A0A093HN68_STRCA Loading...

Thymocyte nuclear protein 1

Specifically binds 5-hydroxymethylcytosine (5hmC), suggesting that it acts as a specific reader of 5hmC.

AlphaFold DB , UniProt , Accession A0A093HN68, Species STRCA (Struthio camelus australis), Gene n/a, Length 242 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	43.4	Very low	226 Å²	226	112.8 Å²	112.8	100%	1.113	59%	0.593	S	S	*	*				0	139.3	0	-65.3	-174.1	-178	0	0	108.2
2	P	39.3	Very low	42.4	Very low	129 Å²	129	112.2 Å²	112.2	84%	0.838	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-63.6	141	173.3	26.7	-31.3	0	0	0	110
3	W	36	Very low	41.7	Very low	133 Å²	133	114.1 Å²	114.1	50%	0.504	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-71.5	137	177.9	-64.2	85.1	0	0	0	109.3	S5 Y151 H154	W3-S5 PolarHBondContact O-N 2.57Å; W3-S5 VanDerWaalsContact O-N 3.16Å; W3-Y151 HydrophobicContact CH2-CD2 4.35Å; W3-Y151 AromaticContact CH2-CE2 3.83Å; W3-Y151 HydrophobicContact CH2-CE2 3.83Å; W3-Y151 AromaticContact CZ3-CE2 3.87Å; W3-Y151 HydrophobicContact CZ3-CE2 3.87Å; W3-H154 AromaticContact CG-CD2 3.79Å
4	P	42.8	Very low	40.9	Very low	107 Å²	107	112.5 Å²	112.5	70%	0.695	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-58.3	122.5	173	-13.1	24.9	0	0	0	107.8	F106	P4-F106 WeakPolarHBondContact O-CE1 3.34Å
5	S	44.1	Very low	40.2	Very low	93 Å²	93	115.5 Å²	115.5	65%	0.65	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-77.5	129.8	-178.3	-160.3	0	0	0	0	109.6	W3 K7	W3-S5 PolarHBondContact O-N 2.57Å; W3-S5 VanDerWaalsContact O-N 3.16Å; S5-K7 PolarHBondContact O-N 2.72Å
6	R	57.2	Low	39.7	Very low	21 Å²	21	120.8 Å²	120.8	8%	0.079	67%	0.668	C	S	.	*			trans	-57.3	110	156.6	-167.9	174.6	-177.9	-163.3	3.5	105	R8 F92 F106 D108	R6-R8 PolarHBondContact O-N 2.87Å; R6-F92 HydrophobicContact CG-CD2 3.99Å; R6-F92 HydrophobicContact CG-CE2 3.83Å; R6-F92 VanDerWaalsContact CZ-CG 3.49Å; R6-F92 VanDerWaalsContact NE-CE2 3.25Å; R6-F92 VanDerWaalsContact NE-CG 3.29Å; R6-F106 HydrophobicContact CB-CE1 4.15Å; R6-F106 HydrophobicContact CB-CE2 3.98Å; R6-F106 HydrophobicContact CB-CZ 3.5Å; R6-D108 IonicContact NH1-OD1 3.28Å; R6-D108 PolarHBondContact NH1-OD1 2.91Å
7	K	44.9	Very low	39	Very low	186 Å²	186	125.5 Å²	125.5	81%	0.809	68%	0.68	S	S	*	*			trans	-65.8	98.7	-176.3	-76.7	-172.2	178.6	-178.1	0	108	S5	S5-K7 PolarHBondContact O-N 2.72Å
8	R	57.5	Low	38.7	Very low	39 Å²	39	129.1 Å²	129.1	15%	0.147	69%	0.692	C	S	.	*			trans	-94.8	111.9	164.7	-66.6	-179.3	176.8	140.7	6.3	106.5	R6 V88 D89 D108 D161	R6-R8 PolarHBondContact O-N 2.87Å; R8-V88 HydrophobicContact CB-CG1 3.53Å; R8-V88 HydrophobicContact CG-CG1 4.27Å; R8-D89 WeakPolarHBondContact CB-O 3.39Å; R8-D89 WeakPolarHBondContact CG-O 3.42Å; R8-D108 IonicContact CZ-OD1 2.76Å; R8-D108 IonicContact CZ-OD2 3.3Å; R8-D108 IonicContact NH1-OD2 2.86Å; R8-D108 PolarHBondContact NH1-OD2 2.97Å; R8-D108 IonicContact NH2-OD1 2.72Å; R8-D108 PolarHBondContact NH2-OD1 2.88Å; R8-D108 IonicContact NH2-OD2 3.49Å; R8-D108 PolarHBondContact NH2-OD2 3.42Å; R8-D161 IonicContact NH1-OD1 3.48Å; R8-D161 IonicContact NH1-OD2 3.05Å; R8-D161 PolarHBondContact NH1-OD2 3.39Å
9	D	44.5	Very low	38.3	Very low	122 Å²	122	129.1 Å²	129.1	65%	0.652	70%	0.699	S	S	*	*			trans	-69.1	138.3	178.9	-82.6	-31.6	0	0	0	110.1	D89	D9-D89 PolarHBondContact O-N 3.11Å; D9-D89 VanDerWaalsContact O-N 3.12Å
10	K	45.1	Very low	37.9	Very low	146 Å²	146	131.1 Å²	131.1	64%	0.635	71%	0.71	S	S	*	*	B	Isolated β-bridge	trans	-85.8	109.5	169.6	-67.4	-172.2	178.2	-173.9	0	107.2	A12	K10-A12 PolarHBondContact O-N 2.78Å
11	G	35.3	Very low	37.6	Very low	39 Å²	39	129.9 Å²	129.9	40%	0.402	72%	0.718	S	S	.	*			trans	-59.6	129.6	174.1	0	0	0	0	0	110.5	V13	G11-V13 PolarHBondContact O-N 2.76Å
12	A	31.4	Very low	37.6	Very low	105 Å²	105	128.8 Å²	128.8	87%	0.868	71%	0.707	S	S	*	*			trans	-69.7	117.9	172.8	0	0	0	0	0	109.8	K10 A14	K10-A12 PolarHBondContact O-N 2.78Å; A12-A14 PolarHBondContact O-N 3.04Å
13	V	33.2	Very low	37.2	Very low	137 Å²	137	129.3 Å²	129.3	83%	0.83	71%	0.707	S	S	*	*			trans	-81.3	113.9	171.5	-179.9	0	0	0	0	108	G11	G11-V13 PolarHBondContact O-N 2.76Å
14	A	30.6	Very low	36.9	Very low	92 Å²	92	127.7 Å²	127.7	76%	0.76	72%	0.722	S	S	*	*			trans	-85	122.2	172.8	0	0	0	0	0	110	A12	A12-A14 PolarHBondContact O-N 3.04Å
15	D	31.1	Very low	36.1	Very low	157 Å²	157	131.6 Å²	131.6	84%	0.84	73%	0.729	S	S	*	*			trans	-74.9	120.3	-179.3	-149.8	-15.3	0	0	0	110.6
16	K	31.7	Very low	35.3	Very low	200 Å²	200	132.3 Å²	132.3	87%	0.87	73%	0.729	S	S	*	*			trans	-142.3	98	170.7	-78.9	-166.1	179.1	178.4	0	112.3
17	K	28.2	Very low	34	Very low	201 Å²	201	139.8 Å²	139.8	87%	0.874	77%	0.765	S	S	*	*			trans	-1.9	127.6	150.8	-67.6	178.4	174	-179.3	0	118.8
18	E	32.5	Very low	33.2	Very low	191 Å²	191	140 Å²	140	89%	0.893	77%	0.768	S	S	*	*			trans	-67.2	161.7	153.9	-75.7	179.6	141	0	0	112.6
19	P	31.6	Very low	31.5	Very low	128 Å²	128	143.9 Å²	143.9	83%	0.831	80%	0.797	S	S	*	*			trans	-127.6	144.6	142.4	34.5	-22.6	0	0	0	114.7
20	D	29.9	Very low	30.8	Very low	169 Å²	169	147.4 Å²	147.4	90%	0.904	81%	0.81	S	S	*	*			trans	-59	152.5	174.4	-74.1	-69.6	0	0	0	116.4
21	A	32.2	Very low	29.9	Very low	107 Å²	107	149.5 Å²	149.5	88%	0.884	82%	0.818	S	S	*	*			trans	-153.9	149.3	149.9	0	0	0	0	0	112.9
22	K	31.6	Very low	29.5	Very low	202 Å²	202	153.7 Å²	153.7	88%	0.878	84%	0.837	S	S	*	*			trans	-94.5	145.2	-155	-68	164.9	170.9	173.2	0	116.4
23	V	30.9	Very low	29.4	Very low	140 Å²	140	157.8 Å²	157.8	85%	0.848	84%	0.838	S	S	*	*			trans	15.4	132.1	135.5	-173.3	0	0	0	0	121.6
24	A	28.8	Very low	29.1	Very low	99 Å²	99	160.2 Å²	160.2	82%	0.818	84%	0.84	S	S	*	*			trans	-158.5	141.8	134.9	0	0	0	0	0	112.9
25	K	26.6	Very low	28.9	Very low	190 Å²	190	165.3 Å²	165.3	83%	0.826	85%	0.848	S	S	*	*			trans	-68.1	169	176.5	-90	172.3	167.5	178.1	0	112.6
26	T	26.3	Very low	28.7	Very low	107 Å²	107	166.2 Å²	166.2	66%	0.656	85%	0.847	S	S	*	*			cis	-173.3	155	40.6	-2.3	0	0	0	0	111.1
27	E	29.4	Very low	28.5	Very low	178 Å²	178	166.3 Å²	166.3	83%	0.832	85%	0.851	S	S	*	*			trans	65	139.7	148.7	-68.5	165	176.8	0	0	118.6
28	E	28	Very low	28.5	Very low	190 Å²	190	165.3 Å²	165.3	89%	0.888	85%	0.846	S	S	*	*			cis	-161.7	168.1	43.2	-153.5	171.9	-170.3	0	0	111.5
29	T	23.8	Very low	28.2	Very low	121 Å²	121	161.6 Å²	161.6	74%	0.742	84%	0.842	S	S	*	*			trans	-95.2	147.2	-164.6	-44.1	0	0	0	0	112.1
30	Q	28.8	Very low	27.9	Very low	197 Å²	197	162 Å²	162	92%	0.921	84%	0.842	S	S	*	*			trans	-165.4	142	134.7	-107.6	168.7	15.3	0	0	113.7
31	K	27.1	Very low	27.9	Very low	189 Å²	189	163.3 Å²	163.3	82%	0.822	84%	0.839	S	S	*	*			trans	-80.6	155.4	-175	-66.7	168.2	167.7	179.2	0	112.6
32	T	26.4	Very low	28.1	Very low	128 Å²	128	163.7 Å²	163.7	79%	0.785	83%	0.833	S	S	*	*				-173.3	109.1	125.4	32.6	0	0	0	0	107.2
33	E	28.7	Very low	28.2	Very low	190 Å²	190	160 Å²	160	89%	0.888	83%	0.83	S	S	*	*				80.8	121.2	96.3	-80.6	-178.2	179.2	0	0	114.6
34	E	26.7	Very low	28	Very low	188 Å²	188	158.3 Å²	158.3	88%	0.879	83%	0.831	S	S	*	*			trans	-76.2	149.9	178.3	-62.3	167.4	134.2	0	0	111.3
35	E	27.6	Very low	27.8	Very low	200 Å²	200	157.2 Å²	157.2	94%	0.935	83%	0.828	S	S	*	*			trans	-139.9	122.9	138.1	-84.3	-164.7	152.2	0	0	110.1
36	E	26.6	Very low	27.8	Very low	175 Å²	175	154.1 Å²	154.1	82%	0.818	83%	0.831	S	S	*	*			trans	-66	147.8	165.5	-67.7	-178.3	124.1	0	0	110.6
37	E	27.7	Very low	27.8	Very low	203 Å²	203	154 Å²	154	95%	0.949	83%	0.834	S	S	*	*			trans	-144.3	142.8	140.8	-123.9	-172.6	-179.4	0	0	113.7
38	K	28.5	Very low	28	Very low	179 Å²	179	155.6 Å²	155.6	78%	0.778	84%	0.839	S	S	*	*			trans	-80.9	145.8	-154.6	-90.6	161.3	170.2	159.5	0	115.2
39	S	25.8	Very low	28.1	Very low	113 Å²	113	151.8 Å²	151.8	79%	0.79	83%	0.833	S	S	*	*			trans	-50.3	133	148.8	145.2	0	0	0	0	113.3
40	T	25.8	Very low	28.4	Very low	136 Å²	136	149.4 Å²	149.4	83%	0.834	83%	0.833	S	S	*	*			trans	-145.5	129.5	146.7	51.3	0	0	0	0	112.3
41	K	28.3	Very low	28.3	Very low	197 Å²	197	152.7 Å²	152.7	86%	0.857	84%	0.837	S	S	*	*			trans	-98.5	178.9	148.6	-88.5	-177.6	175.7	176.2	0	106.8
42	P	37.6	Very low	28.5	Very low	115 Å²	115	152.6 Å²	152.6	75%	0.747	84%	0.836	S	S	*	*			cis	-132.2	-151.2	-0.4	30	-2.3	0	0	0	109.6
43	P	33.3	Very low	28.8	Very low	125 Å²	125	154.4 Å²	154.4	81%	0.812	84%	0.841	S	S	*	*			cis	-139	-178.9	5.9	41.3	-18.5	0	0	0	118.3
44	A	26.3	Very low	28.7	Very low	105 Å²	105	157 Å²	157	87%	0.868	84%	0.843	S	S	*	*			trans	-78.7	150.9	179.8	0	0	0	0	0	113.6
45	G	24.7	Very low	29	Very low	75 Å²	75	157.6 Å²	157.6	77%	0.773	84%	0.843	S	S	*	*			trans	170.8	100.3	164	0	0	0	0	0	115.9
46	S	26.8	Very low	29.3	Very low	125 Å²	125	158.1 Å²	158.1	87%	0.874	84%	0.842	S	S	*	*			trans	56.1	110	145.3	-179.8	0	0	0	0	121.1
47	S	27.2	Very low	29.6	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	84%	0.841	S	S	*	*			trans	-153.9	114.1	133.4	179.9	0	0	0	0	111.3
48	K	31.7	Very low	30	Very low	211 Å²	211	154.7 Å²	154.7	92%	0.917	84%	0.839	S	S	*	*			trans	-84.5	103.3	163.3	-77	177	175.5	172.2	0	108.1
49	S	30.9	Very low	30.4	Very low	111 Å²	111	155 Å²	155	78%	0.776	84%	0.843	S	S	*	*			trans	-173.2	124.1	153.3	52.7	0	0	0	0	109.5
50	G	31.1	Very low	30.7	Very low	71 Å²	71	155.4 Å²	155.4	73%	0.732	85%	0.846	S	S	*	*			trans	159.8	-10.9	175.6	0	0	0	0	0	116.5	K52	G50-K52 PolarHBondContact O-N 3.35Å
51	W	26.6	Very low	31.2	Very low	265 Å²	265	156 Å²	156	100%	1.004	85%	0.845	S	S	*	*			trans	-82.8	56.4	169.5	-85.2	-6.3	0	0	0	112.4
52	K	29.7	Very low	31.6	Very low	187 Å²	187	151.6 Å²	151.6	81%	0.813	84%	0.838	S	S	*	*	S	Bend	trans	-153.8	92.4	162.2	-72	-166.6	179.2	173.8	0	109.3	G50	G50-K52 PolarHBondContact O-N 3.35Å
53	N	33.8	Very low	31.9	Very low	166 Å²	166	150.3 Å²	150.3	89%	0.888	85%	0.846	S	S	*	*			trans	154.6	73.3	141.6	-79.5	-4.8	0	0	0	111.9
54	W	27	Very low	32.1	Very low	246 Å²	246	147.5 Å²	147.5	93%	0.932	84%	0.84	S	S	*	*	S	Bend	trans	-108.6	-7.6	160.5	157	-82.8	0	0	0	111.5
55	K	33	Very low	32.9	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	84%	0.844	S	S	*	*	S	Bend	trans	-100.4	22.1	-165.9	-108.2	-170.3	179.4	-176.3	0	116.6
56	K	32.2	Very low	34.1	Very low	210 Å²	210	157.4 Å²	157.4	91%	0.913	85%	0.848	S	S	*	*	S	Bend	trans	-147.7	69.5	175.5	-155.2	173	-176.3	177.6	0	112.9
57	A	33.8	Very low	35.7	Very low	98 Å²	98	156.6 Å²	156.6	81%	0.81	84%	0.843	S	S	*	*			trans	-163	66.7	159.7	0	0	0	0	0	108.7
58	K	35.4	Very low	37.8	Very low	208 Å²	208	160.8 Å²	160.8	90%	0.904	85%	0.848	S	S	*	*			trans	-157.4	67.8	163.5	-123.9	-173.4	-175.9	-175.3	0	109.6
59	E	38	Very low	39.9	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.864	83%	0.825	S	S	*	*			trans	-147.5	131.6	160.4	-114.3	170.5	-172	0	0	106.6
60	S	31.8	Very low	42.4	Very low	122 Å²	122	155.3 Å²	155.3	85%	0.853	82%	0.821	S	S	*	*			trans	79.5	135.5	-158.6	76.1	0	0	0	0	113.9
61	D	36.1	Very low	45.1	Very low	150 Å²	150	156.3 Å²	156.3	80%	0.802	80%	0.804	S	S	*	*			cis	-170.7	165.2	-8.6	177.4	26.3	0	0	0	104.2
62	S	37.3	Very low	48.1	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	77%	0.768	S	S	*	*			trans	78.1	100.8	172.7	71.6	0	0	0	0	117.5	G64	S62-G64 PolarHBondContact O-N 2.85Å
63	G	43.6	Very low	51.3	Low	88 Å²	88	137.6 Å²	137.6	91%	0.907	73%	0.734	S	S	*	*			trans	-64.9	122.4	159.4	0	0	0	0	0	110.5
64	G	36.4	Very low	54.4	Low	67 Å²	67	130 Å²	130	69%	0.691	69%	0.693	S	S	*	*			trans	-116.1	111.4	150.5	0	0	0	0	0	106.2	S62 E66	S62-G64 PolarHBondContact O-N 2.85Å; G64-E66 PolarHBondContact O-N 3.15Å
65	E	44.5	Very low	57.9	Low	201 Å²	201	118.3 Å²	118.3	94%	0.939	65%	0.649	S	S	*	*			trans	-64.9	93.2	159.8	-87	173.6	146.5	0	0	106.6	S67	E65-S67 VanDerWaalsContact C-N 3.26Å; E65-S67 PolarHBondContact O-N 2.91Å
66	E	50.1	Low	61	Low	186 Å²	186	108.8 Å²	108.8	87%	0.869	61%	0.607	S	S	*	*			trans	-56.5	102.2	156.5	-83.4	-175.9	156.5	0	0	105.9	G64 K68	G64-E66 PolarHBondContact O-N 3.15Å; E66-K68 VanDerWaalsContact C-N 3.35Å; E66-K68 PolarHBondContact O-N 3.22Å
67	S	59.3	Low	64.2	Low	109 Å²	109	100.2 Å²	100.2	76%	0.762	57%	0.57	S	S	*	*			trans	-57.7	101.7	175.9	60.8	0	0	0	0	107.3	E65 Q69	E65-S67 VanDerWaalsContact C-N 3.26Å; E65-S67 PolarHBondContact O-N 2.91Å; S67-Q69 PolarHBondContact O-N 3.12Å
68	K	72.5	Confident	67.2	Low	192 Å²	192	96 Å²	96	84%	0.835	54%	0.535	S	S	*	.			trans	-61.9	105.5	-179	-171.1	177	-176.1	179	0	107.5	E66 T70	E66-K68 VanDerWaalsContact C-N 3.35Å; E66-K68 PolarHBondContact O-N 3.22Å; K68-T70 PolarHBondContact O-N 3.16Å
69	Q	73.9	Confident	70.1	Confident	92 Å²	92	87.7 Å²	87.7	43%	0.43	50%	0.499	S	S	.	.			trans	-55	116.5	-174.5	-163.1	154.4	-13.5	0	0	109.6	S67 Y71 T226	S67-Q69 PolarHBondContact O-N 3.12Å; Q69-Y71 HydrophobicContact CG-CE1 3.95Å; Q69-T226 HydrophobicContact CG-CG2 3.69Å
70	T	83.9	Confident	73	Confident	116 Å²	116	79.9 Å²	79.9	71%	0.712	46%	0.464	S	S	*	.			trans	-87.3	123	-177.8	51.5	0	0	0	0	109.5	K68	K68-T70 PolarHBondContact O-N 3.16Å
71	Y	87.4	Confident	76	Confident	92 Å²	92	78 Å²	78	36%	0.361	44%	0.442	S	S	.	.			trans	-104.2	118.8	177.8	-55.2	-69.1	0	0	0	109.6	Q69 P224 T226	Q69-Y71 HydrophobicContact CG-CE1 3.95Å; Y71-P224 HydrophobicContact CD1-CB 3.56Å; Y71-P224 HydrophobicContact CD1-CG 4.08Å; Y71-P224 HydrophobicContact CD2-CB 3.85Å; Y71-P224 HydrophobicContact CD2-CG 4.14Å; Y71-P224 HydrophobicContact CE1-CB 4.11Å; Y71-P224 HydrophobicContact CE1-CG 4.12Å; Y71-P224 HydrophobicContact CE2-CB 4.4Å; Y71-P224 HydrophobicContact CE2-CG 4.22Å; Y71-P224 HydrophobicContact CG-CB 3.38Å; Y71-P224 HydrophobicContact CG-CG 4.07Å; Y71-T226 HydrophobicContact CD1-CG2 4.25Å; Y71-T226 HydrophobicContact CE1-CG2 4.16Å
72	C	90	Very high	78.8	Confident	38 Å²	38	74.8 Å²	74.8	26%	0.257	43%	0.431	S	S	.	.			trans	-111.9	-16.3	179.4	47.2	0	0	0	0	113	Q227	C72-Q227 PolarHBondContact SG-OE1 3.24Å
73	H	98.3	Very high	81.5	Confident	21 Å²	21	73.7 Å²	73.7	10%	0.097	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	167.2	-178.3	-59	-65.6	0	0	0	111.3	L225 Q227 F230	H73-L225 HydrophobicContact CB-CB 4.12Å; H73-L225 PolarHBondContact N-O 3.07Å; H73-L225 PolarHBondContact O-N 2.9Å; H73-Q227 PolarHBondContact NE2-NE2 2.72Å; H73-Q227 PolarHBondContact NE2-OE1 3.47Å; H73-F230 HydrophobicContact CB-CB 3.96Å; H73-F230 HydrophobicContact CB-CD2 3.52Å; H73-F230 HydrophobicContact CB-CE2 4.13Å; H73-F230 HydrophobicContact CB-CG 3.77Å; H73-F230 VanDerWaalsContact CD2-CB 3.44Å; H73-F230 WeakPolarHBondContact CD2-CB 3.41Å; H73-F230 AromaticContact CD2-CD1 3.67Å; H73-F230 AromaticContact CD2-CG 3.49Å; H73-F230 VanDerWaalsContact CD2-CG 3.49Å; H73-F230 WeakPolarHBondContact CD2-CG 3.2Å; H73-F230 AromaticContact CE1-CD1 3.8Å; H73-F230 AromaticContact CE1-CE1 3.87Å; H73-F230 AromaticContact CG-CD1 3.8Å; H73-F230 AromaticContact CG-CD2 3.63Å; H73-F230 AromaticContact CG-CG 3.46Å; H73-F230 VanDerWaalsContact CG-CG 3.46Å; H73-F230 AromaticContact ND1-CD1 3.92Å; H73-F230 AromaticContact ND1-CE1 3.92Å; H73-F230 AromaticContact ND1-CG 3.99Å; H73-F230 AromaticContact NE2-CD1 3.68Å
