å; R250-L254 PolarHBondContact O-N 3Å; E251-L254 PolarHBondContact O-N 3.28Å; E251-L254 VanDerWaalsContact O-N 3.16Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 PolarHBondContact O-N 3.5Å
255	T	83.5	Confident	67.5	Low	103 Å²	103	125.6 Å²	125.6	63%	0.632	61%	0.61	S	S	*	*	H	α-helix	trans	-85.7	-29.1	-174.9	50.7	0	0	0	0	114.6	E251 K252 K257	E251-T255 WeakPolarHBondContact O-CB 3.36Å; E251-T255 VanDerWaalsContact O-CG2 3.3Å; E251-T255 WeakPolarHBondContact O-CG2 3.49Å; E251-T255 PolarHBondContact O-N 2.98Å; E251-T255 PolarHBondContact O-OG1 3.4Å; K252-T255 WeakPolarHBondContact CA-OG1 3.48Å; K252-T255 PolarHBondContact O-N 3.38Å; K252-T255 PolarHBondContact O-OG1 3.08Å; T255-K257 PolarHBondContact O-N 2.94Å
256	Q	63.9	Low	65	Low	154 Å²	154	126.2 Å²	126.2	72%	0.72	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	18.2	-177	-78.2	-178	-2.1	0	0	115.8	K252	K252-Q256 WeakPolarHBondContact O-CB 3.37Å; K252-Q256 VanDerWaalsContact O-CG 3.28Å; K252-Q256 WeakPolarHBondContact O-CG 3.49Å; K252-Q256 PolarHBondContact O-N 2.97Å
257	K	56.3	Low	62.4	Low	165 Å²	165	130.9 Å²	130.9	72%	0.717	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	14.3	-175.7	-106.7	-174.5	178.7	-178.1	0	115.9	T255 P259	T255-K257 PolarHBondContact O-N 2.94Å; K257-P259 WeakPolarHBondContact O-CD 3.43Å
258	K	49.3	Very low	60	Low	192 Å²	192	136.1 Å²	136.1	84%	0.835	67%	0.672	S	S	*	*			trans	-91.3	111	166.9	-75.7	-174.6	178.4	-179.9	0	109.5	E260	K258-E260 PolarHBondContact O-N 3.11Å
259	P	51.7	Low	57.7	Low	112 Å²	112	136.6 Å²	136.6	73%	0.727	68%	0.683	S	S	*	*			trans	-66.6	120	165.2	-4.8	21.7	0	0	0	107	K257 E261	K257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-E261 PolarHBondContact O-N 3.01Å
260	E	47.4	Very low	55.7	Low	184 Å²	184	139.4 Å²	139.4	86%	0.86	71%	0.706	S	S	*	*			trans	-58	121.9	162.3	-71.9	179.4	161.7	0	0	107.8	K258 Q262	K258-E260 PolarHBondContact O-N 3.11Å; E260-Q262 PolarHBondContact O-N 3.13Å
261	E	38.3	Very low	53.8	Low	193 Å²	193	138 Å²	138	90%	0.902	72%	0.723	S	S	*	*			trans	-61.2	90.4	179.1	-68.7	175.8	150.7	0	0	110.3	P259 H263	P259-E261 PolarHBondContact O-N 3.01Å; E261-H263 PolarHBondContact O-N 3.38Å
262	Q	40.3	Very low	52.1	Low	189 Å²	189	138.9 Å²	138.9	88%	0.883	73%	0.731	S	S	*	*			trans	-82.2	93.9	158.2	-80.6	-175.4	-2.4	0	0	108.8	E260 N264	E260-Q262 PolarHBondContact O-N 3.13Å; Q262-N264 PolarHBondContact O-N 3.45Å; Q262-N264 VanDerWaalsContact O-N 3.13Å
263	H	33.1	Very low	50.6	Low	160 Å²	160	137.4 Å²	137.4	74%	0.741	73%	0.734	S	S	*	*			trans	-21.2	101.9	159.2	-162.5	88.5	0	0	0	114	E261	E261-H263 PolarHBondContact O-N 3.38Å
264	N	36	Very low	49.8	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	74%	0.736	S	S	*	*			trans	-165.9	135	140.2	-100.4	-24.8	0	0	0	112.4	Q262 S266	Q262-N264 PolarHBondContact O-N 3.45Å; Q262-N264 VanDerWaalsContact O-N 3.13Å; N264-S266 PolarHBondContact O-N 2.62Å