74	W	98.7	Very high	83.8	Confident	6 Å²	6	74.1 Å²	74.1	2%	0.023	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.1	-174	-47.9	89.6	0	0	0	112.8	L76 F118 A121 M122 Q127 A128 F129 Q223 P224	W74-L76 HydrophobicContact CB-CD1 3.78Å; W74-F118 HydrophobicContact CE3-CB 4.29Å; W74-F118 HydrophobicContact CH2-CB 4.48Å; W74-F118 HydrophobicContact CH2-CD1 4.46Å; W74-F118 HydrophobicContact CZ3-CB 3.65Å; W74-F118 AromaticContact CZ3-CD1 3.85Å; W74-F118 HydrophobicContact CZ3-CD1 3.85Å; W74-F118 HydrophobicContact CZ3-CG 4.03Å; W74-A121 HydrophobicContact CH2-CB 3.84Å; W74-A121 HydrophobicContact CZ2-CB 4.41Å; W74-M122 HydrophobicContact CB-CE 3.75Å; W74-M122 HydrophobicContact CD2-CE 3.6Å; W74-M122 HydrophobicContact CD2-CG 3.72Å; W74-M122 HydrophobicContact CE3-CE 3.86Å; W74-M122 HydrophobicContact CE3-CG 4.3Å; W74-M122 HydrophobicContact CG-CE 3.54Å; W74-M122 HydrophobicContact CG-CG 4.11Å; W74-M122 HydrophobicContact CH2-CG 4.32Å; W74-M122 HydrophobicContact CZ2-CB 4.34Å; W74-M122 HydrophobicContact CZ2-CG 3.73Å; W74-Q127 PolarHBondContact N-O 2.82Å; W74-Q127 VanDerWaalsContact N-O 3.14Å; W74-A128 HydrophobicContact CB-CB 3.69Å; W74-A128 CarbonylContact O-C 3.46Å; W74-A128 WeakPolarHBondContact O-CA 3.34Å; W74-A128 WeakPolarHBondContact O-CB 3.4Å; W74-F129 PolarHBondContact O-N 3.17Å; W74-Q223 CarbonylContact C-O 3.45Å; W74-Q223 VanDerWaalsContact CA-O 3.29Å; W74-Q223 WeakPolarHBondContact CA-O 3.41Å; W74-P224 HydrophobicContact CE3-CB 3.96Å; W74-P224 HydrophobicContact CZ3-CB 3.72Å
75	L	98.8	Very high	86.4	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.1	167	-179.6	154.4	0	0	0	108.6	K77 F129 Y131 I140 M212 L214 Q223 L225	L75-K77 HydrophobicContact CD2-CD 4.47Å; L75-K77 HydrophobicContact CD2-CG 3.68Å; L75-F129 HydrophobicContact CG-CB 4.38Å; L75-Y131 HydrophobicContact CD1-CD2 4.08Å; L75-Y131 HydrophobicContact CD1-CG 4.49Å; L75-Y131 HydrophobicContact CD2-CD2 4.39Å; L75-Y131 HydrophobicContact CD2-CG 4.06Å; L75-Y131 HydrophobicContact CG-CG 4.5Å; L75-I140 HydrophobicContact CD1-CD1 4.26Å; L75-I140 HydrophobicContact CD1-CG1 4.48Å; L75-M212 HydrophobicContact CD1-CE 4.39Å; L75-L214 HydrophobicContact CD1-CD1 4.41Å; L75-L214 HydrophobicContact CD1-CD2 4.39Å; L75-L214 HydrophobicContact CD2-CD1 4.47Å; L75-Q223 HydrophobicContact CB-CB 4.35Å; L75-Q223 HydrophobicContact CD2-CG 4.46Å; L75-Q223 PolarHBondContact N-O 3.36Å; L75-Q223 PolarHBondContact O-N 3.38Å; L75-L225 HydrophobicContact CB-CD1 4.11Å; L75-L225 HydrophobicContact CB-CG 4.48Å
76	L	98.8	Very high	88.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.8	-177.9	-77.5	61.6	0	0	0	108.9	W74 W107 M122 A128 F129 Y131 V180 I222	W74-L76 HydrophobicContact CB-CD1 3.78Å; L76-W107 HydrophobicContact CB-CH2 4.06Å; L76-W107 HydrophobicContact CB-CZ2 3.55Å; L76-W107 HydrophobicContact CD2-CD2 3.7Å; L76-W107 HydrophobicContact CD2-CE3 4.07Å; L76-W107 HydrophobicContact CD2-CG 4Å; L76-W107 HydrophobicContact CD2-CZ2 4.23Å; L76-W107 HydrophobicContact CD2-CZ3 4.43Å; L76-W107 HydrophobicContact CG-CZ2 4.37Å; L76-M122 HydrophobicContact CD1-CE 3.66Å; L76-M122 HydrophobicContact CG-CE 4.39Å; L76-A128 HydrophobicContact CD1-CB 3.5Å; L76-F129 PolarHBondContact N-O 2.89Å; L76-Y131 PolarHBondContact O-N 2.73Å; L76-V180 HydrophobicContact CD2-CG1 3.95Å; L76-I222 HydrophobicContact CB-CD1 4.38Å; L76-I222 HydrophobicContact CG-CD1 3.8Å
77	K	98.7	Very high	90.5	Very high	31 Å²	31	64.8 Å²	64.8	14%	0.135	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.1	179.1	-56.6	-171.9	-175.5	171.6	0	111.3	L75 Y131 Q218 L220 S221	L75-K77 HydrophobicContact CD2-CD 4.47Å; L75-K77 HydrophobicContact CD2-CG 3.68Å; K77-Y131 WeakPolarHBondContact CA-O 3.38Å; K77-Y131 HydrophobicContact CB-CD1 4.19Å; K77-Y131 HydrophobicContact CD-CD1 4.11Å; K77-Y131 HydrophobicContact CD-CE1 4.36Å; K77-Y131 HydrophobicContact CG-CD1 3.7Å; K77-Y131 HydrophobicContact CG-CE1 4.43Å; K77-Y131 HydrophobicContact CG-CG 4.22Å; K77-Q218 PolarHBondContact NZ-O 2.97Å; K77-L220 WeakPolarHBondContact CE-O 3.33Å; K77-L220 PolarHBondContact NZ-O 2.86Å; K77-S221 PolarHBondContact N-O 3.3Å
78	S	98.1	Very high	92.1	Very high	10 Å²	10	60.2 Å²	60.2	7%	0.07	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.9	172.3	-166.3	0	0	0	0	109.9	F92 Y131 H132 S133	S78-F92 WeakPolarHBondContact CB-O 3.41Å; S78-F92 PolarHBondContact OG-O 3.43Å; S78-Y131 PolarHBondContact N-O 2.9Å; S78-H132 WeakPolarHBondContact O-CA 3.42Å; S78-S133 PolarHBondContact O-N 2.9Å; S78-S133 PolarHBondContact O-OG 3.39Å
79	E	96.8	Very high	93.1	Very high	32 Å²	32	52.2 Å²	52.2	15%	0.15	27%	0.272	C	S	.	.			trans	-95.3	119.6	-176.9	-59	-177	-131.6	0	0	110.3	R83 K91 F92 S133 N134	E79-R83 IonicContact OE1-CZ 3.86Å; E79-R83 IonicContact OE1-NE 3.88Å; E79-R83 PolarHBondContact OE1-NE 3.44Å; E79-R83 IonicContact OE1-NH2 3.78Å; E79-R83 PolarHBondContact OE1-NH2 2.99Å; E79-R83 IonicContact OE2-CZ 3.12Å; E79-R83 IonicContact OE2-NE 2.83Å; E79-R83 PolarHBondContact OE2-NE 2.87Å; E79-R83 IonicContact OE2-NH2 3.99Å; E79-K91 CarbonylContact O-C 3.56Å; E79-K91 WeakPolarHBondContact O-CA 3.4Å; E79-F92 CarbonylContact O-C 3.51Å; E79-F92 PolarHBondContact O-N 3.23Å; E79-S133 WeakPolarHBondContact CA-O 3.24Å; E79-N134 HydrophobicContact CG-CB 3.98Å; E79-N134 PolarHBondContact OE2-ND2 3.3Å
80	P	97.1	Very high	94	Very high	21 Å²	21	49 Å²	49	14%	0.136	26%	0.257	C	S	.	.			trans	-85.9	-18.3	-178.8	35.6	-38.2	0	0	0	113.7	K91 H132 S133 C135	P80-K91 VanDerWaalsContact O-CE 3.25Å; P80-K91 WeakPolarHBondContact O-CE 3.49Å; P80-K91 WeakPolarHBondContact O-CG 3.46Å; P80-H132 WeakPolarHBondContact CB-ND1 3.36Å; P80-H132 HydrophobicContact CG-CB 3.85Å; P80-S133 WeakPolarHBondContact CD-O 3.4Å; P80-C135 HydrophobicContact CG-CB 3.52Å
81	E	95.7	Very high	94.6	Very high	82 Å²	82	47.9 Å²	47.9	38%	0.383	24%	0.243	S	C	.	.	S	Bend	trans	-96.7	156.1	179.1	-68.6	178.6	-155.8	0	0	110.5	R83 C135 K136	E81-R83 PolarHBondContact O-N 2.82Å; E81-C135 HydrophobicContact CG-CB 3.89Å; E81-C135 WeakPolarHBondContact OE1-CA 3.45Å; E81-C135 VanDerWaalsContact OE1-CB 3.29Å; E81-C135 WeakPolarHBondContact OE1-CB 3.2Å; E81-K136 PolarHBondContact OE1-N 2.82Å
82	S	94.6	Very high	95.1	Very high	83 Å²	83	43.9 Å²	43.9	58%	0.58	23%	0.227	S	C	*	.			trans	-68.9	130.2	-179.7	-172.2	0	0	0	0	111.1	D89	S82-D89 WeakPolarHBondContact CA-OD1 3.38Å; S82-D89 WeakPolarHBondContact CB-OD2 3.43Å; S82-D89 PolarHBondContact OG-OD1 3.12Å; S82-D89 PolarHBondContact OG-OD2 2.88Å
83	R	93.8	Very high	95.5	Very high	80 Å²	80	42.8 Å²	42.8	30%	0.302	22%	0.22	S	C	.	.			trans	-148.1	123.2	172.7	-176	-179.1	64.2	78	-2.1	109.1	E79 E81 E85 D89 M90 N134	E79-R83 IonicContact OE1-CZ 3.86Å; E79-R83 IonicContact OE1-NE 3.88Å; E79-R83 PolarHBondContact OE1-NE 3.44Å; E79-R83 IonicContact OE1-NH2 3.78Å; E79-R83 PolarHBondContact OE1-NH2 2.99Å; E79-R83 IonicContact OE2-CZ 3.12Å; E79-R83 IonicContact OE2-NE 2.83Å; E79-R83 PolarHBondContact OE2-NE 2.87Å; E79-R83 IonicContact OE2-NH2 3.99Å; E81-R83 PolarHBondContact O-N 2.82Å; R83-E85 IonicContact CZ-OE2 2.95Å; R83-E85 IonicContact NH1-OE2 2.9Å; R83-E85 PolarHBondContact NH1-OE2 3.31Å; R83-E85 IonicContact NH2-OE2 2.87Å; R83-E85 PolarHBondContact NH2-OE2 3.46Å; R83-D89 PolarHBondContact N-OD1 2.92Å; R83-M90 WeakPolarHBondContact O-CB 3.39Å; R83-M90 PolarHBondContact O-N 3Å; R83-N134 WeakPolarHBondContact CD-ND2 3.34Å
84	L	92.8	Very high	95.5	Very high	97 Å²	97	41.9 Å²	41.9	51%	0.508	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.5	178.3	-60.3	-179.9	0	0	0	111	V88 D89	L84-V88 WeakPolarHBondContact CA-O 3.43Å; L84-D89 HydrophobicContact CD2-CB 4.04Å
85	E	90.2	Very high	95.5	Very high	63 Å²	63	46 Å²	46	29%	0.294	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.2	168.5	-165.5	162.2	155.6	0	0	108.5	R83 G87 V88 M90 P162	R83-E85 IonicContact CZ-OE2 2.95Å; R83-E85 IonicContact NH1-OE2 2.9Å; R83-E85 PolarHBondContact NH1-OE2 3.31Å; R83-E85 IonicContact NH2-OE2 2.87Å; R83-E85 PolarHBondContact NH2-OE2 3.46Å; E85-G87 PolarHBondContact O-N 3.02Å; E85-G87 VanDerWaalsContact O-N 3.1Å; E85-V88 PolarHBondContact N-O 2.84Å; E85-V88 PolarHBondContact O-N 2.88Å; E85-M90 HydrophobicContact CB-CG 3.64Å; E85-M90 HydrophobicContact CB-SD 4.2Å; E85-P162 HydrophobicContact CB-CB 4.24Å; E85-P162 HydrophobicContact CG-CB 4.13Å; E85-P162 VanDerWaalsContact O-CG 3.29Å; E85-P162 WeakPolarHBondContact O-CG 3.29Å
86	K	90.7	Very high	95.4	Very high	159 Å²	159	48.3 Å²	48.3	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.3	-173	-54.2	-172.4	-168.2	159.1	0	113.5	V88 P162	K86-V88 VanDerWaalsContact C-N 3.34Å; K86-P162 HydrophobicContact CB-CB 4.49Å; K86-P162 WeakPolarHBondContact CE-O 3.36Å; K86-P162 PolarHBondContact NZ-O 2.75Å
87	G	91.3	Very high	95.4	Very high	37 Å²	37	48.3 Å²	48.3	38%	0.381	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	7.7	178.5	0	0	0	0	0	115.5	E85	E85-G87 PolarHBondContact O-N 3.02Å; E85-G87 VanDerWaalsContact O-N 3.1Å
88	V	91.3	Very high	95.4	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.2	176.9	179.3	0	0	0	0	109.1	R8 L84 E85 K86 P162	R8-V88 HydrophobicContact CB-CG1 3.53Å; R8-V88 HydrophobicContact CG-CG1 4.27Å; L84-V88 WeakPolarHBondContact CA-O 3.43Å; E85-V88 PolarHBondContact N-O 2.84Å; E85-V88 PolarHBondContact O-N 2.88Å; K86-V88 VanDerWaalsContact C-N 3.34Å; V88-P162 HydrophobicContact CB-CG 3.5Å; V88-P162 VanDerWaalsContact CB-CG 3.5Å; V88-P162 HydrophobicContact CG1-CG 4Å; V88-P162 HydrophobicContact CG2-CG 3.79Å
89	D	93.7	Very high	95.4	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.134	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.9	176.2	-163.6	-2.9	0	0	0	111.5	R8 D9 S82 R83 L84 K91	R8-D89 WeakPolarHBondContact CB-O 3.39Å; R8-D89 WeakPolarHBondContact CG-O 3.42Å; D9-D89 PolarHBondContact O-N 3.11Å; D9-D89 VanDerWaalsContact O-N 3.12Å; S82-D89 WeakPolarHBondContact CA-OD1 3.38Å; S82-D89 WeakPolarHBondContact CB-OD2 3.43Å; S82-D89 PolarHBondContact OG-OD1 3.12Å; S82-D89 PolarHBondContact OG-OD2 2.88Å; R83-D89 PolarHBondContact N-OD1 2.92Å; L84-D89 HydrophobicContact CD2-CB 4.04Å; D89-K91 WeakPolarHBondContact OD1-CB 3.29Å; D89-K91 PolarHBondContact OD1-N 3.45Å
90	M	93.6	Very high	95.5	Very high	24 Å²	24	54.2 Å²	54.2	12%	0.118	29%	0.287	C	S	.	.			trans	-88.4	-5.4	179.4	-68.9	-52.6	-56	0	0	113.6	R83 E85 F92 P162 H163	R83-M90 WeakPolarHBondContact O-CB 3.39Å; R83-M90 PolarHBondContact O-N 3Å; E85-M90 HydrophobicContact CB-CG 3.64Å; E85-M90 HydrophobicContact CB-SD 4.2Å; M90-F92 PolarHBondContact O-N 3.24Å; M90-P162 HydrophobicContact SD-CG 4.35Å; M90-H163 WeakPolarHBondContact CE-CE1 3.3Å; M90-H163 VanDerWaalsContact CE-NE2 3.26Å; M90-H163 WeakPolarHBondContact CE-NE2 3.21Å; M90-H163 VanDerWaalsContact SD-CE1 3.55Å
91	K	96.4	Very high	95.6	Very high	93 Å²	93	57.8 Å²	57.8	40%	0.404	31%	0.311	S	S	.	.			trans	-52.6	127.6	179.6	-174	-175.9	171	-163.7	0	112.8	E79 P80 D89	E79-K91 CarbonylContact O-C 3.56Å; E79-K91 WeakPolarHBondContact O-CA 3.4Å; P80-K91 VanDerWaalsContact O-CE 3.25Å; P80-K91 WeakPolarHBondContact O-CE 3.49Å; P80-K91 WeakPolarHBondContact O-CG 3.46Å; D89-K91 WeakPolarHBondContact OD1-CB 3.29Å; D89-K91 PolarHBondContact OD1-N 3.45Å
92	F	97.8	Very high	95.7	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.035	33%	0.327	C	S	.	.			trans	-160	105.9	162.1	-168.2	-98.4	0	0	0	111.4	R6 S78 E79 M90 D96 L97 Q100 T105 F130	R6-F92 HydrophobicContact CG-CD2 3.99Å; R6-F92 HydrophobicContact CG-CE2 3.83Å; R6-F92 VanDerWaalsContact CZ-CG 3.49Å; R6-F92 VanDerWaalsContact NE-CE2 3.25Å; R6-F92 VanDerWaalsContact NE-CG 3.29Å; S78-F92 WeakPolarHBondContact CB-O 3.41Å; S78-F92 PolarHBondContact OG-O 3.43Å; E79-F92 CarbonylContact O-C 3.51Å; E79-F92 PolarHBondContact O-N 3.23Å; M90-F92 PolarHBondContact O-N 3.24Å; F92-D96 HydrophobicContact CD2-CB 3.71Å; F92-D96 HydrophobicContact CE2-CB 3.9Å; F92-D96 HydrophobicContact CG-CB 4.18Å; F92-L97 HydrophobicContact CE1-CB 3.84Å; F92-L97 HydrophobicContact CZ-CB 3.95Å; F92-L97 HydrophobicContact CZ-CD1 4.35Å; F92-Q100 HydrophobicContact CZ-CG 4.43Å; F92-T105 HydrophobicContact CE1-CG2 3.98Å; F92-T105 HydrophobicContact CZ-CG2 3.75Å; F92-F130 HydrophobicContact CD1-CE2 4.31Å; F92-F130 AromaticContact CD1-CZ 3.94Å; F92-F130 HydrophobicContact CD1-CZ 3.94Å; F92-F130 HydrophobicContact CE1-CE2 4.19Å; F92-F130 HydrophobicContact CE1-CZ 4.28Å
93	S	98.3	Very high	95.9	Very high	14 Å²	14	60 Å²	60	10%	0.098	32%	0.316	C	S	.	.			trans	-86	175.5	174.1	71.6	0	0	0	0	112	E95 D96 L97	S93-E95 VanDerWaalsContact C-N 3.25Å; S93-E95 PolarHBondContact O-N 3.24Å; S93-E95 PolarHBondContact OG-N 3.44Å; S93-D96 WeakPolarHBondContact CB-OD2 3.35Å; S93-D96 PolarHBondContact N-OD2 2.82Å; S93-D96 PolarHBondContact O-N 2.71Å; S93-D96 VanDerWaalsContact OG-CG 3.27Å; S93-D96 PolarHBondContact OG-N 2.82Å; S93-D96 PolarHBondContact OG-OD2 3.35Å; S93-L97 PolarHBondContact O-N 2.63Å
94	I	98.3	Very high	96.1	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-71	-26.2	173.5	-167.2	165	0	0	0	111.5	D96 L97 K98 F130 H132 V141 F182 M185	I94-D96 VanDerWaalsContact C-N 3.35Å; I94-L97 WeakPolarHBondContact O-CB 3.3Å; I94-L97 PolarHBondContact O-N 3.35Å; I94-K98 WeakPolarHBondContact O-CG 3.16Å; I94-K98 PolarHBondContact O-N 3.29Å; I94-F130 HydrophobicContact CB-CD1 4.12Å; I94-F130 HydrophobicContact CB-CD2 4.42Å; I94-F130 HydrophobicContact CB-CE1 4.2Å; I94-F130 HydrophobicContact CB-CE2 4.47Å; I94-F130 HydrophobicContact CB-CG 4.24Å; I94-F130 HydrophobicContact CB-CZ 4.37Å; I94-F130 HydrophobicContact CD1-CB 4.03Å; I94-F130 HydrophobicContact CD1-CG 4.21Å; I94-F130 HydrophobicContact CG1-CD2 4.29Å; I94-F130 HydrophobicContact CG1-CG 4.3Å; I94-H132 PolarHBondContact N-NE2 3.37Å; I94-V141 HydrophobicContact CB-CG2 3.9Å; I94-V141 HydrophobicContact CD1-CG2 3.98Å; I94-V141 HydrophobicContact CG2-CB 4.25Å; I94-V141 HydrophobicContact CG2-CG2 3.73Å; I94-F182 HydrophobicContact CD1-CD2 4.11Å; I94-F182 HydrophobicContact CD1-CE2 3.96Å; I94-F182 HydrophobicContact CG1-CD2 4.1Å; I94-F182 HydrophobicContact CG1-CE2 4.18Å; I94-M185 HydrophobicContact CD1-SD 3.76Å; I94-M185 HydrophobicContact CG1-SD 4.18Å; I94-M185 HydrophobicContact CG2-CE 3.85Å; I94-M185 HydrophobicContact CG2-SD 3.9Å
95	E	98.3	Very high	96.4	Very high	92 Å²	92	53.5 Å²	53.5	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-68.4	-37.5	173.7	-61.8	-55.9	139.6	0	0	110.9	S93 L97 K98 A99	S93-E95 VanDerWaalsContact C-N 3.25Å; S93-E95 PolarHBondContact O-N 3.24Å; S93-E95 PolarHBondContact OG-N 3.44Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 3.12Å; E95-K98 PolarHBondContact O-N 3.3Å; E95-K98 IonicContact OE1-NZ 2.71Å; E95-K98 PolarHBondContact OE1-NZ 2.75Å; E95-K98 WeakPolarHBondContact OE2-CE 3.36Å; E95-K98 IonicContact OE2-NZ 2.76Å; E95-K98 PolarHBondContact OE2-NZ 3.4Å; E95-A99 WeakPolarHBondContact O-CB 3.4Å; E95-A99 PolarHBondContact O-N 3.49Å
96	D	98.3	Very high	96.7	Very high	49 Å²	49	51.4 Å²	51.4	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-34.1	173.2	-58.7	-54.9	0	0	0	111.8	F92 S93 I94 Q100	F92-D96 HydrophobicContact CD2-CB 3.71Å; F92-D96 HydrophobicContact CE2-CB 3.9Å; F92-D96 HydrophobicContact CG-CB 4.18Å; S93-D96 WeakPolarHBondContact CB-OD2 3.35Å; S93-D96 PolarHBondContact N-OD2 2.82Å; S93-D96 PolarHBondContact O-N 2.71Å; S93-D96 VanDerWaalsContact OG-CG 3.27Å; S93-D96 PolarHBondContact OG-N 2.82Å; S93-D96 PolarHBondContact OG-OD2 3.35Å; I94-D96 VanDerWaalsContact C-N 3.35Å; D96-Q100 WeakPolarHBondContact O-CG 3.34Å; D96-Q100 PolarHBondContact O-N 2.67Å; D96-Q100 PolarHBondContact O-NE2 2.87Å
97	L	98.6	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-46.8	171.1	175.9	60.7	0	0	0	111.8	F92 S93 I94 E95 A99 Q100 Q103 T105 F130 V144 F182	F92-L97 HydrophobicContact CE1-CB 3.84Å; F92-L97 HydrophobicContact CZ-CB 3.95Å; F92-L97 HydrophobicContact CZ-CD1 4.35Å; S93-L97 PolarHBondContact O-N 2.63Å; I94-L97 WeakPolarHBondContact O-CB 3.3Å; I94-L97 PolarHBondContact O-N 3.35Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 3.12Å; L97-A99 PolarHBondContact O-N 3.22Å; L97-Q100 WeakPolarHBondContact O-CB 3.39Å; L97-Q100 PolarHBondContact O-N 3.39Å; L97-Q103 WeakPolarHBondContact CD1-O 3.44Å; L97-Q103 WeakPolarHBondContact O-CA 3.32Å; L97-T105 HydrophobicContact CD1-CG2 3.58Å; L97-F130 HydrophobicContact CB-CE2 4.36Å; L97-F130 HydrophobicContact CD2-CD2 4.06Å; L97-F130 HydrophobicContact CD2-CE2 4.01Å; L97-V144 HydrophobicContact CD2-CG1 3.51Å; L97-F182 HydrophobicContact CD2-CB 4.16Å; L97-F182 HydrophobicContact CG-CB 4.26Å
98	K	98.4	Very high	97.4	Very high	63 Å²	63	42.9 Å²	42.9	27%	0.274	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-28.9	178.2	-72.7	163.7	65.1	-163.6	0	112.2	I94 E95 F182 M185	I94-K98 WeakPolarHBondContact O-CG 3.16Å; I94-K98 PolarHBondContact O-N 3.29Å; E95-K98 PolarHBondContact O-N 3.3Å; E95-K98 IonicContact OE1-NZ 2.71Å; E95-K98 PolarHBondContact OE1-NZ 2.75Å; E95-K98 WeakPolarHBondContact OE2-CE 3.36Å; E95-K98 IonicContact OE2-NZ 2.76Å; E95-K98 PolarHBondContact OE2-NZ 3.4Å; K98-F182 HydrophobicContact CD-CD2 4.25Å; K98-F182 HydrophobicContact CD-CE1 4.45Å; K98-F182 HydrophobicContact CD-CE2 3.8Å; K98-F182 HydrophobicContact CD-CZ 3.9Å; K98-F182 HydrophobicContact CG-CD1 4.11Å; K98-F182 HydrophobicContact CG-CD2 3.74Å; K98-F182 HydrophobicContact CG-CE1 4.16Å; K98-F182 HydrophobicContact CG-CE2 3.81Å; K98-F182 HydrophobicContact CG-CG 3.89Å; K98-F182 HydrophobicContact CG-CZ 4Å; K98-M185 HydrophobicContact CD-SD 4.18Å
99	A	98.4	Very high	97.7	Very high	82 Å²	82	43 Å²	43	68%	0.678	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11	175.7	0	0	0	0	0	114.2	E95 L97	E95-A99 WeakPolarHBondContact O-CB 3.4Å; E95-A99 PolarHBondContact O-N 3.49Å; L97-A99 PolarHBondContact O-N 3.22Å
100	Q	98.3	Very high	97.9	Very high	51 Å²	51	42.1 Å²	42.1	24%	0.238	23%	0.232	C	C	.	.	S	Bend	trans	-69.2	154	175.7	-64.5	-54.6	-47.5	0	0	111.8	F92 D96 L97 N102 Q103 T104	F92-Q100 HydrophobicContact CZ-CG 4.43Å; D96-Q100 WeakPolarHBondContact O-CG 3.34Å; D96-Q100 PolarHBondContact O-N 2.67Å; D96-Q100 PolarHBondContact O-NE2 2.87Å; L97-Q100 WeakPolarHBondContact O-CB 3.39Å; L97-Q100 PolarHBondContact O-N 3.39Å; Q100-N102 PolarHBondContact O-N 3.29Å; Q100-Q103 WeakPolarHBondContact O-CA 3.49Å; Q100-Q103 PolarHBondContact O-N 3.48Å; Q100-T104 WeakPolarHBondContact CB-O 3.34Å
101	P	98.3	Very high	98.2	Very high	97 Å²	97	44 Å²	44	63%	0.63	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-52.1	131.2	167.8	-25.2	34.9	0	0	0	111.5	Q103 T104	P101-Q103 PolarHBondContact O-N 2.94Å; P101-T104 PolarHBondContact O-N 3.48Å; P101-T104 VanDerWaalsContact O-N 3.15Å
102	N	97.8	Very high	98.3	Very high	135 Å²	135	42.5 Å²	42.5	72%	0.722	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	53.9	20.6	-174.6	-54.8	-38.9	0	0	0	114.2	Q100 T104 Q181	Q100-N102 PolarHBondContact O-N 3.29Å; N102-T104 PolarHBondContact O-N 3.12Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 PolarHBondContact O-OG1 2.86Å; N102-Q181 PolarHBondContact O-NE2 3Å
103	Q	98.5	Very high	98.3	Very high	75 Å²	75	48 Å²	48	35%	0.35	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	49.8	36.2	-174.8	-44.8	-176.3	-67.9	0	0	112.4	L97 Q100 P101 Q181 F182	L97-Q103 WeakPolarHBondContact CD1-O 3.44Å; L97-Q103 WeakPolarHBondContact O-CA 3.32Å; Q100-Q103 WeakPolarHBondContact O-CA 3.49Å; Q100-Q103 PolarHBondContact O-N 3.48Å; P101-Q103 PolarHBondContact O-N 2.94Å; Q103-Q181 WeakPolarHBondContact O-CA 3.28Å; Q103-F182 HydrophobicContact CB-CB 3.71Å; Q103-F182 PolarHBondContact O-N 2.94Å
104	T	98.8	Very high	98.3	Very high	35 Å²	35	51.1 Å²	51.1	22%	0.215	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.6	-171.8	-60.3	0	0	0	0	110.4	Q100 P101 N102 V147 D179 V180 Q181	Q100-T104 WeakPolarHBondContact CB-O 3.34Å; P101-T104 PolarHBondContact O-N 3.48Å; P101-T104 VanDerWaalsContact O-N 3.15Å; N102-T104 PolarHBondContact O-N 3.12Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 PolarHBondContact O-OG1 2.86Å; T104-V147 HydrophobicContact CG2-CG2 3.71Å; T104-D179 HydrophobicContact CG2-CB 4.41Å; T104-V180 VanDerWaalsContact CA-O 3.28Å; T104-V180 WeakPolarHBondContact CA-O 3.49Å; T104-V180 WeakPolarHBondContact CG2-O 3.28Å; T104-Q181 WeakPolarHBondContact OG1-CG 3.37Å; T104-Q181 PolarHBondContact OG1-NE2 3.24Å
105	T	98.5	Very high	98.3	Very high	7 Å²	7	51 Å²	51	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	174.2	-167	0	0	0	0	110.7	F92 L97 W107 D179 V180	F92-T105 HydrophobicContact CE1-CG2 3.98Å; F92-T105 HydrophobicContact CZ-CG2 3.75Å; L97-T105 HydrophobicContact CD1-CG2 3.58Å; T105-W107 HydrophobicContact CG2-CE3 4.42Å; T105-D179 CarbonylContact O-C 3.58Å; T105-D179 WeakPolarHBondContact O-CA 3.22Å; T105-V180 HydrophobicContact CG2-CG2 3.93Å; T105-V180 PolarHBondContact N-O 3.2Å; T105-V180 PolarHBondContact O-N 3.32Å
106	F	98.2	Very high	98.3	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	148.1	161.1	56.7	-92	0	0	0	110.8	P4 R6 D108 Y151 H154 M177 V178 D179	P4-F106 WeakPolarHBondContact O-CE1 3.34Å; R6-F106 HydrophobicContact CB-CE1 4.15Å; R6-F106 HydrophobicContact CB-CE2 3.98Å; R6-F106 HydrophobicContact CB-CZ 3.5Å; F106-D108 HydrophobicContact CD2-CB 3.71Å; F106-D108 HydrophobicContact CE2-CB 3.92Å; F106-Y151 WeakPolarHBondContact CB-OH 3.48Å; F106-H154 AromaticContact CZ-NE2 3.99Å; F106-M177 HydrophobicContact CB-CE 4.47Å; F106-M177 HydrophobicContact CB-SD 4.02Å; F106-M177 HydrophobicContact CD2-SD 3.98Å; F106-M177 HydrophobicContact CG-SD 4.28Å; F106-V178 CarbonylContact C-O 3.59Å; F106-V178 WeakPolarHBondContact CA-O 3.39Å; F106-D179 WeakPolarHBondContact CA-OD1 3.32Å; F106-D179 VanDerWaalsContact CB-OD1 3.29Å; F106-D179 WeakPolarHBondContact CB-OD1 3.29Å
107	W	98.6	Very high	98.3	Very high	8 Å²	8	49.8 Å²	49.8	3%	0.03	26%	0.261	C	S	.	.			trans	-106.7	72.8	-179.4	-153.6	-84.7	0	0	0	111.2	L76 T105 F130 M177 V178 V180	L76-W107 HydrophobicContact CB-CH2 4.06Å; L76-W107 HydrophobicContact CB-CZ2 3.55Å; L76-W107 HydrophobicContact CD2-CD2 3.7Å; L76-W107 HydrophobicContact CD2-CE3 4.07Å; L76-W107 HydrophobicContact CD2-CG 4Å; L76-W107 HydrophobicContact CD2-CZ2 4.23Å; L76-W107 HydrophobicContact CD2-CZ3 4.43Å; L76-W107 HydrophobicContact CG-CZ2 4.37Å; T105-W107 HydrophobicContact CG2-CE3 4.42Å; W107-F130 AromaticContact CH2-CD2 3.8Å; W107-F130 HydrophobicContact CH2-CD2 3.8Å; W107-F130 HydrophobicContact CH2-CE1 4.47Å; W107-F130 AromaticContact CH2-CE2 3.46Å; W107-F130 HydrophobicContact CH2-CE2 3.46Å; W107-F130 VanDerWaalsContact CH2-CE2 3.46Å; W107-F130 HydrophobicContact CH2-CG 4.45Å; W107-F130 AromaticContact CH2-CZ 3.84Å; W107-F130 HydrophobicContact CH2-CZ 3.84Å; W107-F130 AromaticContact CZ3-CD2 3.95Å; W107-F130 HydrophobicContact CZ3-CD2 3.95Å; W107-F130 AromaticContact CZ3-CE2 3.56Å; W107-F130 HydrophobicContact CZ3-CE2 3.56Å; W107-F130 HydrophobicContact CZ3-CZ 4.29Å; W107-M177 WeakPolarHBondContact O-CB 3.49Å; W107-V178 HydrophobicContact CB-CG2 3.98Å; W107-V178 PolarHBondContact N-O 2.89Å; W107-V180 HydrophobicContact CE3-CG1 4.36Å; W107-V180 HydrophobicContact CE3-CG2 3.56Å; W107-V180 HydrophobicContact CZ3-CG2 3.9Å
108	D	97.9	Very high	98.3	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.043	27%	0.269	C	S	.	.			trans	-82.9	-179.1	-176.6	69.5	-51.5	0	0	0	113.8	R6 R8 F106 V110 T155 M177	R6-D108 IonicContact NH1-OD1 3.28Å; R6-D108 PolarHBondContact NH1-OD1 2.91Å; R8-D108 IonicContact CZ-OD1 2.76Å; R8-D108 IonicContact CZ-OD2 3.3Å; R8-D108 IonicContact NH1-OD2 2.86Å; R8-D108 PolarHBondContact NH1-OD2 2.97Å; R8-D108 IonicContact NH2-OD1 2.72Å; R8-D108 PolarHBondContact NH2-OD1 2.88Å; R8-D108 IonicContact NH2-OD2 3.49Å; R8-D108 PolarHBondContact NH2-OD2 3.42Å; F106-D108 HydrophobicContact CD2-CB 3.71Å; F106-D108 HydrophobicContact CE2-CB 3.92Å; D108-V110 VanDerWaalsContact C-N 3.27Å; D108-V110 PolarHBondContact O-N 3.15Å; D108-T155 HydrophobicContact CB-CG2 4.1Å; D108-T155 WeakPolarHBondContact OD2-CG2 3.36Å; D108-M177 HydrophobicContact CB-SD 3.81Å
109	G	97.3	Very high	98.3	Very high	16 Å²	16	48.5 Å²	48.5	17%	0.165	26%	0.256	C	S	.	.			trans	80.6	1.4	169.7	0	0	0	0	0	114.5	R111 D153 H163	G109-R111 PolarHBondContact O-N 2.87Å; G109-R111 VanDerWaalsContact O-N 3.17Å; G109-D153 PolarHBondContact N-OD2 3.18Å; G109-H163 PolarHBondContact O-CD2 2.85Å
110	V	98.3	Very high	98.3	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	24%	0.243	C	C	.	.			trans	-70.6	113.4	175	178.3	0	0	0	0	110.1	D108 A115 L119 I222	D108-V110 VanDerWaalsContact C-N 3.27Å; D108-V110 PolarHBondContact O-N 3.15Å; V110-A115 HydrophobicContact CG1-CB 3.56Å; V110-L119 HydrophobicContact CB-CD1 3.84Å; V110-L119 HydrophobicContact CG1-CD1 4.04Å; V110-L119 HydrophobicContact CG2-CD1 3.77Å; V110-I222 HydrophobicContact CG1-CG1 4.37Å; V110-I222 HydrophobicContact CG2-CD1 4.11Å; V110-I222 HydrophobicContact CG2-CG1 3.96Å
111	R	98.2	Very high	98.3	Very high	63 Å²	63	49.5 Å²	49.5	24%	0.238	25%	0.251	C	S	.	.			trans	-120.1	19.9	-179.5	-60.2	-61.9	176.5	-86.4	-2.8	113.9	G109 D153 T155 H163 W175	G109-R111 PolarHBondContact O-N 2.87Å; G109-R111 VanDerWaalsContact O-N 3.17Å; R111-D153 IonicContact CZ-OD2 3.39Å; R111-D153 IonicContact NH1-OD2 2.7Å; R111-D153 PolarHBondContact NH1-OD2 2.95Å; R111-D153 IonicContact NH2-OD2 3.45Å; R111-D153 PolarHBondContact NH2-OD2 3.32Å; R111-T155 PolarHBondContact NH2-OG1 3.31Å; R111-H163 HydrophobicContact CG-CB 4.22Å; R111-H163 VanDerWaalsContact CZ-CB 3.46Å; R111-H163 VanDerWaalsContact CZ-O 3.26Å; R111-H163 PolarHBondContact NE-O 3.3Å; R111-H163 PolarHBondContact NH2-O 2.86Å; R111-W175 VanDerWaalsContact CA-CZ3 3.48Å; R111-W175 HydrophobicContact CB-CH2 4.35Å; R111-W175 HydrophobicContact CB-CZ2 4.3Å; R111-W175 VanDerWaalsContact CD-CE2 3.41Å; R111-W175 WeakPolarHBondContact O-CH2 3.34Å
112	N	98.5	Very high	98.3	Very high	61 Å²	61	44.9 Å²	44.9	33%	0.326	22%	0.221	S	C	.	.			trans	-106.1	127	171.7	176.9	-63	0	0	0	109.7	Q114 A115 R116	N112-Q114 VanDerWaalsContact C-N 3.33Å; N112-Q114 PolarHBondContact O-N 3.08Å; N112-Q114 WeakPolarHBondContact OD1-CA 3.28Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.43Å; N112-Q114 PolarHBondContact OD1-N 3.46Å; N112-A115 HydrophobicContact CB-CB 3.88Å; N112-A115 PolarHBondContact O-N 3.05Å; N112-A115 PolarHBondContact OD1-N 3.47Å; N112-R116 WeakPolarHBondContact O-CB 3.21Å; N112-R116 PolarHBondContact O-N 3Å
113	Y	98.3	Very high	98.3	Very high	125 Å²	125	43.1 Å²	43.1	49%	0.49	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-38.2	-176.1	-75.8	-73.4	0	0	0	113.7	N117 W175	Y113-N117 PolarHBondContact O-N 2.94Å; Y113-N117 PolarHBondContact O-ND2 3.14Å; Y113-N117 PolarHBondContact O-OD1 3.25Å; Y113-W175 HydrophobicContact CD1-CH2 4.21Å; Y113-W175 HydrophobicContact CD1-CZ3 4.32Å; Y113-W175 HydrophobicContact CD2-CH2 4.25Å; Y113-W175 HydrophobicContact CE1-CH2 4.1Å; Y113-W175 HydrophobicContact CE2-CH2 4.14Å; Y113-W175 HydrophobicContact CG-CH2 4.28Å
114	Q	98.1	Very high	98.3	Very high	78 Å²	78	44.6 Å²	44.6	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-68.5	-47.5	177.2	-171.4	-176.5	22	0	0	110.5	N112 R116 N117 F118 L220	N112-Q114 VanDerWaalsContact C-N 3.33Å; N112-Q114 PolarHBondContact O-N 3.08Å; N112-Q114 WeakPolarHBondContact OD1-CA 3.28Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.43Å; N112-Q114 PolarHBondContact OD1-N 3.46Å; Q114-R116 VanDerWaalsContact C-N 3.3Å; Q114-R116 PolarHBondContact O-N 3.43Å; Q114-N117 WeakPolarHBondContact O-CB 3.38Å; Q114-N117 PolarHBondContact O-N 3.01Å; Q114-N117 VanDerWaalsContact O-N 3.09Å; Q114-F118 HydrophobicContact CG-CD2 4.16Å; Q114-F118 HydrophobicContact CG-CE2 3.56Å; Q114-F118 HydrophobicContact CG-CZ 4.14Å; Q114-F118 VanDerWaalsContact O-CD2 3.32Å; Q114-F118 WeakPolarHBondContact O-CD2 3.36Å; Q114-F118 PolarHBondContact O-N 2.85Å; Q114-L220 HydrophobicContact CB-CD1 4.02Å; Q114-L220 HydrophobicContact CG-CD1 4.18Å
115	A	98.5	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-42.1	175.8	0	0	0	0	0	111.9	V110 N112 N117 F118 L119 L220 I222	V110-A115 HydrophobicContact CG1-CB 3.56Å; N112-A115 HydrophobicContact CB-CB 3.88Å; N112-A115 PolarHBondContact O-N 3.05Å; N112-A115 PolarHBondContact OD1-N 3.47Å; A115-N117 VanDerWaalsContact C-N 3.34Å; A115-N117 PolarHBondContact O-N 3.43Å; A115-F118 WeakPolarHBondContact O-CB 3.41Å; A115-F118 PolarHBondContact O-N 3.15Å; A115-L119 PolarHBondContact O-N 3.35Å; A115-L220 HydrophobicContact CB-CD1 3.8Å; A115-I222 HydrophobicContact CB-CB 3.89Å; A115-I222 HydrophobicContact CB-CG1 3.91Å
116	R	98.5	Very high	98.3	Very high	35 Å²	35	46.9 Å²	46.9	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-44.1	174.1	-179.2	-153.5	66.2	-175.8	-1.1	111.8	N112 Q114 F118 L119 R120 K174 W175	N112-R116 WeakPolarHBondContact O-CB 3.21Å; N112-R116 PolarHBondContact O-N 3Å; Q114-R116 VanDerWaalsContact C-N 3.3Å; Q114-R116 PolarHBondContact O-N 3.43Å; R116-F118 PolarHBondContact O-N 3.22Å; R116-L119 WeakPolarHBondContact O-CB 3.43Å; R116-L119 PolarHBondContact O-N 3.18Å; R116-R120 WeakPolarHBondContact O-CG 3.44Å; R116-R120 PolarHBondContact O-N 2.87Å; R116-K174 WeakPolarHBondContact CD-O 3.37Å; R116-K174 PolarHBondContact NH1-O 3.36Å; R116-W175 HydrophobicContact CB-CE3 4.26Å; R116-W175 HydrophobicContact CB-CZ3 4.33Å; R116-W175 HydrophobicContact CG-CE3 4.38Å