265	K	33.7	Very low	48.8	Very low	193 Å²	193	139.2 Å²	139.2	84%	0.839	74%	0.736	S	S	*	*			trans	-62.3	114.7	-168	-60.6	165.3	177.6	175.4	0	112.1
266	S	37.4	Very low	48.2	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	72%	0.721	S	S	*	*			trans	-168.2	139.3	143.8	56.2	0	0	0	0	111.1	N264 H268	N264-S266 PolarHBondContact O-N 2.62Å; S266-H268 PolarHBondContact O-N 3.09Å
267	V	37.4	Very low	48.4	Very low	139 Å²	139	135.7 Å²	135.7	84%	0.842	72%	0.721	S	S	*	*			trans	-73.7	97.4	-172.9	176.4	0	0	0	0	109.8
268	H	40.5	Very low	49	Very low	165 Å²	165	130.4 Å²	130.4	76%	0.764	71%	0.713	S	S	*	*			trans	-147.2	101.3	167.6	-81.8	-70.5	0	0	0	112.3	S266	S266-H268 PolarHBondContact O-N 3.09Å
269	V	41.7	Very low	49.9	Very low	131 Å²	131	122.8 Å²	122.8	79%	0.794	68%	0.684	S	S	*	*			trans	35.5	93.7	148	-166.5	0	0	0	0	116	G271	V269-G271 PolarHBondContact O-N 2.98Å; V269-G271 VanDerWaalsContact O-N 3.09Å
270	A	45.4	Very low	50.7	Low	95 Å²	95	122.2 Å²	122.2	79%	0.785	68%	0.678	S	S	*	*			trans	-54.8	114.7	163.6	0	0	0	0	0	109.5	L272	A270-L272 PolarHBondContact O-N 2.98Å; A270-L272 VanDerWaalsContact O-N 3.15Å
271	G	46.8	Very low	51.7	Low	72 Å²	72	120 Å²	120	74%	0.742	67%	0.667	S	S	*	*			trans	-60	116.8	-176.3	0	0	0	0	0	111.6	V269 S273	V269-G271 PolarHBondContact O-N 2.98Å; V269-G271 VanDerWaalsContact O-N 3.09Å; G271-S273 PolarHBondContact O-N 3.44Å
272	L	54.3	Low	53.1	Low	146 Å²	146	114.8 Å²	114.8	76%	0.764	65%	0.651	S	S	*	*			trans	-63.8	93.5	169.9	-73.3	153.7	0	0	0	108.9	A270 W274	A270-L272 PolarHBondContact O-N 2.98Å; A270-L272 VanDerWaalsContact O-N 3.15Å; L272-W274 PolarHBondContact O-N 2.59Å
273	S	57.7	Low	54.6	Low	73 Å²	73	112.9 Å²	112.9	51%	0.51	64%	0.64	S	S	.	*			trans	-69.1	116.2	164.5	179.2	0	0	0	0	107.7	G271 V275	G271-S273 PolarHBondContact O-N 3.44Å; S273-V275 PolarHBondContact O-N 2.79Å; S273-V275 PolarHBondContact OG-N 2.96Å; S273-V275 PolarHBondContact OG-O 3.06Å
274	W	65.7	Low	56.3	Low	163 Å²	163	106.4 Å²	106.4	62%	0.617	61%	0.612	S	S	*	*	S	Bend	trans	-71.2	16.1	171	-63.8	102.4	0	0	0	112.6	L272 F283 S284	L272-W274 PolarHBondContact O-N 2.59Å; W274-F283 HydrophobicContact CB-CD1 4.1Å; W274-F283 HydrophobicContact CB-CE1 4.36Å; W274-F283 HydrophobicContact CD2-CD1 4.24Å; W274-F283 HydrophobicContact CD2-CE1 4.35Å; W274-F283 AromaticContact CE3-CD1 3.97Å; W274-F283 HydrophobicContact CE3-CD1 3.97Å; W274-F283 HydrophobicContact CE3-CE1 4.45Å; W274-F283 HydrophobicContact CG-CD1 4.32Å; W274-F283 HydrophobicContact CG-CE1 4.32Å; W274-F283 CarbonylContact O-C 3.52Å; W274-F283 WeakPolarHBondContact O-CA 3.39Å; W274-F283 PolarHBondContact O-N 3.23Å; W274-S284 PolarHBondContact O-N 3.19Å
275	V	65.3	Low	57.4	Low	45 Å²	45	107.3 Å²	107.3	27%	0.273	61%	0.609	S	S	.	*	S	Bend	trans	-135.3	125.1	-178.8	-176.1	0	0	0	0	107.7	S273 S279	S273-V275 PolarHBondContact O-N 2.79Å; S273-V275 PolarHBondContact OG-N 2.96Å; S273-V275 PolarHBondContact OG-O 3.06Å; V275-S279 WeakPolarHBondContact CG1-O 3.13Å
276	K	70.8	Confident	58.8	Low	76 Å²	76	104.1 Å²	104.1	33%	0.33	60%	0.597	S	S	.	*			trans	-51.8	138.1	172.4	-111.5	173.5	158.6	154.3	0	110	G278 S279 S284 K285 E286	K276-G278 PolarHBondContact O-N 2.9Å; K276-S279 WeakPolarHBondContact O-CB 3.42Å; K276-S279 PolarHBondContact O-N 3.41Å; K276-S284 PolarHBondContact N-O 2.87Å; K276-S284 PolarHBondContact N-OG 3.37Å; K276-K285 WeakPolarHBondContact CD-O 3.43Å; K276-K285 WeakPolarHBondContact CE-O 3.29Å; K276-K285 PolarHBondContact NZ-O 3.34Å; K276-E286 HydrophobicContact CD-CG 4.36Å; K276-E286 VanDerWaalsContact CE-CA 3.49Å; K276-E286 HydrophobicContact CG-CG 3.77Å
277	P	67.2	Low	59.8	Low	108 Å²	108	107.6 Å²	107.6	70%	0.701	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	128.8	167.4	-24.8	34.6	0	0	0	110.6	S279 E286	P277-S279 VanDerWaalsContact C-N 3.32Å; P277-S279 PolarHBondContact O-N 3.29Å; P277-E286 WeakPolarHBondContact CD-OE1 3.06Å
278	G	69.5	Low	60.7	Low	54 Å²	54	109.8 Å²	109.8	56%	0.557	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.3	-6.8	-176.5	0	0	0	0	0	116	K276	K276-G278 PolarHBondContact O-N 2.9Å
279	S	67.7	Low	61.1	Low	32 Å²	32	108.5 Å²	108.5	22%	0.224	60%	0.604	C	S	.	*			trans	-95.2	151.8	175.6	-176.6	0	0	0	0	111.9	V275 K276 P277 Q281 S284	V275-S279 WeakPolarHBondContact CG1-O 3.13Å; K276-S279 WeakPolarHBondContact O-CB 3.42Å; K276-S279 PolarHBondContact O-N 3.41Å; P277-S279 VanDerWaalsContact C-N 3.32Å; P277-S279 PolarHBondContact O-N 3.29Å; S279-Q281 WeakPolarHBondContact OG-CB 3.23Å; S279-Q281 PolarHBondContact OG-N 3.41Å; S279-S284 WeakPolarHBondContact CB-OG 3.27Å; S279-S284 PolarHBondContact OG-OG 3.27Å
280	V	68.9	Low	61.1	Low	100 Å²	100	108.2 Å²	108.2	61%	0.606	60%	0.602	S	S	*	*			trans	-105.7	-0.4	166.3	-66.2	0	0	0	0	112.2	P282	V280-P282 WeakPolarHBondContact O-CD 3.37Å
281	Q	68.7	Low	61	Low	136 Å²	136	108.3 Å²	108.3	64%	0.636	60%	0.604	S	S	*	*	S	Bend	trans	-86.2	118.1	-176.1	-167.6	170.3	-2.9	0	0	110.7	S279 S284	S279-Q281 WeakPolarHBondContact OG-CB 3.23Å; S279-Q281 PolarHBondContact OG-N 3.41Å; Q281-S284 WeakPolarHBondContact O-CB 3.18Å; Q281-S284 PolarHBondContact O-N 3.03Å; Q281-S284 PolarHBondContact O-OG 3.02Å
282	P	68.1	Low	61	Low	85 Å²	85	114.6 Å²	114.6	55%	0.552	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	139.3	170.9	-22.3	34	0	0	0	111	V280 S284	V280-P282 WeakPolarHBondContact O-CD 3.37Å; P282-S284 PolarHBondContact O-N 2.97Å
283	F	70.3	Confident	61.3	Low	149 Å²	149	113.1 Å²	113.1	65%	0.654	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.1	21.3	-179.1	-46.4	-74.8	0	0	0	116.6	W274 K285	W274-F283 HydrophobicContact CB-CD1 4.1Å; W274-F283 HydrophobicContact CB-CE1 4.36Å; W274-F283 HydrophobicContact CD2-CD1 4.24Å; W274-F283 HydrophobicContact CD2-CE1 4.35Å; W274-F283 AromaticContact CE3-CD1 3.97Å; W274-F283 HydrophobicContact CE3-CD1 3.97Å; W274-F283 HydrophobicContact CE3-CE1 4.45Å; W274-F283 HydrophobicContact CG-CD1 4.32Å; W274-F283 HydrophobicContact CG-CE1 4.32Å; W274-F283 CarbonylContact O-C 3.52Å; W274-F283 WeakPolarHBondContact O-CA 3.39Å; W274-F283 PolarHBondContact O-N 3.23Å; F283-K285 PolarHBondContact O-N 3.02Å