117	N	98.4	Very high	98.3	Very high	81 Å²	81	49.1 Å²	49.1	43%	0.433	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-34.9	178.6	-67.4	-9	0	0	0	111.1	Y113 Q114 A115 R120 A121	Y113-N117 PolarHBondContact O-N 2.94Å; Y113-N117 PolarHBondContact O-ND2 3.14Å; Y113-N117 PolarHBondContact O-OD1 3.25Å; Q114-N117 WeakPolarHBondContact O-CB 3.38Å; Q114-N117 PolarHBondContact O-N 3.01Å; Q114-N117 VanDerWaalsContact O-N 3.09Å; A115-N117 VanDerWaalsContact C-N 3.34Å; A115-N117 PolarHBondContact O-N 3.43Å; N117-R120 PolarHBondContact O-N 2.88Å; N117-A121 PolarHBondContact O-N 3.28Å; N117-A121 VanDerWaalsContact O-N 3.13Å
118	F	98.4	Very high	98.3	Very high	36 Å²	36	48.7 Å²	48.7	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-43.2	171.9	-68.9	-45	0	0	0	112.9	W74 Q114 A115 R116 R120 A121 M122 M213 L220 I222 P224	W74-F118 HydrophobicContact CE3-CB 4.29Å; W74-F118 HydrophobicContact CH2-CB 4.48Å; W74-F118 HydrophobicContact CH2-CD1 4.46Å; W74-F118 HydrophobicContact CZ3-CB 3.65Å; W74-F118 AromaticContact CZ3-CD1 3.85Å; W74-F118 HydrophobicContact CZ3-CD1 3.85Å; W74-F118 HydrophobicContact CZ3-CG 4.03Å; Q114-F118 HydrophobicContact CG-CD2 4.16Å; Q114-F118 HydrophobicContact CG-CE2 3.56Å; Q114-F118 HydrophobicContact CG-CZ 4.14Å; Q114-F118 VanDerWaalsContact O-CD2 3.32Å; Q114-F118 WeakPolarHBondContact O-CD2 3.36Å; Q114-F118 PolarHBondContact O-N 2.85Å; A115-F118 WeakPolarHBondContact O-CB 3.41Å; A115-F118 PolarHBondContact O-N 3.15Å; R116-F118 PolarHBondContact O-N 3.22Å; F118-R120 PolarHBondContact O-N 2.97Å; F118-A121 WeakPolarHBondContact O-CB 3.26Å; F118-A121 PolarHBondContact O-N 3.28Å; F118-M122 PolarHBondContact O-N 3.19Å; F118-M213 HydrophobicContact CE2-CE 4.04Å; F118-M213 HydrophobicContact CZ-CE 4.21Å; F118-M213 HydrophobicContact CZ-SD 4.45Å; F118-L220 HydrophobicContact CD2-CD2 4.17Å; F118-L220 HydrophobicContact CE2-CD2 3.75Å; F118-I222 HydrophobicContact CB-CG2 3.85Å; F118-I222 WeakPolarHBondContact CD2-O 3.33Å; F118-P224 HydrophobicContact CD1-CB 4.48Å; F118-P224 HydrophobicContact CD1-CG 4.06Å; F118-P224 HydrophobicContact CE1-CB 4.4Å; F118-P224 HydrophobicContact CE1-CG 3.63Å; F118-P224 HydrophobicContact CE2-CG 4.16Å; F118-P224 HydrophobicContact CZ-CG 3.68Å
119	L	98.3	Very high	98.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-42.4	171	-69.8	179.8	0	0	0	112.1	V110 A115 R116 A121 M122 S176 V178 I222	V110-L119 HydrophobicContact CB-CD1 3.84Å; V110-L119 HydrophobicContact CG1-CD1 4.04Å; V110-L119 HydrophobicContact CG2-CD1 3.77Å; A115-L119 PolarHBondContact O-N 3.35Å; R116-L119 WeakPolarHBondContact O-CB 3.43Å; R116-L119 PolarHBondContact O-N 3.18Å; L119-A121 PolarHBondContact O-N 3.35Å; L119-M122 HydrophobicContact CD2-CE 3.96Å; L119-M122 HydrophobicContact CD2-SD 3.72Å; L119-M122 WeakPolarHBondContact O-CB 3.3Å; L119-M122 PolarHBondContact O-N 3.2Å; L119-S176 WeakPolarHBondContact CD1-O 3.1Å; L119-V178 HydrophobicContact CB-CG1 4.33Å; L119-V178 HydrophobicContact CD2-CG1 4.25Å; L119-V178 HydrophobicContact CD2-CG2 3.92Å; L119-I222 HydrophobicContact CD2-CD1 3.89Å; L119-I222 HydrophobicContact CD2-CG1 3.97Å; L119-I222 HydrophobicContact CD2-CG2 3.97Å; L119-I222 HydrophobicContact CG-CD1 4.49Å; L119-I222 HydrophobicContact CG-CG1 4.06Å; L119-I222 HydrophobicContact CG-CG2 4.27Å
120	R	98.3	Very high	98.4	Very high	105 Å²	105	47.6 Å²	47.6	40%	0.396	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-19.5	177.7	-69.7	175.8	178	-171.5	-3.5	114	R116 N117 F118 A150 K174 S176	R116-R120 WeakPolarHBondContact O-CG 3.44Å; R116-R120 PolarHBondContact O-N 2.87Å; N117-R120 PolarHBondContact O-N 2.88Å; F118-R120 PolarHBondContact O-N 2.97Å; R120-A150 HydrophobicContact CB-CB 4.31Å; R120-A150 HydrophobicContact CG-CB 3.92Å; R120-K174 PolarHBondContact NH2-O 3.4Å; R120-S176 PolarHBondContact NE-OG 3.2Å; R120-S176 PolarHBondContact NH2-OG 2.93Å
121	A	98.1	Very high	98.4	Very high	50 Å²	50	47.7 Å²	47.7	41%	0.413	24%	0.237	S	C	.	.	H	α-helix	trans	-90.3	-15.6	178	0	0	0	0	0	113	W74 N117 F118 L119	W74-A121 HydrophobicContact CH2-CB 3.84Å; W74-A121 HydrophobicContact CZ2-CB 4.41Å; N117-A121 PolarHBondContact O-N 3.28Å; N117-A121 VanDerWaalsContact O-N 3.13Å; F118-A121 WeakPolarHBondContact O-CB 3.26Å; F118-A121 PolarHBondContact O-N 3.28Å; L119-A121 PolarHBondContact O-N 3.35Å
122	M	98.2	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.			trans	-61	143.9	176.9	-73.2	171.4	174.1	0	0	112.2	W74 L76 F118 L119 I146 V178 I222	W74-M122 HydrophobicContact CB-CE 3.75Å; W74-M122 HydrophobicContact CD2-CE 3.6Å; W74-M122 HydrophobicContact CD2-CG 3.72Å; W74-M122 HydrophobicContact CE3-CE 3.86Å; W74-M122 HydrophobicContact CE3-CG 4.3Å; W74-M122 HydrophobicContact CG-CE 3.54Å; W74-M122 HydrophobicContact CG-CG 4.11Å; W74-M122 HydrophobicContact CH2-CG 4.32Å; W74-M122 HydrophobicContact CZ2-CB 4.34Å; W74-M122 HydrophobicContact CZ2-CG 3.73Å; L76-M122 HydrophobicContact CD1-CE 3.66Å; L76-M122 HydrophobicContact CG-CE 4.39Å; F118-M122 PolarHBondContact O-N 3.19Å; L119-M122 HydrophobicContact CD2-CE 3.96Å; L119-M122 HydrophobicContact CD2-SD 3.72Å; L119-M122 WeakPolarHBondContact O-CB 3.3Å; L119-M122 PolarHBondContact O-N 3.2Å; M122-I146 HydrophobicContact CB-CG1 4.19Å; M122-I146 HydrophobicContact CG-CD1 4.45Å; M122-I146 HydrophobicContact CG-CG1 4.4Å; M122-I146 HydrophobicContact SD-CD1 3.7Å; M122-I146 HydrophobicContact SD-CG1 4.27Å; M122-V178 HydrophobicContact SD-CG1 4.11Å; M122-V178 HydrophobicContact SD-CG2 4.07Å; M122-I222 HydrophobicContact CE-CG2 3.54Å
123	K	98.2	Very high	98.4	Very high	98 Å²	98	44.1 Å²	44.1	43%	0.426	22%	0.223	S	C	.	.			trans	-119.9	151.6	178.2	-60.9	-62.4	170.2	-169.2	0	112.6	G125 Q126 E149	K123-G125 PolarHBondContact O-N 3.15Å; K123-Q126 HydrophobicContact CB-CG 4.07Å; K123-Q126 WeakPolarHBondContact O-CB 3.38Å; K123-Q126 PolarHBondContact O-N 3.5Å; K123-Q126 VanDerWaalsContact O-N 3.12Å; K123-E149 WeakPolarHBondContact CA-OE1 3.49Å; K123-E149 WeakPolarHBondContact CD-OE1 3.45Å; K123-E149 IonicContact NZ-OE1 3.57Å; K123-E149 IonicContact NZ-OE2 3.4Å; K123-E149 PolarHBondContact NZ-OE2 3.35Å
124	L	98.4	Very high	98.3	Very high	105 Å²	105	43 Å²	43	55%	0.55	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	134.6	176.7	-67.7	178.1	0	0	0	111.1	Q126 V147 E149	L124-Q126 PolarHBondContact O-N 3.31Å; L124-V147 VanDerWaalsContact CD2-C 3.46Å; L124-V147 WeakPolarHBondContact CD2-O 3.35Å; L124-E149 HydrophobicContact CD2-CG 4.05Å; L124-E149 HydrophobicContact CG-CG 3.83Å; L124-E149 PolarHBondContact N-OE1 3.01Å
125	G	98.1	Very high	98.2	Very high	50 Å²	50	40.4 Å²	40.4	52%	0.515	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-13	179	0	0	0	0	0	115.3	K123 I146	K123-G125 PolarHBondContact O-N 3.15Å; G125-I146 PolarHBondContact N-O 3.12Å
126	Q	98.5	Very high	98.1	Very high	41 Å²	41	49.2 Å²	49.2	19%	0.192	25%	0.254	C	S	.	.			trans	-60.9	142.3	173.7	-72.7	-176.1	-30.4	0	0	110.7	K123 L124 K145 I146	K123-Q126 HydrophobicContact CB-CG 4.07Å; K123-Q126 WeakPolarHBondContact O-CB 3.38Å; K123-Q126 PolarHBondContact O-N 3.5Å; K123-Q126 VanDerWaalsContact O-N 3.12Å; L124-Q126 PolarHBondContact O-N 3.31Å; Q126-K145 VanDerWaalsContact O-CA 3.32Å; Q126-K145 WeakPolarHBondContact O-CA 3.41Å; Q126-I146 HydrophobicContact CB-CG1 4.5Å; Q126-I146 PolarHBondContact O-N 3.28Å
127	Q	98.6	Very high	98	Very high	65 Å²	65	54.5 Å²	54.5	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	155.7	-178.4	-69.8	-172.5	-20.4	0	0	111.5	W74 I143 V144 F230	W74-Q127 PolarHBondContact N-O 2.82Å; W74-Q127 VanDerWaalsContact N-O 3.14Å; Q127-I143 HydrophobicContact CB-CG2 4.18Å; Q127-I143 HydrophobicContact CG-CG2 4.31Å; Q127-V144 CarbonylContact C-O 3.5Å; Q127-V144 WeakPolarHBondContact CA-O 3.46Å; Q127-F230 HydrophobicContact CB-CE2 4.44Å; Q127-F230 HydrophobicContact CB-CZ 3.98Å
128	A	98.8	Very high	98	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.6	172.7	0	0	0	0	0	112.6	W74 L76 I143 V144	W74-A128 HydrophobicContact CB-CB 3.69Å; W74-A128 CarbonylContact O-C 3.46Å; W74-A128 WeakPolarHBondContact O-CA 3.34Å; W74-A128 WeakPolarHBondContact O-CB 3.4Å; L76-A128 HydrophobicContact CD1-CB 3.5Å; A128-I143 WeakPolarHBondContact O-CA 3.31Å; A128-V144 HydrophobicContact CB-CG2 3.92Å; A128-V144 PolarHBondContact N-O 2.84Å; A128-V144 PolarHBondContact O-N 2.66Å
129	F	98.9	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.8	166.7	-69.1	-54.3	0	0	0	110.8	W74 L75 L76 I140 I143 L225 F230 V233 L234	W74-F129 PolarHBondContact O-N 3.17Å; L75-F129 HydrophobicContact CG-CB 4.38Å; L76-F129 PolarHBondContact N-O 2.89Å; F129-I140 HydrophobicContact CB-CD1 4.16Å; F129-I140 HydrophobicContact CB-CG1 4.28Å; F129-I140 HydrophobicContact CB-CG2 3.88Å; F129-I140 HydrophobicContact CD1-CD1 4.46Å; F129-I140 HydrophobicContact CD1-CG2 3.54Å; F129-I140 HydrophobicContact CD2-CD1 3.93Å; F129-I140 HydrophobicContact CE1-CG2 4.3Å; F129-I140 HydrophobicContact CE2-CD1 4.45Å; F129-I140 HydrophobicContact CG-CD1 3.94Å; F129-I140 HydrophobicContact CG-CG1 4.49Å; F129-I140 HydrophobicContact CG-CG2 3.85Å; F129-I143 HydrophobicContact CD1-CG1 4.05Å; F129-I143 HydrophobicContact CE1-CD1 4.3Å; F129-I143 HydrophobicContact CE1-CG1 4.05Å; F129-L225 HydrophobicContact CD2-CD1 3.57Å; F129-L225 HydrophobicContact CE2-CD1 3.91Å; F129-F230 HydrophobicContact CD1-CE2 4.24Å; F129-F230 AromaticContact CD2-CD2 3.9Å; F129-F230 HydrophobicContact CD2-CD2 3.9Å; F129-F230 HydrophobicContact CD2-CE2 4Å; F129-F230 HydrophobicContact CE1-CD2 4.33Å; F129-F230 AromaticContact CE1-CE2 3.82Å; F129-F230 HydrophobicContact CE1-CE2 3.82Å; F129-F230 HydrophobicContact CE1-CZ 4.32Å; F129-F230 AromaticContact CE2-CD2 3.26Å; F129-F230 HydrophobicContact CE2-CD2 3.26Å; F129-F230 AromaticContact CE2-CE2 3.57Å; F129-F230 HydrophobicContact CE2-CE2 3.57Å; F129-F230 HydrophobicContact CE2-CG 4.11Å; F129-F230 HydrophobicContact CG-CE2 4.31Å; F129-F230 AromaticContact CZ-CD2 3.5Å; F129-F230 HydrophobicContact CZ-CD2 3.5Å; F129-F230 AromaticContact CZ-CE2 3.46Å; F129-F230 HydrophobicContact CZ-CE2 3.46Å; F129-F230 VanDerWaalsContact CZ-CE2 3.46Å; F129-F230 HydrophobicContact CZ-CG 4.19Å; F129-F230 HydrophobicContact CZ-CZ 4.12Å; F129-V233 HydrophobicContact CD2-CG1 4.21Å; F129-V233 HydrophobicContact CE1-CG1 3.97Å; F129-V233 HydrophobicContact CE2-CB 3.67Å; F129-V233 HydrophobicContact CE2-CG1 3.5Å; F129-V233 VanDerWaalsContact CE2-CG1 3.5Å; F129-V233 HydrophobicContact CE2-CG2 4.27Å; F129-V233 HydrophobicContact CZ-CB 3.71Å; F129-V233 HydrophobicContact CZ-CG1 3.37Å; F129-L234 HydrophobicContact CE1-CD2 3.75Å; F129-L234 HydrophobicContact CZ-CD2 3.87Å; F129-L234 HydrophobicContact CZ-CG 4.16Å
130	F	98.9	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.4	165.4	-163	-64.1	0	0	0	108	F92 I94 L97 W107 H132 V141 G142 V144	F92-F130 HydrophobicContact CD1-CE2 4.31Å; F92-F130 AromaticContact CD1-CZ 3.94Å; F92-F130 HydrophobicContact CD1-CZ 3.94Å; F92-F130 HydrophobicContact CE1-CE2 4.19Å; F92-F130 HydrophobicContact CE1-CZ 4.28Å; I94-F130 HydrophobicContact CB-CD1 4.12Å; I94-F130 HydrophobicContact CB-CD2 4.42Å; I94-F130 HydrophobicContact CB-CE1 4.2Å; I94-F130 HydrophobicContact CB-CE2 4.47Å; I94-F130 HydrophobicContact CB-CG 4.24Å; I94-F130 HydrophobicContact CB-CZ 4.37Å; I94-F130 HydrophobicContact CD1-CB 4.03Å; I94-F130 HydrophobicContact CD1-CG 4.21Å; I94-F130 HydrophobicContact CG1-CD2 4.29Å; I94-F130 HydrophobicContact CG1-CG 4.3Å; L97-F130 HydrophobicContact CB-CE2 4.36Å; L97-F130 HydrophobicContact CD2-CD2 4.06Å; L97-F130 HydrophobicContact CD2-CE2 4.01Å; W107-F130 AromaticContact CH2-CD2 3.8Å; W107-F130 HydrophobicContact CH2-CD2 3.8Å; W107-F130 HydrophobicContact CH2-CE1 4.47Å; W107-F130 AromaticContact CH2-CE2 3.46Å; W107-F130 HydrophobicContact CH2-CE2 3.46Å; W107-F130 VanDerWaalsContact CH2-CE2 3.46Å; W107-F130 HydrophobicContact CH2-CG 4.45Å; W107-F130 AromaticContact CH2-CZ 3.84Å; W107-F130 HydrophobicContact CH2-CZ 3.84Å; W107-F130 AromaticContact CZ3-CD2 3.95Å; W107-F130 HydrophobicContact CZ3-CD2 3.95Å; W107-F130 AromaticContact CZ3-CE2 3.56Å; W107-F130 HydrophobicContact CZ3-CE2 3.56Å; W107-F130 HydrophobicContact CZ3-CZ 4.29Å; F130-H132 AromaticContact CD1-CD2 3.71Å; F130-H132 AromaticContact CD1-NE2 3.92Å; F130-H132 AromaticContact CE1-CD2 3.52Å; F130-H132 AromaticContact CE1-NE2 3.6Å; F130-V141 HydrophobicContact CB-CG2 4.35Å; F130-V141 HydrophobicContact CD1-CG2 3.88Å; F130-V141 HydrophobicContact CG-CG2 4.45Å; F130-V141 WeakPolarHBondContact O-CG2 3.45Å; F130-V141 PolarHBondContact O-N 3.32Å; F130-V141 VanDerWaalsContact O-N 3.15Å; F130-G142 PolarHBondContact N-O 3.36Å; F130-V144 HydrophobicContact CB-CG1 4.33Å; F130-V144 HydrophobicContact CD2-CG1 3.94Å
131	Y	98.9	Very high	98	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.8	-176.5	-178.7	-81.5	0	0	0	110.6	L75 L76 K77 S78 G139 I140 L192 L214	L75-Y131 HydrophobicContact CD1-CD2 4.08Å; L75-Y131 HydrophobicContact CD1-CG 4.49Å; L75-Y131 HydrophobicContact CD2-CD2 4.39Å; L75-Y131 HydrophobicContact CD2-CG 4.06Å; L75-Y131 HydrophobicContact CG-CG 4.5Å; L76-Y131 PolarHBondContact O-N 2.73Å; K77-Y131 WeakPolarHBondContact CA-O 3.38Å; K77-Y131 HydrophobicContact CB-CD1 4.19Å; K77-Y131 HydrophobicContact CD-CD1 4.11Å; K77-Y131 HydrophobicContact CD-CE1 4.36Å; K77-Y131 HydrophobicContact CG-CD1 3.7Å; K77-Y131 HydrophobicContact CG-CE1 4.43Å; K77-Y131 HydrophobicContact CG-CG 4.22Å; S78-Y131 PolarHBondContact N-O 2.9Å; Y131-G139 CarbonylContact C-O 3.59Å; Y131-G139 WeakPolarHBondContact CA-O 3.37Å; Y131-I140 HydrophobicContact CD2-CG1 3.85Å; Y131-L192 WeakPolarHBondContact OH-CD1 3.34Å; Y131-L214 HydrophobicContact CD2-CD1 4.38Å; Y131-L214 HydrophobicContact CE2-CD1 3.94Å; Y131-L214 HydrophobicContact CE2-CD2 3.96Å
132	H	98.6	Very high	98	Very high	25 Å²	25	43.9 Å²	43.9	12%	0.116	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116.4	170.7	-78.9	-171.6	0	0	0	109.9	S78 P80 I94 F130 P138 G139 V141	S78-H132 WeakPolarHBondContact O-CA 3.42Å; P80-H132 WeakPolarHBondContact CB-ND1 3.36Å; P80-H132 HydrophobicContact CG-CB 3.85Å; I94-H132 PolarHBondContact N-NE2 3.37Å; F130-H132 AromaticContact CD1-CD2 3.71Å; F130-H132 AromaticContact CD1-NE2 3.92Å; F130-H132 AromaticContact CE1-CD2 3.52Å; F130-H132 AromaticContact CE1-NE2 3.6Å; H132-P138 VanDerWaalsContact O-CA 3.25Å; H132-P138 WeakPolarHBondContact O-CA 3.47Å; H132-P138 WeakPolarHBondContact O-CB 3.33Å; H132-G139 PolarHBondContact N-O 3.19Å; H132-G139 PolarHBondContact O-N 3.48Å; H132-G139 VanDerWaalsContact O-N 3.11Å; H132-V141 HydrophobicContact CB-CG1 4.38Å; H132-V141 WeakPolarHBondContact NE2-CG2 3.41Å
133	S	97.4	Very high	98.1	Very high	23 Å²	23	44 Å²	44	16%	0.161	23%	0.229	C	C	.	.			trans	-115.1	160.5	178.2	59.2	0	0	0	0	111.7	S78 E79 P80 C135	S78-S133 PolarHBondContact O-N 2.9Å; S78-S133 PolarHBondContact O-OG 3.39Å; E79-S133 WeakPolarHBondContact CA-O 3.24Å; P80-S133 WeakPolarHBondContact CD-O 3.4Å; S133-C135 VanDerWaalsContact C-N 3.29Å; S133-C135 PolarHBondContact O-N 3.34Å
134	N	95.9	Very high	98.1	Very high	103 Å²	103	39.3 Å²	39.3	55%	0.551	21%	0.209	S	C	*	.	S	Bend	trans	54	44.5	174.6	-163	44.7	0	0	0	113.4	E79 R83	E79-N134 HydrophobicContact CG-CB 3.98Å; E79-N134 PolarHBondContact OE2-ND2 3.3Å; R83-N134 WeakPolarHBondContact CD-ND2 3.34Å
135	C	96.4	Very high	98.1	Very high	22 Å²	22	38 Å²	38	15%	0.149	20%	0.199	C	C	.	.	S	Bend	trans	-137.7	171	178.3	55.5	0	0	0	0	109.5	P80 E81 S133 E137	P80-C135 HydrophobicContact CG-CB 3.52Å; E81-C135 HydrophobicContact CG-CB 3.89Å; E81-C135 WeakPolarHBondContact OE1-CA 3.45Å; E81-C135 VanDerWaalsContact OE1-CB 3.29Å; E81-C135 WeakPolarHBondContact OE1-CB 3.2Å; S133-C135 VanDerWaalsContact C-N 3.29Å; S133-C135 PolarHBondContact O-N 3.34Å; C135-E137 VanDerWaalsContact C-N 3.26Å; C135-E137 PolarHBondContact O-N 2.82Å; C135-E137 VanDerWaalsContact SG-C 3.6Å; C135-E137 PolarHBondContact SG-O 3.5Å; C135-E137 VanDerWaalsContact SG-O 3.33Å
136	K	96.1	Very high	98.1	Very high	186 Å²	186	35.7 Å²	35.7	81%	0.809	17%	0.174	S	C	*	.	S	Bend	trans	-59.1	-39.6	179.5	-68.1	-179.7	-178.7	179.1	0	112.6	E81 P138	E81-K136 PolarHBondContact OE1-N 2.82Å; K136-P138 WeakPolarHBondContact O-CD 3.48Å
137	E	96.1	Very high	98.2	Very high	146 Å²	146	36.2 Å²	36.2	68%	0.682	18%	0.18	S	C	*	.	S	Bend	trans	-120	82.3	-177.8	-62.6	-177.6	132.4	0	0	109.5	C135 F189	C135-E137 VanDerWaalsContact C-N 3.26Å; C135-E137 PolarHBondContact O-N 2.82Å; C135-E137 VanDerWaalsContact SG-C 3.6Å; C135-E137 PolarHBondContact SG-O 3.5Å; C135-E137 VanDerWaalsContact SG-O 3.33Å; E137-F189 HydrophobicContact CB-CE1 4.16Å; E137-F189 HydrophobicContact CB-CZ 4.24Å; E137-F189 WeakPolarHBondContact O-CZ 3.21Å
138	P	98.2	Very high	98.2	Very high	36 Å²	36	36.5 Å²	36.5	23%	0.234	18%	0.181	C	C	.	.			trans	-77.9	141.6	179.3	31.7	-34.2	0	0	0	110.9	H132 K136 L192	H132-P138 VanDerWaalsContact O-CA 3.25Å; H132-P138 WeakPolarHBondContact O-CA 3.47Å; H132-P138 WeakPolarHBondContact O-CB 3.33Å; K136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-L192 HydrophobicContact CB-CB 4.36Å; P138-L192 HydrophobicContact CB-CD2 4.44Å; P138-L192 HydrophobicContact CG-CB 4.05Å; P138-L192 HydrophobicContact CG-CD2 4.04Å; P138-L192 WeakPolarHBondContact O-CB 3.41Å; P138-L192 PolarHBondContact O-N 3.26Å
139	G	98.5	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-177.1	-178	0	0	0	0	0	114	Y131 H132 I190	Y131-G139 CarbonylContact C-O 3.59Å; Y131-G139 WeakPolarHBondContact CA-O 3.37Å; H132-G139 PolarHBondContact N-O 3.19Å; H132-G139 PolarHBondContact O-N 3.48Å; H132-G139 VanDerWaalsContact O-N 3.11Å; G139-I190 CarbonylContact C-O 3.58Å; G139-I190 VanDerWaalsContact CA-O 3.25Å; G139-I190 WeakPolarHBondContact CA-O 3.19Å
140	I	98.8	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130	177.1	-61.5	171.1	0	0	0	108.8	L75 F129 Y131 T186 F189 I190 I195 V233	L75-I140 HydrophobicContact CD1-CD1 4.26Å; L75-I140 HydrophobicContact CD1-CG1 4.48Å; F129-I140 HydrophobicContact CB-CD1 4.16Å; F129-I140 HydrophobicContact CB-CG1 4.28Å; F129-I140 HydrophobicContact CB-CG2 3.88Å; F129-I140 HydrophobicContact CD1-CD1 4.46Å; F129-I140 HydrophobicContact CD1-CG2 3.54Å; F129-I140 HydrophobicContact CD2-CD1 3.93Å; F129-I140 HydrophobicContact CE1-CG2 4.3Å; F129-I140 HydrophobicContact CE2-CD1 4.45Å; F129-I140 HydrophobicContact CG-CD1 3.94Å; F129-I140 HydrophobicContact CG-CG1 4.49Å; F129-I140 HydrophobicContact CG-CG2 3.85Å; Y131-I140 HydrophobicContact CD2-CG1 3.85Å; I140-T186 HydrophobicContact CG2-CG2 3.97Å; I140-F189 WeakPolarHBondContact O-CD2 3.35Å; I140-I190 HydrophobicContact CB-CB 4.26Å; I140-I190 PolarHBondContact N-O 2.93Å; I140-I190 PolarHBondContact O-N 3.16Å; I140-I190 VanDerWaalsContact O-N 3.12Å; I140-I195 HydrophobicContact CD1-CD1 3.71Å; I140-I195 HydrophobicContact CG1-CD1 4.05Å; I140-V233 HydrophobicContact CD1-CG1 3.56Å
141	V	98.6	Very high	98.1	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-16.8	-175.5	-65.5	0	0	0	0	113.7	I94 F130 H132 M185 T186 F189	I94-V141 HydrophobicContact CB-CG2 3.9Å; I94-V141 HydrophobicContact CD1-CG2 3.98Å; I94-V141 HydrophobicContact CG2-CB 4.25Å; I94-V141 HydrophobicContact CG2-CG2 3.73Å; F130-V141 HydrophobicContact CB-CG2 4.35Å; F130-V141 HydrophobicContact CD1-CG2 3.88Å; F130-V141 HydrophobicContact CG-CG2 4.45Å; F130-V141 WeakPolarHBondContact O-CG2 3.45Å; F130-V141 PolarHBondContact O-N 3.32Å; F130-V141 VanDerWaalsContact O-N 3.15Å; H132-V141 HydrophobicContact CB-CG1 4.38Å; H132-V141 WeakPolarHBondContact NE2-CG2 3.41Å; V141-M185 HydrophobicContact CB-CE 4.5Å; V141-M185 VanDerWaalsContact O-CE 3.3Å; V141-M185 WeakPolarHBondContact O-CE 3.45Å; V141-T186 PolarHBondContact O-N 2.97Å; V141-T186 PolarHBondContact O-OG1 2.91Å; V141-F189 HydrophobicContact CG1-CD2 3.75Å; V141-F189 HydrophobicContact CG1-CE2 3.77Å
142	G	98.6	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-177.3	-177.9	0	0	0	0	0	114	F130 R184	F130-G142 PolarHBondContact N-O 3.36Å; G142-R184 WeakPolarHBondContact CA-O 3.45Å
143	I	98.9	Very high	98.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.4	-175.8	-56.2	177.4	0	0	0	108.8	Q127 A128 F129 V183 R184 L234	Q127-I143 HydrophobicContact CB-CG2 4.18Å; Q127-I143 HydrophobicContact CG-CG2 4.31Å; A128-I143 WeakPolarHBondContact O-CA 3.31Å; F129-I143 HydrophobicContact CD1-CG1 4.05Å; F129-I143 HydrophobicContact CE1-CD1 4.3Å; F129-I143 HydrophobicContact CE1-CG1 4.05Å; I143-V183 HydrophobicContact CB-CB 4.43Å; I143-V183 HydrophobicContact CG2-CB 4.27Å; I143-V183 WeakPolarHBondContact O-CB 3.3Å; I143-V183 PolarHBondContact O-N 3.16Å; I143-R184 HydrophobicContact CB-CG 4.43Å; I143-R184 HydrophobicContact CD1-CG 4.41Å; I143-R184 VanDerWaalsContact CD1-CZ 3.5Å; I143-R184 VanDerWaalsContact CD1-NH2 3.29Å; I143-R184 PolarHBondContact N-O 2.95Å; I143-R184 PolarHBondContact O-N 2.77Å; I143-L234 HydrophobicContact CD1-CD2 3.7Å
144	V	98.9	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	166.1	169.9	-59.1	0	0	0	0	109.7	L97 Q127 A128 F130 V180 Q181	L97-V144 HydrophobicContact CD2-CG1 3.51Å; Q127-V144 CarbonylContact C-O 3.5Å; Q127-V144 WeakPolarHBondContact CA-O 3.46Å; A128-V144 HydrophobicContact CB-CG2 3.92Å; A128-V144 PolarHBondContact N-O 2.84Å; A128-V144 PolarHBondContact O-N 2.66Å; F130-V144 HydrophobicContact CB-CG1 4.33Å; F130-V144 HydrophobicContact CD2-CG1 3.94Å; V144-V180 HydrophobicContact CB-CB 4.25Å; V144-V180 HydrophobicContact CG2-CB 4.16Å; V144-V180 HydrophobicContact CG2-CG1 4.47Å; V144-Q181 CarbonylContact C-O 3.56Å; V144-Q181 WeakPolarHBondContact CA-O 3.5Å; V144-Q181 WeakPolarHBondContact CB-O 3.47Å
145	K	98.8	Very high	98.2	Very high	77 Å²	77	41.3 Å²	41.3	34%	0.335	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.5	170.6	66.8	-179.4	179.9	-177.5	0	110.9	Q126 V147 V180 Q181 V183	Q126-K145 VanDerWaalsContact O-CA 3.32Å; Q126-K145 WeakPolarHBondContact O-CA 3.41Å; K145-V147 HydrophobicContact CD-CG1 4.5Å; K145-V147 HydrophobicContact CG-CG1 4.11Å; K145-V147 PolarHBondContact O-N 3.11Å; K145-V180 CarbonylContact O-C 3.57Å; K145-V180 VanDerWaalsContact O-CA 3.28Å; K145-V180 WeakPolarHBondContact O-CA 3.42Å; K145-Q181 HydrophobicContact CG-CB 4.3Å; K145-Q181 PolarHBondContact N-O 3.33Å; K145-Q181 PolarHBondContact O-N 3.28Å; K145-V183 HydrophobicContact CB-CG2 3.81Å; K145-V183 HydrophobicContact CD-CG2 4.02Å; K145-V183 HydrophobicContact CG-CG2 3.77Å
146	I	98.8	Very high	98.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.9	174.9	-50.2	-53	0	0	0	109.3	M122 G125 Q126 K148 V178 V180	M122-I146 HydrophobicContact CB-CG1 4.19Å; M122-I146 HydrophobicContact CG-CD1 4.45Å; M122-I146 HydrophobicContact CG-CG1 4.4Å; M122-I146 HydrophobicContact SD-CD1 3.7Å; M122-I146 HydrophobicContact SD-CG1 4.27Å; G125-I146 PolarHBondContact N-O 3.12Å; Q126-I146 HydrophobicContact CB-CG1 4.5Å; Q126-I146 PolarHBondContact O-N 3.28Å; I146-K148 WeakPolarHBondContact CG2-O 3.47Å; I146-V178 HydrophobicContact CD1-CG2 4.25Å; I146-V178 HydrophobicContact CG2-CB 4.49Å; I146-V180 HydrophobicContact CD1-CG1 3.79Å
147	V	98.8	Very high	98.4	Very high	53 Å²	53	34 Å²	34	32%	0.321	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-8.5	177.5	-63.7	0	0	0	0	113.1	T104 L124 K145 D179 Q181	T104-V147 HydrophobicContact CG2-CG2 3.71Å; L124-V147 VanDerWaalsContact CD2-C 3.46Å; L124-V147 WeakPolarHBondContact CD2-O 3.35Å; K145-V147 HydrophobicContact CD-CG1 4.5Å; K145-V147 HydrophobicContact CG-CG1 4.11Å; K145-V147 PolarHBondContact O-N 3.11Å; V147-D179 HydrophobicContact CG2-CB 3.8Å; V147-D179 PolarHBondContact N-O 3.49Å; V147-Q181 HydrophobicContact CB-CB 4.49Å; V147-Q181 HydrophobicContact CG1-CB 3.5Å; V147-Q181 HydrophobicContact CG2-CB 4.16Å
148	K	98.8	Very high	98.4	Very high	70 Å²	70	30.9 Å²	30.9	30%	0.304	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	125.9	168.8	-167.1	179.1	176.3	-172.7	0	110.4	I146 Y151 V178 D179	I146-K148 WeakPolarHBondContact CG2-O 3.47Å; K148-Y151 HydrophobicContact CD-CD1 3.88Å; K148-Y151 HydrophobicContact CD-CE1 3.64Å; K148-Y151 HydrophobicContact CG-CD1 4.2Å; K148-Y151 HydrophobicContact CG-CE1 4.25Å; K148-V178 WeakPolarHBondContact O-CB 3.39Å; K148-D179 HydrophobicContact CB-CB 3.59Å; K148-D179 WeakPolarHBondContact CD-OD2 3.33Å; K148-D179 PolarHBondContact N-O 2.88Å; K148-D179 PolarHBondContact O-N 2.81Å; K148-D179 VanDerWaalsContact O-N 3.12Å
149	E	98.7	Very high	98.3	Very high	69 Å²	69	36.3 Å²	36.3	32%	0.322	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	171.9	175.4	-56.9	-162.9	177.4	0	0	111.8	K123 L124 Y151	K123-E149 WeakPolarHBondContact CA-OE1 3.49Å; K123-E149 WeakPolarHBondContact CD-OE1 3.45Å; K123-E149 IonicContact NZ-OE1 3.57Å; K123-E149 IonicContact NZ-OE2 3.4Å; K123-E149 PolarHBondContact NZ-OE2 3.35Å; L124-E149 HydrophobicContact CD2-CG 4.05Å; L124-E149 HydrophobicContact CG-CG 3.83Å; L124-E149 PolarHBondContact N-OE1 3.01Å; E149-Y151 WeakPolarHBondContact O-CD1 3.25Å; E149-Y151 PolarHBondContact O-N 3.4Å
150	A	98.6	Very high	98.1	Very high	36 Å²	36	43.9 Å²	43.9	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.4	-170.8	0	0	0	0	0	114.1	R120 M177 V178	R120-A150 HydrophobicContact CB-CB 4.31Å; R120-A150 HydrophobicContact CG-CB 3.92Å; A150-M177 CarbonylContact C-O 3.51Å; A150-M177 VanDerWaalsContact CA-O 3.28Å; A150-M177 WeakPolarHBondContact CA-O 3.18Å; A150-V178 HydrophobicContact CB-CG1 4.28Å
151	Y	98.7	Very high	97.9	Very high	26 Å²	26	45 Å²	45	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	166.9	174.1	66	-78.3	0	0	0	110.2	W3 F106 K148 E149 D153 S176 M177 D179	W3-Y151 HydrophobicContact CH2-CD2 4.35Å; W3-Y151 AromaticContact CH2-CE2 3.83Å; W3-Y151 HydrophobicContact CH2-CE2 3.83Å; W3-Y151 AromaticContact CZ3-CE2 3.87Å; W3-Y151 HydrophobicContact CZ3-CE2 3.87Å; F106-Y151 WeakPolarHBondContact CB-OH 3.48Å; K148-Y151 HydrophobicContact CD-CD1 3.88Å; K148-Y151 HydrophobicContact CD-CE1 3.64Å; K148-Y151 HydrophobicContact CG-CD1 4.2Å; K148-Y151 HydrophobicContact CG-CE1 4.25Å; E149-Y151 WeakPolarHBondContact O-CD1 3.25Å; E149-Y151 PolarHBondContact O-N 3.4Å; Y151-D153 PolarHBondContact O-N 3.14Å; Y151-S176 CarbonylContact O-C 3.52Å; Y151-S176 WeakPolarHBondContact O-CA 3.25Å; Y151-M177 HydrophobicContact CD1-CG 4.42Å; Y151-M177 VanDerWaalsContact CD1-O 3.3Å; Y151-M177 WeakPolarHBondContact CD1-O 3.37Å; Y151-M177 HydrophobicContact CD2-CE 4.01Å; Y151-M177 HydrophobicContact CD2-CG 4.42Å; Y151-M177 HydrophobicContact CE1-CG 3.97Å; Y151-M177 HydrophobicContact CE2-CE 3.16Å; Y151-M177 HydrophobicContact CE2-CG 4.01Å; Y151-M177 HydrophobicContact CE2-SD 4.37Å; Y151-M177 PolarHBondContact N-O 3.34Å; Y151-M177 PolarHBondContact O-N 2.98Å; Y151-M177 WeakPolarHBondContact OH-CE 3.14Å; Y151-D179 VanDerWaalsContact CE1-OD1 3.28Å; Y151-D179 WeakPolarHBondContact CE1-OD1 3.48Å; Y151-D179 VanDerWaalsContact CZ-OD1 3.31Å; Y151-D179 PolarHBondContact OH-OD1 2.91Å
152	P	98.7	Very high	97.8	Very high	66 Å²	66	44.5 Å²	44.5	43%	0.429	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.1	-178.8	-29	37.7	0	0	0	113	H154 P173	P152-H154 PolarHBondContact O-N 3.16Å; P152-P173 HydrophobicContact CB-CB 3.82Å; P152-P173 HydrophobicContact CB-CG 3.79Å; P152-P173 HydrophobicContact CG-CB 4.21Å; P152-P173 HydrophobicContact CG-CG 3.84Å
153	D	98.6	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.			trans	-71.6	113.3	173.7	179.7	-10	0	0	0	109.9	G109 R111 Y151 T155 Q156 W175 M177	G109-D153 PolarHBondContact N-OD2 3.18Å; R111-D153 IonicContact CZ-OD2 3.39Å; R111-D153 IonicContact NH1-OD2 2.7Å; R111-D153 PolarHBondContact NH1-OD2 2.95Å; R111-D153 IonicContact NH2-OD2 3.45Å; R111-D153 PolarHBondContact NH2-OD2 3.32Å; Y151-D153 PolarHBondContact O-N 3.14Å; D153-T155 PolarHBondContact O-N 3.06Å; D153-T155 WeakPolarHBondContact OD1-CB 3.28Å; D153-T155 PolarHBondContact OD1-N 2.55Å; D153-T155 PolarHBondContact OD1-OG1 3.12Å; D153-T155 PolarHBondContact OD2-OG1 2.85Å; D153-T155 VanDerWaalsContact OD2-OG1 3.08Å; D153-Q156 WeakPolarHBondContact O-CG 3.29Å; D153-Q156 PolarHBondContact O-N 2.84Å; D153-Q156 PolarHBondContact O-NE2 2.89Å; D153-W175 HydrophobicContact CB-CB 4.19Å; D153-W175 PolarHBondContact N-O 3.05Å; D153-W175 VanDerWaalsContact N-O 3.16Å; D153-M177 HydrophobicContact CB-CB 4.21Å; D153-M177 HydrophobicContact CB-CG 4.14Å; D153-M177 HydrophobicContact CB-SD 4.1Å
154	H	98.1	Very high	97.6	Very high	58 Å²	58	49.2 Å²	49.2	27%	0.269	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67.8	-24.2	-176.7	61.3	60.6	0	0	0	113.2	W3 F106 P152 Q156 F157 M177	W3-H154 AromaticContact CG-CD2 3.79Å; F106-H154 AromaticContact CZ-NE2 3.99Å; P152-H154 PolarHBondContact O-N 3.16Å; H154-Q156 PolarHBondContact O-N 2.83Å; H154-F157 PolarHBondContact O-N 3.19Å; H154-M177 WeakPolarHBondContact CD2-CE 3.43Å
155	T	97.6	Very high	97.6	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.037	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.8	-24.3	-178.3	65.2	0	0	0	0	112.6	D108 R111 D153 F157 D158	D108-T155 HydrophobicContact CB-CG2 4.1Å; D108-T155 WeakPolarHBondContact OD2-CG2 3.36Å; R111-T155 PolarHBondContact NH2-OG1 3.31Å; D153-T155 PolarHBondContact O-N 3.06Å; D153-T155 WeakPolarHBondContact OD1-CB 3.28Å; D153-T155 PolarHBondContact OD1-N 2.55Å; D153-T155 PolarHBondContact OD1-OG1 3.12Å; D153-T155 PolarHBondContact OD2-OG1 2.85Å; D153-T155 VanDerWaalsContact OD2-OG1 3.08Å; T155-F157 PolarHBondContact O-N 2.91Å; T155-F157 VanDerWaalsContact O-N 3.08Å; T155-D158 PolarHBondContact O-N 2.89Å