284	S	68.7	Low	61.5	Low	23 Å²	23	115.2 Å²	115.2	16%	0.161	63%	0.627	C	S	.	*			trans	-71	113.9	173.7	44.4	0	0	0	0	111.1	W274 K276 S279 Q281 P282	W274-S284 PolarHBondContact O-N 3.19Å; K276-S284 PolarHBondContact N-O 2.87Å; K276-S284 PolarHBondContact N-OG 3.37Å; S279-S284 WeakPolarHBondContact CB-OG 3.27Å; S279-S284 PolarHBondContact OG-OG 3.27Å; Q281-S284 WeakPolarHBondContact O-CB 3.18Å; Q281-S284 PolarHBondContact O-N 3.03Å; Q281-S284 PolarHBondContact O-OG 3.02Å; P282-S284 PolarHBondContact O-N 2.97Å
285	K	59.5	Low	61.3	Low	165 Å²	165	112.5 Å²	112.5	72%	0.717	63%	0.627	S	S	*	*			trans	-92.5	144.6	179.6	-69.4	-177.6	179.3	177.7	0	111.8	K276 F283 E287	K276-K285 WeakPolarHBondContact CD-O 3.43Å; K276-K285 WeakPolarHBondContact CE-O 3.29Å; K276-K285 PolarHBondContact NZ-O 3.34Å; F283-K285 PolarHBondContact O-N 3.02Å; K285-E287 PolarHBondContact O-N 3.24Å
286	E	62.6	Low	61	Low	126 Å²	126	116.5 Å²	116.5	59%	0.589	65%	0.648	S	S	*	*			trans	-72.4	116.1	161.3	-72.7	176.4	-177	0	0	109.4	K276 P277 K288	K276-E286 HydrophobicContact CD-CG 4.36Å; K276-E286 VanDerWaalsContact CE-CA 3.49Å; K276-E286 HydrophobicContact CG-CG 3.77Å; P277-E286 WeakPolarHBondContact CD-OE1 3.06Å; E286-K288 PolarHBondContact O-N 3.42Å; E286-K288 VanDerWaalsContact O-N 3.1Å
287	E	58.3	Low	60.4	Low	177 Å²	177	119 Å²	119	83%	0.827	67%	0.668	S	S	*	*			trans	-65.5	106.7	163.1	-91.1	177.3	147.7	0	0	106.7	K285 T289	K285-E287 PolarHBondContact O-N 3.24Å; E287-T289 PolarHBondContact O-N 3.42Å; E287-T289 VanDerWaalsContact O-N 3.15Å
288	K	56.5	Low	60	Low	184 Å²	184	119.7 Å²	119.7	80%	0.8	67%	0.666	S	S	*	*			trans	-74.3	98.7	163.9	-72.7	-174.8	177.3	-176.5	0	106.8	E286 V290	E286-K288 PolarHBondContact O-N 3.42Å; E286-K288 VanDerWaalsContact O-N 3.1Å; K288-V290 PolarHBondContact O-N 3.13Å
289	T	49.3	Very low	59.3	Low	138 Å²	138	124.4 Å²	124.4	85%	0.847	67%	0.674	S	S	*	*			trans	-61.4	102	159.7	16.2	0	0	0	0	107.4	E287 A291	E287-T289 PolarHBondContact O-N 3.42Å; E287-T289 VanDerWaalsContact O-N 3.15Å; T289-A291 PolarHBondContact O-N 3.05Å
290	V	41.7	Very low	58.6	Low	125 Å²	125	131.5 Å²	131.5	76%	0.758	71%	0.708	S	S	*	*			trans	-70.2	109.1	163.7	179.2	0	0	0	0	105.3	K288 T292	K288-V290 PolarHBondContact O-N 3.13Å; V290-T292 PolarHBondContact O-N 3.45Å
291	A	42.8	Very low	57.8	Low	98 Å²	98	134.2 Å²	134.2	81%	0.81	72%	0.717	S	S	*	*			trans	-68.9	115.1	167	0	0	0	0	0	107.6	T289	T289-A291 PolarHBondContact O-N 3.05Å
292	T	47	Very low	56.8	Low	204 Å²	204	134 Å²	134	100%	1.252	72%	0.724	S	S	*	*			trans	-77.7	0	167.7	-35.4	0	0	0	0	110	V290	V290-T292 PolarHBondContact O-N 3.45Å

Retrieved 292 of 292 residues in 49.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).