156	Q	98.3	Very high	97.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64	-17.8	179.1	81.3	-165.6	-74.5	0	0	113.4	D153 H154 Y164 D165 S168 W175	D153-Q156 WeakPolarHBondContact O-CG 3.29Å; D153-Q156 PolarHBondContact O-N 2.84Å; D153-Q156 PolarHBondContact O-NE2 2.89Å; H154-Q156 PolarHBondContact O-N 2.83Å; Q156-Y164 WeakPolarHBondContact O-CD2 3.32Å; Q156-D165 PolarHBondContact O-N 2.79Å; Q156-S168 PolarHBondContact OE1-OG 3.36Å; Q156-W175 HydrophobicContact CB-CB 4.38Å; Q156-W175 HydrophobicContact CB-CG 4.47Å; Q156-W175 PolarHBondContact NE2-O 3.4Å
157	F	98.1	Very high	97.5	Very high	55 Å²	55	54.2 Å²	54.2	24%	0.241	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-102.6	-8.6	-179.1	-52.3	-60.7	0	0	0	113.8	H154 T155 K170 P173	H154-F157 PolarHBondContact O-N 3.19Å; T155-F157 PolarHBondContact O-N 2.91Å; T155-F157 VanDerWaalsContact O-N 3.08Å; F157-K170 HydrophobicContact CD1-CG 4.07Å; F157-K170 HydrophobicContact CD2-CG 4.48Å; F157-K170 HydrophobicContact CE1-CG 4Å; F157-K170 HydrophobicContact CE2-CG 4.41Å; F157-K170 HydrophobicContact CG-CG 4.31Å; F157-K170 HydrophobicContact CZ-CG 4.16Å; F157-P173 HydrophobicContact CZ-CB 3.83Å; F157-P173 HydrophobicContact CZ-CG 3.93Å
158	D	96.4	Very high	97.4	Very high	80 Å²	80	52.3 Å²	52.3	43%	0.428	27%	0.271	S	S	.	.			trans	-92.2	110.5	-179.6	-176.7	-2.9	0	0	0	110.3	T155 K160 D161 Y164	T155-D158 PolarHBondContact O-N 2.89Å; D158-K160 PolarHBondContact O-N 3.1Å; D158-K160 WeakPolarHBondContact OD1-CB 3.46Å; D158-K160 PolarHBondContact OD1-N 3.05Å; D158-D161 HydrophobicContact CB-CB 4.07Å; D158-D161 PolarHBondContact O-N 2.79Å; D158-Y164 VanDerWaalsContact O-CB 3.28Å; D158-Y164 WeakPolarHBondContact O-CB 3.37Å
159	Q	96	Very high	97.3	Very high	151 Å²	151	57.7 Å²	57.7	71%	0.706	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	179.4	-69.8	-179.2	10.9	0	0	114.2	Y164	Q159-Y164 HydrophobicContact CG-CD1 4.35Å; Q159-Y164 HydrophobicContact CG-CD2 4.15Å; Q159-Y164 HydrophobicContact CG-CE1 3.88Å; Q159-Y164 HydrophobicContact CG-CE2 3.67Å; Q159-Y164 HydrophobicContact CG-CG 4.47Å
160	K	93.5	Very high	97.1	Very high	159 Å²	159	61.9 Å²	61.9	69%	0.691	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-12.9	179.1	-61	178.7	-177.6	176.6	0	112.6	D158	D158-K160 PolarHBondContact O-N 3.1Å; D158-K160 WeakPolarHBondContact OD1-CB 3.46Å; D158-K160 PolarHBondContact OD1-N 3.05Å
161	D	95.5	Very high	97	Very high	23 Å²	23	67.9 Å²	67.9	12%	0.123	33%	0.329	C	S	.	.	S	Bend	trans	-80.2	141.6	177.5	-168.5	-81.6	0	0	0	110.4	R8 D158 H163 Y164	R8-D161 IonicContact NH1-OD1 3.48Å; R8-D161 IonicContact NH1-OD2 3.05Å; R8-D161 PolarHBondContact NH1-OD2 3.39Å; D158-D161 HydrophobicContact CB-CB 4.07Å; D158-D161 PolarHBondContact O-N 2.79Å; D161-H163 PolarHBondContact O-N 2.67Å; D161-H163 VanDerWaalsContact O-N 3.08Å; D161-H163 WeakPolarHBondContact OD1-CB 3.42Å; D161-H163 IonicContact OD1-CE1 3.96Å; D161-H163 IonicContact OD1-CG 3.51Å; D161-H163 PolarHBondContact OD1-N 3.19Å; D161-H163 IonicContact OD1-ND1 2.67Å; D161-H163 PolarHBondContact OD1-ND1 2.89Å; D161-Y164 WeakPolarHBondContact O-CB 3.41Å; D161-Y164 PolarHBondContact O-N 3.48Å; D161-Y164 VanDerWaalsContact O-N 3.1Å
162	P	95.5	Very high	96.8	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.019	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.2	177.6	-27.4	36.3	0	0	0	113.8	E85 K86 V88 M90	E85-P162 HydrophobicContact CB-CB 4.24Å; E85-P162 HydrophobicContact CG-CB 4.13Å; E85-P162 VanDerWaalsContact O-CG 3.29Å; E85-P162 WeakPolarHBondContact O-CG 3.29Å; K86-P162 HydrophobicContact CB-CB 4.49Å; K86-P162 WeakPolarHBondContact CE-O 3.36Å; K86-P162 PolarHBondContact NZ-O 2.75Å; V88-P162 HydrophobicContact CB-CG 3.5Å; V88-P162 VanDerWaalsContact CB-CG 3.5Å; V88-P162 HydrophobicContact CG1-CG 4Å; V88-P162 HydrophobicContact CG2-CG 3.79Å; M90-P162 HydrophobicContact SD-CG 4.35Å
163	H	96.4	Very high	96.8	Very high	21 Å²	21	70.8 Å²	70.8	10%	0.097	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	19.5	-175.9	-40.3	87	0	0	0	113.1	M90 G109 R111 D161 D165	M90-H163 WeakPolarHBondContact CE-CE1 3.3Å; M90-H163 VanDerWaalsContact CE-NE2 3.26Å; M90-H163 WeakPolarHBondContact CE-NE2 3.21Å; M90-H163 VanDerWaalsContact SD-CE1 3.55Å; G109-H163 PolarHBondContact O-CD2 2.85Å; R111-H163 HydrophobicContact CG-CB 4.22Å; R111-H163 VanDerWaalsContact CZ-CB 3.46Å; R111-H163 VanDerWaalsContact CZ-O 3.26Å; R111-H163 PolarHBondContact NE-O 3.3Å; R111-H163 PolarHBondContact NH2-O 2.86Å; D161-H163 PolarHBondContact O-N 2.67Å; D161-H163 VanDerWaalsContact O-N 3.08Å; D161-H163 WeakPolarHBondContact OD1-CB 3.42Å; D161-H163 IonicContact OD1-CE1 3.96Å; D161-H163 IonicContact OD1-CG 3.51Å; D161-H163 PolarHBondContact OD1-N 3.19Å; D161-H163 IonicContact OD1-ND1 2.67Å; D161-H163 PolarHBondContact OD1-ND1 2.89Å; H163-D165 PolarHBondContact O-N 2.89Å
164	Y	97.6	Very high	96.8	Very high	79 Å²	79	73.8 Å²	73.8	31%	0.31	36%	0.357	S	S	.	.			trans	-51	136	168.1	179.2	-120.4	0	0	0	111.5	Q156 D158 Q159 D161	Q156-Y164 WeakPolarHBondContact O-CD2 3.32Å; D158-Y164 VanDerWaalsContact O-CB 3.28Å; D158-Y164 WeakPolarHBondContact O-CB 3.37Å; Q159-Y164 HydrophobicContact CG-CD1 4.35Å; Q159-Y164 HydrophobicContact CG-CD2 4.15Å; Q159-Y164 HydrophobicContact CG-CE1 3.88Å; Q159-Y164 HydrophobicContact CG-CE2 3.67Å; Q159-Y164 HydrophobicContact CG-CG 4.47Å; D161-Y164 WeakPolarHBondContact O-CB 3.41Å; D161-Y164 PolarHBondContact O-N 3.48Å; D161-Y164 VanDerWaalsContact O-N 3.1Å
165	D	97.8	Very high	96.8	Very high	28 Å²	28	71.5 Å²	71.5	15%	0.15	35%	0.346	C	S	.	.			trans	-129.2	102.2	173.2	-176.2	-11.2	0	0	0	109.8	Q156 H163 S167 S168 W175	Q156-D165 PolarHBondContact O-N 2.79Å; H163-D165 PolarHBondContact O-N 2.89Å; D165-S167 PolarHBondContact O-N 2.95Å; D165-S167 WeakPolarHBondContact OD1-CA 3.29Å; D165-S167 WeakPolarHBondContact OD1-CB 3.4Å; D165-S167 PolarHBondContact OD1-N 3.05Å; D165-S167 PolarHBondContact OD1-OG 3.27Å; D165-S168 PolarHBondContact O-N 2.74Å; D165-W175 PolarHBondContact OD2-NE1 3.13Å
166	S	97.4	Very high	96.8	Very high	96 Å²	96	71.6 Å²	71.6	67%	0.671	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.1	179	59	0	0	0	0	114
167	S	97.7	Very high	96.9	Very high	59 Å²	59	71.6 Å²	71.6	41%	0.413	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.1	-179.6	76	0	0	0	0	113.1	D165 K174	D165-S167 PolarHBondContact O-N 2.95Å; D165-S167 WeakPolarHBondContact OD1-CA 3.29Å; D165-S167 WeakPolarHBondContact OD1-CB 3.4Å; D165-S167 PolarHBondContact OD1-N 3.05Å; D165-S167 PolarHBondContact OD1-OG 3.27Å; S167-K174 WeakPolarHBondContact O-CE 3.49Å; S167-K174 PolarHBondContact O-NZ 2.98Å; S167-K174 PolarHBondContact OG-NZ 2.9Å
168	S	97.1	Very high	96.9	Very high	13 Å²	13	69 Å²	69	9%	0.091	34%	0.335	C	S	.	.			trans	-87.6	135.2	174.9	-166	0	0	0	0	111.7	Q156 D165 K174	Q156-S168 PolarHBondContact OE1-OG 3.36Å; D165-S168 PolarHBondContact O-N 2.74Å; S168-K174 PolarHBondContact OG-N 2.92Å
169	R	96.2	Very high	97	Very high	184 Å²	184	66.5 Å²	66.5	69%	0.694	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-112.9	146.3	-177.1	-60	-173.3	-174.8	-177.5	0.9	110.3	E171 N172 P173	R169-E171 WeakPolarHBondContact CB-OE2 3.34Å; R169-E171 PolarHBondContact O-N 3.11Å; R169-N172 CarbonylContact O-C 3.1Å; R169-N172 PolarHBondContact O-N 3.33Å; R169-P173 WeakPolarHBondContact O-CA 3.25Å; R169-P173 VanDerWaalsContact O-N 3.11Å
170	K	95.1	Very high	97.2	Very high	156 Å²	156	59.3 Å²	59.3	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-29.8	-178.1	-71.8	-176.2	179.5	177.9	0	112.4	F157 N172 P173	F157-K170 HydrophobicContact CD1-CG 4.07Å; F157-K170 HydrophobicContact CD2-CG 4.48Å; F157-K170 HydrophobicContact CE1-CG 4Å; F157-K170 HydrophobicContact CE2-CG 4.41Å; F157-K170 HydrophobicContact CG-CG 4.31Å; F157-K170 HydrophobicContact CZ-CG 4.16Å; K170-N172 VanDerWaalsContact C-N 3.32Å; K170-P173 WeakPolarHBondContact O-CD 3.42Å; K170-P173 WeakPolarHBondContact O-CG 3.4Å
171	E	96.1	Very high	97.4	Very high	163 Å²	163	54.1 Å²	54.1	76%	0.762	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-27.2	179.9	-55.6	69.8	-145.4	0	0	111.8	R169	R169-E171 WeakPolarHBondContact CB-OE2 3.34Å; R169-E171 PolarHBondContact O-N 3.11Å
172	N	95.7	Very high	97.6	Very high	129 Å²	129	54.4 Å²	54.4	69%	0.69	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-144.5	77.4	175.8	-173	18.4	0	0	0	110.8	R169 K170 K174	R169-N172 CarbonylContact O-C 3.1Å; R169-N172 PolarHBondContact O-N 3.33Å; K170-N172 VanDerWaalsContact C-N 3.32Å; N172-K174 PolarHBondContact O-N 2.91Å
173	P	97.6	Very high	97.7	Very high	24 Å²	24	57 Å²	57	16%	0.156	28%	0.283	C	S	.	.			trans	-62.5	126.5	-175.1	-25.3	37	0	0	0	112.2	P152 F157 R169 K170	P152-P173 HydrophobicContact CB-CB 3.82Å; P152-P173 HydrophobicContact CB-CG 3.79Å; P152-P173 HydrophobicContact CG-CB 4.21Å; P152-P173 HydrophobicContact CG-CG 3.84Å; F157-P173 HydrophobicContact CZ-CB 3.83Å; F157-P173 HydrophobicContact CZ-CG 3.93Å; R169-P173 WeakPolarHBondContact O-CA 3.25Å; R169-P173 VanDerWaalsContact O-N 3.11Å; K170-P173 WeakPolarHBondContact O-CD 3.42Å; K170-P173 WeakPolarHBondContact O-CG 3.4Å
174	K	98.3	Very high	97.8	Very high	62 Å²	62	60.2 Å²	60.2	27%	0.27	29%	0.294	S	S	.	.	S	Bend	trans	-67.9	-39.9	179.4	-71.6	-174.5	176.3	-175.5	0	112.6	R116 R120 S167 S168 N172	R116-K174 WeakPolarHBondContact CD-O 3.37Å; R116-K174 PolarHBondContact NH1-O 3.36Å; R120-K174 PolarHBondContact NH2-O 3.4Å; S167-K174 WeakPolarHBondContact O-CE 3.49Å; S167-K174 PolarHBondContact O-NZ 2.98Å; S167-K174 PolarHBondContact OG-NZ 2.9Å; S168-K174 PolarHBondContact OG-N 2.92Å; N172-K174 PolarHBondContact O-N 2.91Å
175	W	98.8	Very high	97.9	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.038	30%	0.296	C	S	.	.			trans	-106.6	147.6	-170.8	-54.1	108.3	0	0	0	111.7	R111 Y113 R116 D153 Q156 D165	R111-W175 VanDerWaalsContact CA-CZ3 3.48Å; R111-W175 HydrophobicContact CB-CH2 4.35Å; R111-W175 HydrophobicContact CB-CZ2 4.3Å; R111-W175 VanDerWaalsContact CD-CE2 3.41Å; R111-W175 WeakPolarHBondContact O-CH2 3.34Å; Y113-W175 HydrophobicContact CD1-CH2 4.21Å; Y113-W175 HydrophobicContact CD1-CZ3 4.32Å; Y113-W175 HydrophobicContact CD2-CH2 4.25Å; Y113-W175 HydrophobicContact CE1-CH2 4.1Å; Y113-W175 HydrophobicContact CE2-CH2 4.14Å; Y113-W175 HydrophobicContact CG-CH2 4.28Å; R116-W175 HydrophobicContact CB-CE3 4.26Å; R116-W175 HydrophobicContact CB-CZ3 4.33Å; R116-W175 HydrophobicContact CG-CE3 4.38Å; D153-W175 HydrophobicContact CB-CB 4.19Å; D153-W175 PolarHBondContact N-O 3.05Å; D153-W175 VanDerWaalsContact N-O 3.16Å; Q156-W175 HydrophobicContact CB-CB 4.38Å; Q156-W175 HydrophobicContact CB-CG 4.47Å; Q156-W175 PolarHBondContact NE2-O 3.4Å; D165-W175 PolarHBondContact OD2-NE1 3.13Å
176	S	98.8	Very high	97.9	Very high	8 Å²	8	59.1 Å²	59.1	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.2	-178.2	-59.4	0	0	0	0	109.4	L119 R120 Y151	L119-S176 WeakPolarHBondContact CD1-O 3.1Å; R120-S176 PolarHBondContact NE-OG 3.2Å; R120-S176 PolarHBondContact NH2-OG 2.93Å; Y151-S176 CarbonylContact O-C 3.52Å; Y151-S176 WeakPolarHBondContact O-CA 3.25Å
177	M	98.8	Very high	97.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.4	171.6	63.5	-172.4	176.6	0	0	109.8	F106 W107 D108 A150 Y151 D153 H154	F106-M177 HydrophobicContact CB-CE 4.47Å; F106-M177 HydrophobicContact CB-SD 4.02Å; F106-M177 HydrophobicContact CD2-SD 3.98Å; F106-M177 HydrophobicContact CG-SD 4.28Å; W107-M177 WeakPolarHBondContact O-CB 3.49Å; D108-M177 HydrophobicContact CB-SD 3.81Å; A150-M177 CarbonylContact C-O 3.51Å; A150-M177 VanDerWaalsContact CA-O 3.28Å; A150-M177 WeakPolarHBondContact CA-O 3.18Å; Y151-M177 HydrophobicContact CD1-CG 4.42Å; Y151-M177 VanDerWaalsContact CD1-O 3.3Å; Y151-M177 WeakPolarHBondContact CD1-O 3.37Å; Y151-M177 HydrophobicContact CD2-CE 4.01Å; Y151-M177 HydrophobicContact CD2-CG 4.42Å; Y151-M177 HydrophobicContact CE1-CG 3.97Å; Y151-M177 HydrophobicContact CE2-CE 3.16Å; Y151-M177 HydrophobicContact CE2-CG 4.01Å; Y151-M177 HydrophobicContact CE2-SD 4.37Å; Y151-M177 PolarHBondContact N-O 3.34Å; Y151-M177 PolarHBondContact O-N 2.98Å; Y151-M177 WeakPolarHBondContact OH-CE 3.14Å; D153-M177 HydrophobicContact CB-CB 4.21Å; D153-M177 HydrophobicContact CB-CG 4.14Å; D153-M177 HydrophobicContact CB-SD 4.1Å; H154-M177 WeakPolarHBondContact CD2-CE 3.43Å
178	V	98.8	Very high	97.9	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	165.3	175.9	-64	0	0	0	0	108.8	F106 W107 L119 M122 I146 K148 A150 V180	F106-V178 CarbonylContact C-O 3.59Å; F106-V178 WeakPolarHBondContact CA-O 3.39Å; W107-V178 HydrophobicContact CB-CG2 3.98Å; W107-V178 PolarHBondContact N-O 2.89Å; L119-V178 HydrophobicContact CB-CG1 4.33Å; L119-V178 HydrophobicContact CD2-CG1 4.25Å; L119-V178 HydrophobicContact CD2-CG2 3.92Å; M122-V178 HydrophobicContact SD-CG1 4.11Å; M122-V178 HydrophobicContact SD-CG2 4.07Å; I146-V178 HydrophobicContact CD1-CG2 4.25Å; I146-V178 HydrophobicContact CG2-CB 4.49Å; K148-V178 WeakPolarHBondContact O-CB 3.39Å; A150-V178 HydrophobicContact CB-CG1 4.28Å; V178-V180 HydrophobicContact CG2-CG1 4.02Å
179	D	98.9	Very high	97.9	Very high	28 Å²	28	63 Å²	63	15%	0.15	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.6	166.1	-59.5	-12.7	0	0	0	109.8	T104 T105 F106 V147 K148 Y151	T104-D179 HydrophobicContact CG2-CB 4.41Å; T105-D179 CarbonylContact O-C 3.58Å; T105-D179 WeakPolarHBondContact O-CA 3.22Å; F106-D179 WeakPolarHBondContact CA-OD1 3.32Å; F106-D179 VanDerWaalsContact CB-OD1 3.29Å; F106-D179 WeakPolarHBondContact CB-OD1 3.29Å; V147-D179 HydrophobicContact CG2-CB 3.8Å; V147-D179 PolarHBondContact N-O 3.49Å; K148-D179 HydrophobicContact CB-CB 3.59Å; K148-D179 WeakPolarHBondContact CD-OD2 3.33Å; K148-D179 PolarHBondContact N-O 2.88Å; K148-D179 PolarHBondContact O-N 2.81Å; K148-D179 VanDerWaalsContact O-N 3.12Å; Y151-D179 VanDerWaalsContact CE1-OD1 3.28Å; Y151-D179 WeakPolarHBondContact CE1-OD1 3.48Å; Y151-D179 VanDerWaalsContact CZ-OD1 3.31Å; Y151-D179 PolarHBondContact OH-OD1 2.91Å
180	V	98.9	Very high	98	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.5	177.8	-52.5	0	0	0	0	110.4	L76 T104 T105 W107 V144 K145 I146 V178	L76-V180 HydrophobicContact CD2-CG1 3.95Å; T104-V180 VanDerWaalsContact CA-O 3.28Å; T104-V180 WeakPolarHBondContact CA-O 3.49Å; T104-V180 WeakPolarHBondContact CG2-O 3.28Å; T105-V180 HydrophobicContact CG2-CG2 3.93Å; T105-V180 PolarHBondContact N-O 3.2Å; T105-V180 PolarHBondContact O-N 3.32Å; W107-V180 HydrophobicContact CE3-CG1 4.36Å; W107-V180 HydrophobicContact CE3-CG2 3.56Å; W107-V180 HydrophobicContact CZ3-CG2 3.9Å; V144-V180 HydrophobicContact CB-CB 4.25Å; V144-V180 HydrophobicContact CG2-CB 4.16Å; V144-V180 HydrophobicContact CG2-CG1 4.47Å; K145-V180 CarbonylContact O-C 3.57Å; K145-V180 VanDerWaalsContact O-CA 3.28Å; K145-V180 WeakPolarHBondContact O-CA 3.42Å; I146-V180 HydrophobicContact CD1-CG1 3.79Å; V178-V180 HydrophobicContact CG2-CG1 4.02Å
181	Q	98.9	Very high	98.2	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.238	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.7	174.9	-177	175.1	53.8	0	0	109.9	N102 Q103 T104 V144 K145 V147	N102-Q181 PolarHBondContact O-NE2 3Å; Q103-Q181 WeakPolarHBondContact O-CA 3.28Å; T104-Q181 WeakPolarHBondContact OG1-CG 3.37Å; T104-Q181 PolarHBondContact OG1-NE2 3.24Å; V144-Q181 CarbonylContact C-O 3.56Å; V144-Q181 WeakPolarHBondContact CA-O 3.5Å; V144-Q181 WeakPolarHBondContact CB-O 3.47Å; K145-Q181 HydrophobicContact CG-CB 4.3Å; K145-Q181 PolarHBondContact N-O 3.33Å; K145-Q181 PolarHBondContact O-N 3.28Å; V147-Q181 HydrophobicContact CB-CB 4.49Å; V147-Q181 HydrophobicContact CG1-CB 3.5Å; V147-Q181 HydrophobicContact CG2-CB 4.16Å
182	F	98.9	Very high	98.3	Very high	28 Å²	28	42.9 Å²	42.9	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	138.3	170.8	177.2	-103.9	0	0	0	111.5	I94 L97 K98 Q103 R184 M185	I94-F182 HydrophobicContact CD1-CD2 4.11Å; I94-F182 HydrophobicContact CD1-CE2 3.96Å; I94-F182 HydrophobicContact CG1-CD2 4.1Å; I94-F182 HydrophobicContact CG1-CE2 4.18Å; L97-F182 HydrophobicContact CD2-CB 4.16Å; L97-F182 HydrophobicContact CG-CB 4.26Å; K98-F182 HydrophobicContact CD-CD2 4.25Å; K98-F182 HydrophobicContact CD-CE1 4.45Å; K98-F182 HydrophobicContact CD-CE2 3.8Å; K98-F182 HydrophobicContact CD-CZ 3.9Å; K98-F182 HydrophobicContact CG-CD1 4.11Å; K98-F182 HydrophobicContact CG-CD2 3.74Å; K98-F182 HydrophobicContact CG-CE1 4.16Å; K98-F182 HydrophobicContact CG-CE2 3.81Å; K98-F182 HydrophobicContact CG-CG 3.89Å; K98-F182 HydrophobicContact CG-CZ 4Å; Q103-F182 HydrophobicContact CB-CB 3.71Å; Q103-F182 PolarHBondContact O-N 2.94Å; F182-R184 VanDerWaalsContact CE2-C 3.41Å; F182-R184 VanDerWaalsContact CZ-C 3.42Å; F182-R184 VanDerWaalsContact CZ-CA 3.41Å; F182-M185 HydrophobicContact CE2-CG 4.33Å; F182-M185 HydrophobicContact CE2-SD 3.96Å; F182-M185 HydrophobicContact CZ-CG 4.19Å; F182-M185 HydrophobicContact CZ-SD 4.36Å
183	V	98.8	Very high	98.4	Very high	58 Å²	58	40.7 Å²	40.7	35%	0.352	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-60.7	172.9	179	0	0	0	0	109.8	I143 K145	I143-V183 HydrophobicContact CB-CB 4.43Å; I143-V183 HydrophobicContact CG2-CB 4.27Å; I143-V183 WeakPolarHBondContact O-CB 3.3Å; I143-V183 PolarHBondContact O-N 3.16Å; K145-V183 HydrophobicContact CB-CG2 3.81Å; K145-V183 HydrophobicContact CD-CG2 4.02Å; K145-V183 HydrophobicContact CG-CG2 3.77Å
184	R	98.7	Very high	98.4	Very high	89 Å²	89	40.5 Å²	40.5	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	161.8	178.7	63	175.6	-173.2	81.3	-2.5	111.3	G142 I143 F182 E237	G142-R184 WeakPolarHBondContact CA-O 3.45Å; I143-R184 HydrophobicContact CB-CG 4.43Å; I143-R184 HydrophobicContact CD1-CG 4.41Å; I143-R184 VanDerWaalsContact CD1-CZ 3.5Å; I143-R184 VanDerWaalsContact CD1-NH2 3.29Å; I143-R184 PolarHBondContact N-O 2.95Å; I143-R184 PolarHBondContact O-N 2.77Å; F182-R184 VanDerWaalsContact CE2-C 3.41Å; F182-R184 VanDerWaalsContact CZ-C 3.42Å; F182-R184 VanDerWaalsContact CZ-CA 3.41Å; R184-E237 IonicContact CZ-OE1 2.72Å; R184-E237 IonicContact CZ-OE2 3.46Å; R184-E237 IonicContact NH1-OE1 3.42Å; R184-E237 PolarHBondContact NH1-OE1 3.02Å; R184-E237 VanDerWaalsContact NH1-OE1 3.11Å; R184-E237 IonicContact NH1-OE2 3.11Å; R184-E237 PolarHBondContact NH1-OE2 2.87Å; R184-E237 IonicContact NH2-OE1 3.56Å; R184-E237 PolarHBondContact NH2-OE1 2.9Å; R184-E237 IonicContact NH2-OE2 2.87Å; R184-E237 PolarHBondContact NH2-OE2 2.68Å
185	M	98.7	Very high	98.4	Very high	70 Å²	70	37.6 Å²	37.6	35%	0.345	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	156.9	161.6	-59.5	-62	-73	0	0	109.6	I94 K98 V141 F182	I94-M185 HydrophobicContact CD1-SD 3.76Å; I94-M185 HydrophobicContact CG1-SD 4.18Å; I94-M185 HydrophobicContact CG2-CE 3.85Å; I94-M185 HydrophobicContact CG2-SD 3.9Å; K98-M185 HydrophobicContact CD-SD 4.18Å; V141-M185 HydrophobicContact CB-CE 4.5Å; V141-M185 VanDerWaalsContact O-CE 3.3Å; V141-M185 WeakPolarHBondContact O-CE 3.45Å; F182-M185 HydrophobicContact CE2-CG 4.33Å; F182-M185 HydrophobicContact CE2-SD 3.96Å; F182-M185 HydrophobicContact CZ-CG 4.19Å; F182-M185 HydrophobicContact CZ-SD 4.36Å
186	T	98.2	Very high	98.4	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	151.6	162.5	50.4	0	0	0	0	109.2	I140 V141 R188 E237	I140-T186 HydrophobicContact CG2-CG2 3.97Å; V141-T186 PolarHBondContact O-N 2.97Å; V141-T186 PolarHBondContact O-OG1 2.91Å; T186-R188 WeakPolarHBondContact CB-O 3.19Å; T186-R188 PolarHBondContact O-N 3.12Å; T186-R188 PolarHBondContact OG1-O 3.19Å; T186-E237 WeakPolarHBondContact CA-OE2 3.39Å; T186-E237 HydrophobicContact CG2-CG 4.29Å
187	K	97.8	Very high	98.3	Very high	137 Å²	137	44.9 Å²	44.9	60%	0.596	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	-31	179.4	-69.6	174	166	-177.4	0	112.4	E237 E238	K187-E237 HydrophobicContact CB-CB 4.09Å; K187-E237 HydrophobicContact CD-CB 4.2Å; K187-E237 HydrophobicContact CG-CB 4.36Å; K187-E237 WeakPolarHBondContact CG-OE2 3.35Å; K187-E237 PolarHBondContact N-OE2 2.54Å; K187-E238 WeakPolarHBondContact CD-OE1 3.45Å; K187-E238 WeakPolarHBondContact CE-OE1 3.45Å; K187-E238 IonicContact NZ-OE1 2.68Å; K187-E238 PolarHBondContact NZ-OE1 3.29Å; K187-E238 IonicContact NZ-OE2 2.57Å; K187-E238 PolarHBondContact NZ-OE2 3.2Å
188	R	97.3	Very high	98.3	Very high	37 Å²	37	46.6 Å²	46.6	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.2	168.6	62.8	171.2	-176	93.5	-8.5	110	T186 I190 E194 L236 E239	T186-R188 WeakPolarHBondContact CB-O 3.19Å; T186-R188 PolarHBondContact O-N 3.12Å; T186-R188 PolarHBondContact OG1-O 3.19Å; R188-I190 HydrophobicContact CG-CD1 3.88Å; R188-E194 IonicContact CZ-OE1 2.76Å; R188-E194 IonicContact CZ-OE2 3.65Å; R188-E194 IonicContact NH1-OE1 2.75Å; R188-E194 PolarHBondContact NH1-OE1 3.08Å; R188-E194 IonicContact NH1-OE2 2.82Å; R188-E194 PolarHBondContact NH1-OE2 2.99Å; R188-E194 IonicContact NH2-OE1 3.42Å; R188-E194 PolarHBondContact NH2-OE1 2.7Å; R188-E194 IonicContact NH2-OE2 3.71Å; R188-E194 PolarHBondContact NH2-OE2 3.06Å; R188-L236 PolarHBondContact NE-O 3.24Å; R188-L236 PolarHBondContact NH2-O 2.98Å; R188-E239 PolarHBondContact NE-O 3.25Å
189	F	97.9	Very high	98.2	Very high	74 Å²	74	47.3 Å²	47.3	33%	0.325	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.8	169.9	177.4	-123.8	0	0	0	110.5	E137 I140 V141 P191	E137-F189 HydrophobicContact CB-CE1 4.16Å; E137-F189 HydrophobicContact CB-CZ 4.24Å; E137-F189 WeakPolarHBondContact O-CZ 3.21Å; I140-F189 WeakPolarHBondContact O-CD2 3.35Å; V141-F189 HydrophobicContact CG1-CD2 3.75Å; V141-F189 HydrophobicContact CG1-CE2 3.77Å; F189-P191 HydrophobicContact CD1-CB 4.2Å; F189-P191 HydrophobicContact CE1-CB 3.69Å; F189-P191 HydrophobicContact CZ-CB 4.31Å; F189-P191 WeakPolarHBondContact O-CD 3.36Å
190	I	98.4	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	94.8	176.3	-45.9	-60.4	0	0	0	108.2	G139 I140 R188 I195 L236 E237	G139-I190 CarbonylContact C-O 3.58Å; G139-I190 VanDerWaalsContact CA-O 3.25Å; G139-I190 WeakPolarHBondContact CA-O 3.19Å; I140-I190 HydrophobicContact CB-CB 4.26Å; I140-I190 PolarHBondContact N-O 2.93Å; I140-I190 PolarHBondContact O-N 3.16Å; I140-I190 VanDerWaalsContact O-N 3.12Å; R188-I190 HydrophobicContact CG-CD1 3.88Å; I190-I195 HydrophobicContact CG2-CD1 3.97Å; I190-I195 HydrophobicContact CG2-CG1 3.66Å; I190-L236 HydrophobicContact CD1-CB 4.07Å; I190-L236 HydrophobicContact CG2-CD1 3.95Å; I190-E237 HydrophobicContact CD1-CG 4.42Å
191	P	98.2	Very high	98.1	Very high	31 Å²	31	53.1 Å²	53.1	20%	0.201	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	149.5	-175	27.8	-34.6	0	0	0	112.1	F189 S193 E194 I195	F189-P191 HydrophobicContact CD1-CB 4.2Å; F189-P191 HydrophobicContact CE1-CB 3.69Å; F189-P191 HydrophobicContact CZ-CB 4.31Å; F189-P191 WeakPolarHBondContact O-CD 3.36Å; P191-S193 PolarHBondContact O-N 3.27Å; P191-S193 VanDerWaalsContact O-N 3.16Å; P191-E194 WeakPolarHBondContact CD-OE2 3.37Å; P191-E194 HydrophobicContact CG-CB 3.85Å; P191-E194 PolarHBondContact O-N 2.87Å; P191-E194 VanDerWaalsContact O-N 3.11Å; P191-I195 PolarHBondContact O-N 3.01Å
192	L	98.4	Very high	98.1	Very high	50 Å²	50	51.5 Å²	51.5	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-54.1	-35.9	176.5	176.2	63.4	0	0	0	112.6	Y131 P138 E194 K196 L214 F215	Y131-L192 WeakPolarHBondContact OH-CD1 3.34Å; P138-L192 HydrophobicContact CB-CB 4.36Å; P138-L192 HydrophobicContact CB-CD2 4.44Å; P138-L192 HydrophobicContact CG-CB 4.05Å; P138-L192 HydrophobicContact CG-CD2 4.04Å; P138-L192 WeakPolarHBondContact O-CB 3.41Å; P138-L192 PolarHBondContact O-N 3.26Å; L192-E194 VanDerWaalsContact C-N 3.34Å; L192-E194 PolarHBondContact O-N 3.35Å; L192-K196 WeakPolarHBondContact O-CB 3.37Å; L192-K196 PolarHBondContact O-N 3.47Å; L192-L214 HydrophobicContact CD1-CD2 3.88Å; L192-L214 HydrophobicContact CD1-CG 4.13Å; L192-F215 HydrophobicContact CD1-CE1 3.56Å; L192-F215 HydrophobicContact CD1-CZ 3.98Å
193	S	97.6	Very high	97.9	Very high	84 Å²	84	57.2 Å²	57.2	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-60.4	-42.1	179.1	47.6	0	0	0	0	112.4	P191 K196 A197	P191-S193 PolarHBondContact O-N 3.27Å; P191-S193 VanDerWaalsContact O-N 3.16Å; S193-K196 WeakPolarHBondContact O-CB 3.33Å; S193-K196 PolarHBondContact O-N 3.09Å; S193-A197 PolarHBondContact O-N 3.49Å
194	E	97.9	Very high	97.7	Very high	20 Å²	20	59 Å²	59	9%	0.093	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-50	178.6	-175.3	-173.7	149	0	0	110.9	R188 P191 L192 K196 A197 H198	R188-E194 IonicContact CZ-OE1 2.76Å; R188-E194 IonicContact CZ-OE2 3.65Å; R188-E194 IonicContact NH1-OE1 2.75Å; R188-E194 PolarHBondContact NH1-OE1 3.08Å; R188-E194 IonicContact NH1-OE2 2.82Å; R188-E194 PolarHBondContact NH1-OE2 2.99Å; R188-E194 IonicContact NH2-OE1 3.42Å; R188-E194 PolarHBondContact NH2-OE1 2.7Å; R188-E194 IonicContact NH2-OE2 3.71Å; R188-E194 PolarHBondContact NH2-OE2 3.06Å; P191-E194 WeakPolarHBondContact CD-OE2 3.37Å; P191-E194 HydrophobicContact CG-CB 3.85Å; P191-E194 PolarHBondContact O-N 2.87Å; P191-E194 VanDerWaalsContact O-N 3.11Å; L192-E194 VanDerWaalsContact C-N 3.34Å; L192-E194 PolarHBondContact O-N 3.35Å; E194-K196 PolarHBondContact O-N 3.22Å; E194-A197 WeakPolarHBondContact O-CB 3.49Å; E194-A197 PolarHBondContact O-N 3.34Å; E194-H198 PolarHBondContact O-CD2 2.95Å; E194-H198 VanDerWaalsContact O-CD2 3.29Å; E194-H198 PolarHBondContact O-N 2.78Å; E194-H198 VanDerWaalsContact O-N 3.14Å
195	I	98.1	Very high	97.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-36.6	176.9	-49.1	172.4	0	0	0	110.1	I140 I190 P191 H198 H199 L209 M212 L214 F215	I140-I195 HydrophobicContact CD1-CD1 3.71Å; I140-I195 HydrophobicContact CG1-CD1 4.05Å; I190-I195 HydrophobicContact CG2-CD1 3.97Å; I190-I195 HydrophobicContact CG2-CG1 3.66Å; P191-I195 PolarHBondContact O-N 3.01Å; I195-H198 PolarHBondContact O-N 3.2Å; I195-H199 WeakPolarHBondContact O-CB 3.27Å; I195-H199 PolarHBondContact O-N 3.29Å; I195-L209 HydrophobicContact CG2-CD1 3.98Å; I195-M212 HydrophobicContact CG2-CE 4.18Å; I195-M212 HydrophobicContact CG2-SD 3.66Å; I195-L214 HydrophobicContact CD1-CD2 4.19Å; I195-L214 HydrophobicContact CG2-CD2 4.25Å; I195-F215 HydrophobicContact CB-CE2 4.39Å; I195-F215 HydrophobicContact CB-CZ 3.94Å; I195-F215 HydrophobicContact CG2-CE2 3.72Å; I195-F215 HydrophobicContact CG2-CZ 3.76Å
196	K	97.9	Very high	97.4	Very high	112 Å²	112	58.5 Å²	58.5	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-41.1	177.4	-172.8	179	178.1	-175.9	0	112.1	L192 S193 E194 H199 L200 F215	L192-K196 WeakPolarHBondContact O-CB 3.37Å; L192-K196 PolarHBondContact O-N 3.47Å; S193-K196 WeakPolarHBondContact O-CB 3.33Å; S193-K196 PolarHBondContact O-N 3.09Å; E194-K196 PolarHBondContact O-N 3.22Å; K196-H199 PolarHBondContact O-N 2.89Å; K196-L200 HydrophobicContact CG-CD1 4.3Å; K196-L200 WeakPolarHBondContact O-CG 3.37Å; K196-L200 PolarHBondContact O-N 3.32Å; K196-F215 VanDerWaalsContact CA-CZ 3.41Å; K196-F215 HydrophobicContact CB-CD1 4.42Å; K196-F215 HydrophobicContact CB-CE1 3.58Å; K196-F215 HydrophobicContact CB-CZ 3.85Å; K196-F215 HydrophobicContact CG-CD1 4.29Å; K196-F215 HydrophobicContact CG-CE1 3.92Å; K196-F215 VanDerWaalsContact N-CZ 3.34Å
197	A	97.6	Very high	97.3	Very high	60 Å²	60	58.6 Å²	58.6	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-48.2	176.4	0	0	0	0	0	110.8	S193 E194 L200 A201	S193-A197 PolarHBondContact O-N 3.49Å; E194-A197 WeakPolarHBondContact O-CB 3.49Å; E194-A197 PolarHBondContact O-N 3.34Å; A197-L200 PolarHBondContact O-N 3.16Å; A197-A201 PolarHBondContact O-N 3.4Å
198	H	97.8	Very high	97.3	Very high	36 Å²	36	54.1 Å²	54.1	17%	0.167	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-42.2	175.3	-71.4	-73	0	0	0	112.6	E194 I195 L200 A201 H202 L209 F232	E194-H198 PolarHBondContact O-CD2 2.95Å; E194-H198 VanDerWaalsContact O-CD2 3.29Å; E194-H198 PolarHBondContact O-N 2.78Å; E194-H198 VanDerWaalsContact O-N 3.14Å; I195-H198 PolarHBondContact O-N 3.2Å; H198-L200 VanDerWaalsContact C-N 3.31Å; H198-L200 PolarHBondContact O-N 2.76Å; H198-A201 PolarHBondContact O-N 3.44Å; H198-H202 VanDerWaalsContact O-CB 3.24Å; H198-H202 WeakPolarHBondContact O-CB 3.47Å; H198-H202 PolarHBondContact O-N 3.46Å; H198-H202 PolarHBondContact O-ND1 3.08Å; H198-L209 HydrophobicContact CB-CD1 3.8Å; H198-F232 HydrophobicContact CB-CE1 3.9Å; H198-F232 HydrophobicContact CB-CZ 4.25Å; H198-F232 AromaticContact CG-CE1 3.77Å; H198-F232 AromaticContact CG-CZ 3.87Å; H198-F232 AromaticContact ND1-CE1 3.94Å; H198-F232 AromaticContact ND1-CZ 3.54Å
199	H	98	Very high	97.3	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.065	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-43.9	174.8	169.6	68.6	0	0	0	112.5	I195 K196 H202 K203 L209 K210 F215	I195-H199 WeakPolarHBondContact O-CB 3.27Å; I195-H199 PolarHBondContact O-N 3.29Å; K196-H199 PolarHBondContact O-N 2.89Å; H199-H202 PolarHBondContact O-N 3.09Å; H199-K203 WeakPolarHBondContact O-CB 3.46Å; H199-K203 PolarHBondContact O-N 2.59Å; H199-L209 HydrophobicContact CB-CB 4.43Å; H199-L209 PolarHBondContact ND1-O 3.28Å; H199-K210 PolarHBondContact CE1-O 2.76Å; H199-F215 HydrophobicContact CB-CD2 3.45Å; H199-F215 VanDerWaalsContact CB-CD2 3.45Å; H199-F215 HydrophobicContact CB-CE2 3.49Å; H199-F215 VanDerWaalsContact CB-CE2 3.49Å; H199-F215 HydrophobicContact CB-CG 4.26Å; H199-F215 HydrophobicContact CB-CZ 4.33Å; H199-F215 AromaticContact CD2-CD2 3.6Å; H199-F215 AromaticContact CD2-CG 3.61Å; H199-F215 AromaticContact CG-CD2 3.27Å; H199-F215 AromaticContact CG-CE2 3.89Å; H199-F215 AromaticContact CG-CG 3.81Å; H199-F215 AromaticContact ND1-CD2 3.72Å
200	L	97.8	Very high	97.3	Very high	102 Å²	102	52.9 Å²	52.9	53%	0.534	31%	0.314	S	S	.	.	H	α-helix	trans	-67.3	-41.6	179.6	-69.9	173.5	0	0	0	112.2	K196 A197 H198 K203	K196-L200 HydrophobicContact CG-CD1 4.3Å; K196-L200 WeakPolarHBondContact O-CG 3.37Å; K196-L200 PolarHBondContact O-N 3.32Å; A197-L200 PolarHBondContact O-N 3.16Å; H198-L200 VanDerWaalsContact C-N 3.31Å; H198-L200 PolarHBondContact O-N 2.76Å; L200-K203 PolarHBondContact O-N 3.3Å
201	A	97.4	Very high	97.2	Very high	48 Å²	48	57.2 Å²	57.2	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-49.9	173.5	0	0	0	0	0	111	A197 H198 K203 A204 D205	A197-A201 PolarHBondContact O-N 3.4Å; H198-A201 PolarHBondContact O-N 3.44Å; A201-K203 PolarHBondContact O-N 3.19Å; A201-A204 WeakPolarHBondContact O-CB 3.4Å; A201-A204 PolarHBondContact O-N 3.04Å; A201-D205 PolarHBondContact O-N 3.04Å; A201-D205 VanDerWaalsContact O-N 3.16Å
202	H	97.9	Very high	97.1	Very high	18 Å²	18	55.7 Å²	55.7	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-29.2	-179.5	-66.9	166.9	0	0	0	113.9	H198 H199 A204 D205 G206 G207 L209 K210 F232	H198-H202 VanDerWaalsContact O-CB 3.24Å; H198-H202 WeakPolarHBondContact O-CB 3.47Å; H198-H202 PolarHBondContact O-N 3.46Å; H198-H202 PolarHBondContact O-ND1 3.08Å; H199-H202 PolarHBondContact O-N 3.09Å; H202-A204 PolarHBondContact O-N 2.89Å; H202-D205 WeakPolarHBondContact CA-OD1 3.41Å; H202-D205 IonicContact CD2-OD1 3.2Å; H202-G206 CarbonylContact O-C 3.35Å; H202-G206 WeakPolarHBondContact O-CA 3.44Å; H202-G206 PolarHBondContact O-N 2.89Å; H202-G207 PolarHBondContact O-N 2.72Å; H202-L209 HydrophobicContact CB-CB 4.47Å; H202-L209 WeakPolarHBondContact ND1-CB 3.5Å; H202-L209 PolarHBondContact ND1-N 3.01Å; H202-L209 VanDerWaalsContact ND1-N 3.15Å; H202-K210 HydrophobicContact CB-CB 4.22Å; H202-K210 VanDerWaalsContact O-CB 3.29Å; H202-K210 WeakPolarHBondContact O-CB 3.4Å; H202-F232 AromaticContact CE1-CD2 3.98Å; H202-F232 AromaticContact CE1-CE1 3.68Å; H202-F232 AromaticContact CE1-CE2 3.49Å; H202-F232 VanDerWaalsContact CE1-CE2 3.49Å; H202-F232 WeakPolarHBondContact CE1-CE2 3.28Å; H202-F232 AromaticContact CE1-CZ 3.34Å; H202-F232 WeakPolarHBondContact CE1-CZ 3.48Å; H202-F232 AromaticContact NE2-CE2 3.87Å; H202-F232 AromaticContact NE2-CZ 3.84Å
203	K	96.3	Very high	97.1	Very high	148 Å²	148	54.2 Å²	54.2	64%	0.643	32%	0.319	S	S	*	.	H	α-helix	trans	-65.9	-27.3	174.9	-166.8	175.5	-178.9	-178.4	0	112.6	H199 L200 A201	H199-K203 WeakPolarHBondContact O-CB 3.46Å; H199-K203 PolarHBondContact O-N 2.59Å; L200-K203 PolarHBondContact O-N 3.3Å; A201-K203 PolarHBondContact O-N 3.19Å
204	A	94.6	Very high	97.1	Very high	94 Å²	94	50.6 Å²	50.6	78%	0.777	29%	0.293	S	S	*	.	H	α-helix	trans	-88.6	-39.8	177.9	0	0	0	0	0	112.7	A201 H202	A201-A204 WeakPolarHBondContact O-CB 3.4Å; A201-A204 PolarHBondContact O-N 3.04Å; H202-A204 PolarHBondContact O-N 2.89Å
205	D	94.9	Very high	97.1	Very high	113 Å²	113	51.1 Å²	51.1	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-100.1	-9.1	-173	65.8	25.8	0	0	0	114.9	A201 H202 G207	A201-D205 PolarHBondContact O-N 3.04Å; A201-D205 VanDerWaalsContact O-N 3.16Å; H202-D205 WeakPolarHBondContact CA-OD1 3.41Å; H202-D205 IonicContact CD2-OD1 3.2Å; D205-G207 PolarHBondContact OD1-N 2.98Å
206	G	95.2	Very high	97	Very high	37 Å²	37	54.5 Å²	54.5	38%	0.381	32%	0.316	S	S	.	.			trans	91.4	12.7	179.2	0	0	0	0	0	115.9	H202 K210	H202-G206 CarbonylContact O-C 3.35Å; H202-G206 WeakPolarHBondContact O-CA 3.44Å; H202-G206 PolarHBondContact O-N 2.89Å; G206-K210 PolarHBondContact O-NZ 3.2Å
207	G	96.5	Very high	96.9	Very high	15 Å²	15	56.1 Å²	56.1	16%	0.155	32%	0.319	C	S	.	.			trans	-66.7	177.9	-177.8	0	0	0	0	0	117.3	H202 D205 L209 K210	H202-G207 PolarHBondContact O-N 2.72Å; D205-G207 PolarHBondContact OD1-N 2.98Å; G207-L209 VanDerWaalsContact C-N 3.34Å; G207-L209 PolarHBondContact O-N 3.28Å; G207-K210 WeakPolarHBondContact O-CB 3.42Å; G207-K210 WeakPolarHBondContact O-CG 3.42Å; G207-K210 PolarHBondContact O-N 3.37Å
208	P	97.1	Very high	96.6	Very high	44 Å²	44	60.7 Å²	60.7	29%	0.286	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-38.2	-167.8	-29.3	36.6	0	0	0	114.8	K210 E228 E229 F232	P208-K210 VanDerWaalsContact C-N 3.33Å; P208-K210 PolarHBondContact O-N 2.86Å; P208-E228 HydrophobicContact CB-CB 4.22Å; P208-E229 WeakPolarHBondContact O-CG 3.19Å; P208-F232 HydrophobicContact CB-CB 3.97Å; P208-F232 HydrophobicContact CB-CD2 4.34Å; P208-F232 HydrophobicContact CB-CG 4.23Å; P208-F232 HydrophobicContact CG-CB 4.32Å; P208-F232 HydrophobicContact CG-CD2 3.95Å; P208-F232 HydrophobicContact CG-CG 4.33Å
209	L	97.6	Very high	96.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.4	-174.7	-53.3	-172.8	0	0	0	114.1	I195 H198 H199 H202 G207 N211 M212 E229 F232 V233	I195-L209 HydrophobicContact CG2-CD1 3.98Å; H198-L209 HydrophobicContact CB-CD1 3.8Å; H199-L209 HydrophobicContact CB-CB 4.43Å; H199-L209 PolarHBondContact ND1-O 3.28Å; H202-L209 HydrophobicContact CB-CB 4.47Å; H202-L209 WeakPolarHBondContact ND1-CB 3.5Å; H202-L209 PolarHBondContact ND1-N 3.01Å; H202-L209 VanDerWaalsContact ND1-N 3.15Å; G207-L209 VanDerWaalsContact C-N 3.34Å; G207-L209 PolarHBondContact O-N 3.28Å; L209-N211 PolarHBondContact O-N 2.83Å; L209-M212 HydrophobicContact CB-CB 4.35Å; L209-M212 HydrophobicContact CD1-SD 4.47Å; L209-M212 HydrophobicContact CD2-SD 4.1Å; L209-M212 WeakPolarHBondContact O-CB 3.36Å; L209-M212 PolarHBondContact O-N 3.29Å; L209-M212 VanDerWaalsContact O-N 3.1Å; L209-E229 HydrophobicContact CD2-CB 4.16Å; L209-E229 HydrophobicContact CD2-CG 4.17Å; L209-F232 HydrophobicContact CD1-CD1 3.57Å; L209-F232 HydrophobicContact CD1-CE1 3.71Å; L209-F232 HydrophobicContact CD2-CB 4.3Å; L209-F232 HydrophobicContact CD2-CD1 3.92Å; L209-F232 HydrophobicContact CD2-CG 4.37Å; L209-F232 HydrophobicContact CG-CD1 3.62Å; L209-F232 HydrophobicContact CG-CE1 4.08Å; L209-F232 HydrophobicContact CG-CG 4.27Å; L209-V233 HydrophobicContact CD2-CG2 4.34Å
210	K	97.4	Very high	96.4	Very high	85 Å²	85	70 Å²	70	37%	0.37	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.9	-172.8	69.3	-172.8	167.9	-156.4	0	114.2	H199 H202 G206 G207 P208	H199-K210 PolarHBondContact CE1-O 2.76Å; H202-K210 HydrophobicContact CB-CB 4.22Å; H202-K210 VanDerWaalsContact O-CB 3.29Å; H202-K210 WeakPolarHBondContact O-CB 3.4Å; G206-K210 PolarHBondContact O-NZ 3.2Å; G207-K210 WeakPolarHBondContact O-CB 3.42Å; G207-K210 WeakPolarHBondContact O-CG 3.42Å; G207-K210 PolarHBondContact O-N 3.37Å; P208-K210 VanDerWaalsContact C-N 3.33Å; P208-K210 PolarHBondContact O-N 2.86Å
211	N	96.2	Very high	96.4	Very high	90 Å²	90	67 Å²	67	48%	0.481	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	10.3	-176.6	-68.4	-32.6	0	0	0	113.7	L209 M213	L209-N211 PolarHBondContact O-N 2.83Å; N211-M213 PolarHBondContact O-N 3.08Å
212	M	97.3	Very high	96.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.332	C	S	.	.			trans	-54.3	125.8	-172	-166.5	-170.3	-170.4	0	0	112.4	L75 I195 L209 L214 F215 T216 L225 E229 V233	L75-M212 HydrophobicContact CD1-CE 4.39Å; I195-M212 HydrophobicContact CG2-CE 4.18Å; I195-M212 HydrophobicContact CG2-SD 3.66Å; L209-M212 HydrophobicContact CB-CB 4.35Å; L209-M212 HydrophobicContact CD1-SD 4.47Å; L209-M212 HydrophobicContact CD2-SD 4.1Å; L209-M212 WeakPolarHBondContact O-CB 3.36Å; L209-M212 PolarHBondContact O-N 3.29Å; L209-M212 VanDerWaalsContact O-N 3.1Å; M212-L214 HydrophobicContact CE-CB 4.14Å; M212-L214 HydrophobicContact CE-CD2 4.15Å; M212-L214 HydrophobicContact CG-CB 4.12Å; M212-L214 PolarHBondContact O-N 3.12Å; M212-L214 VanDerWaalsContact O-N 3.08Å; M212-L214 HydrophobicContact SD-CB 3.97Å; M212-L214 HydrophobicContact SD-CD2 4.35Å; M212-F215 HydrophobicContact CB-CD2 4.3Å; M212-F215 PolarHBondContact O-N 3.17Å; M212-F215 VanDerWaalsContact O-N 3.09Å; M212-F215 HydrophobicContact SD-CD2 4.39Å; M212-F215 HydrophobicContact SD-CE2 3.91Å; M212-T216 PolarHBondContact O-N 2.86Å; M212-T216 PolarHBondContact O-OG1 3.43Å; M212-L225 HydrophobicContact CE-CD2 3.8Å; M212-L225 HydrophobicContact CG-CD2 4.17Å; M212-E229 WeakPolarHBondContact CA-OE1 3.34Å; M212-E229 PolarHBondContact N-OE1 3.42Å; M212-V233 HydrophobicContact CE-CG2 4.17Å
213	M	97.6	Very high	96.5	Very high	19 Å²	19	63.9 Å²	63.9	9%	0.094	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-17.9	-174.9	-72.3	-166.5	73.7	0	0	114.2	F118 N211 F215 T216 R217 L220 Q223 P224	F118-M213 HydrophobicContact CE2-CE 4.04Å; F118-M213 HydrophobicContact CZ-CE 4.21Å; F118-M213 HydrophobicContact CZ-SD 4.45Å; N211-M213 PolarHBondContact O-N 3.08Å; M213-F215 PolarHBondContact O-N 3.4Å; M213-T216 WeakPolarHBondContact CA-OG1 3.32Å; M213-R217 HydrophobicContact CE-CB 4.16Å; M213-R217 HydrophobicContact CE-CG 3.71Å; M213-R217 CarbonylContact O-C 3.54Å; M213-R217 WeakPolarHBondContact O-CA 3.33Å; M213-R217 PolarHBondContact O-N 3.21Å; M213-L220 HydrophobicContact CE-CD2 3.37Å; M213-Q223 HydrophobicContact CB-CB 4.08Å; M213-Q223 HydrophobicContact CB-CG 4.47Å; M213-Q223 PolarHBondContact O-NE2 3.48Å; M213-Q223 VanDerWaalsContact O-NE2 3.12Å; M213-P224 WeakPolarHBondContact SD-CD 3.44Å; M213-P224 HydrophobicContact SD-CG 3.37Å; M213-P224 WeakPolarHBondContact SD-CG 3.4Å
214	L	97.8	Very high	96.6	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-36.1	173.6	-172.7	57.2	0	0	0	111.9	L75 Y131 L192 I195 M212	L75-L214 HydrophobicContact CD1-CD1 4.41Å; L75-L214 HydrophobicContact CD1-CD2 4.39Å; L75-L214 HydrophobicContact CD2-CD1 4.47Å; Y131-L214 HydrophobicContact CD2-CD1 4.38Å; Y131-L214 HydrophobicContact CE2-CD1 3.94Å; Y131-L214 HydrophobicContact CE2-CD2 3.96Å; L192-L214 HydrophobicContact CD1-CD2 3.88Å; L192-L214 HydrophobicContact CD1-CG 4.13Å; I195-L214 HydrophobicContact CD1-CD2 4.19Å; I195-L214 HydrophobicContact CG2-CD2 4.25Å; M212-L214 HydrophobicContact CE-CB 4.14Å; M212-L214 HydrophobicContact CE-CD2 4.15Å; M212-L214 HydrophobicContact CG-CB 4.12Å; M212-L214 PolarHBondContact O-N 3.12Å; M212-L214 VanDerWaalsContact O-N 3.08Å; M212-L214 HydrophobicContact SD-CB 3.97Å; M212-L214 HydrophobicContact SD-CD2 4.35Å
215	F	97.6	Very high	96.8	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	26%	0.26	C	S	.	.	H	α-helix	trans	-104	-32.4	-178	-53.8	-68.8	0	0	0	113.5	L192 I195 K196 H199 M212 M213	L192-F215 HydrophobicContact CD1-CE1 3.56Å; L192-F215 HydrophobicContact CD1-CZ 3.98Å; I195-F215 HydrophobicContact CB-CE2 4.39Å; I195-F215 HydrophobicContact CB-CZ 3.94Å; I195-F215 HydrophobicContact CG2-CE2 3.72Å; I195-F215 HydrophobicContact CG2-CZ 3.76Å; K196-F215 VanDerWaalsContact CA-CZ 3.41Å; K196-F215 HydrophobicContact CB-CD1 4.42Å; K196-F215 HydrophobicContact CB-CE1 3.58Å; K196-F215 HydrophobicContact CB-CZ 3.85Å; K196-F215 HydrophobicContact CG-CD1 4.29Å; K196-F215 HydrophobicContact CG-CE1 3.92Å; K196-F215 VanDerWaalsContact N-CZ 3.34Å; H199-F215 HydrophobicContact CB-CD2 3.45Å; H199-F215 VanDerWaalsContact CB-CD2 3.45Å; H199-F215 HydrophobicContact CB-CE2 3.49Å; H199-F215 VanDerWaalsContact CB-CE2 3.49Å; H199-F215 HydrophobicContact CB-CG 4.26Å; H199-F215 HydrophobicContact CB-CZ 4.33Å; H199-F215 AromaticContact CD2-CD2 3.6Å; H199-F215 AromaticContact CD2-CG 3.61Å; H199-F215 AromaticContact CG-CD2 3.27Å; H199-F215 AromaticContact CG-CE2 3.89Å; H199-F215 AromaticContact CG-CG 3.81Å; H199-F215 AromaticContact ND1-CD2 3.72Å; M212-F215 HydrophobicContact CB-CD2 4.3Å; M212-F215 PolarHBondContact O-N 3.17Å; M212-F215 VanDerWaalsContact O-N 3.09Å; M212-F215 HydrophobicContact SD-CD2 4.39Å; M212-F215 HydrophobicContact SD-CE2 3.91Å; M213-F215 PolarHBondContact O-N 3.4Å
216	T	96.3	Very high	96.9	Very high	72 Å²	72	47.6 Å²	47.6	44%	0.442	24%	0.236	S	C	.	.	H	α-helix	trans	-80.3	-22.8	-179.4	65.4	0	0	0	0	112.8	M212 M213	M212-T216 PolarHBondContact O-N 2.86Å; M212-T216 PolarHBondContact O-OG1 3.43Å; M213-T216 WeakPolarHBondContact CA-OG1 3.32Å
217	R	96.4	Very high	96.9	Very high	146 Å²	146	49.9 Å²	49.9	55%	0.551	24%	0.236	S	C	*	.			trans	-134.5	70.3	179.1	-61.1	-63.7	-179.3	-175.9	0.1	111.5	M213 R219 L220 Q223	M213-R217 HydrophobicContact CE-CB 4.16Å; M213-R217 HydrophobicContact CE-CG 3.71Å; M213-R217 CarbonylContact O-C 3.54Å; M213-R217 WeakPolarHBondContact O-CA 3.33Å; M213-R217 PolarHBondContact O-N 3.21Å; R217-R219 VanDerWaalsContact C-N 3.32Å; R217-R219 PolarHBondContact O-N 2.9Å; R217-L220 HydrophobicContact CB-CB 3.96Å; R217-L220 HydrophobicContact CB-CD2 4.23Å; R217-L220 WeakPolarHBondContact O-CB 3.44Å; R217-L220 PolarHBondContact O-N 2.7Å; R217-L220 VanDerWaalsContact O-N 3.08Å; R217-Q223 PolarHBondContact O-NE2 3.42Å
218	Q	91.6	Very high	96.9	Very high	155 Å²	155	55.4 Å²	55.4	72%	0.724	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-39	-172	-62.4	173.7	16.9	0	0	114.5	K77 L220	K77-Q218 PolarHBondContact NZ-O 2.97Å; Q218-L220 VanDerWaalsContact C-N 3.29Å; Q218-L220 PolarHBondContact O-N 3.05Å
219	R	93.9	Very high	97	Very high	242 Å²	242	53.6 Å²	53.6	91%	0.913	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	10.1	-178.3	-59.8	-172.3	-178.4	-157.1	0.4	114.5	R217	R217-R219 VanDerWaalsContact C-N 3.32Å; R217-R219 PolarHBondContact O-N 2.9Å
220	L	97.7	Very high	97	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	25%	0.247	C	C	.	.			trans	-97.6	122.6	178.6	-171.8	71.9	0	0	0	110	K77 Q114 A115 F118 M213 R217 Q218 I222 Q223	K77-L220 WeakPolarHBondContact CE-O 3.33Å; K77-L220 PolarHBondContact NZ-O 2.86Å; Q114-L220 HydrophobicContact CB-CD1 4.02Å; Q114-L220 HydrophobicContact CG-CD1 4.18Å; A115-L220 HydrophobicContact CB-CD1 3.8Å; F118-L220 HydrophobicContact CD2-CD2 4.17Å; F118-L220 HydrophobicContact CE2-CD2 3.75Å; M213-L220 HydrophobicContact CE-CD2 3.37Å; R217-L220 HydrophobicContact CB-CB 3.96Å; R217-L220 HydrophobicContact CB-CD2 4.23Å; R217-L220 WeakPolarHBondContact O-CB 3.44Å; R217-L220 PolarHBondContact O-N 2.7Å; R217-L220 VanDerWaalsContact O-N 3.08Å; Q218-L220 VanDerWaalsContact C-N 3.29Å; Q218-L220 PolarHBondContact O-N 3.05Å; L220-I222 WeakPolarHBondContact CD2-O 3.23Å; L220-I222 VanDerWaalsContact CG-O 3.27Å; L220-I222 WeakPolarHBondContact CG-O 3.26Å; L220-Q223 HydrophobicContact CB-CG 4.36Å; L220-Q223 HydrophobicContact CD2-CG 4.06Å; L220-Q223 HydrophobicContact CG-CG 4.17Å; L220-Q223 PolarHBondContact O-NE2 3.22Å
221	S	97.8	Very high	97	Very high	39 Å²	39	53.3 Å²	53.3	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-89.3	-24.2	-175.8	55	0	0	0	0	114.7	K77	K77-S221 PolarHBondContact N-O 3.3Å
222	I	98.6	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115	176.2	-50.4	-63.4	0	0	0	106.8	L76 V110 A115 F118 L119 M122 L220	L76-I222 HydrophobicContact CB-CD1 4.38Å; L76-I222 HydrophobicContact CG-CD1 3.8Å; V110-I222 HydrophobicContact CG1-CG1 4.37Å; V110-I222 HydrophobicContact CG2-CD1 4.11Å; V110-I222 HydrophobicContact CG2-CG1 3.96Å; A115-I222 HydrophobicContact CB-CB 3.89Å; A115-I222 HydrophobicContact CB-CG1 3.91Å; F118-I222 HydrophobicContact CB-CG2 3.85Å; F118-I222 WeakPolarHBondContact CD2-O 3.33Å; L119-I222 HydrophobicContact CD2-CD1 3.89Å; L119-I222 HydrophobicContact CD2-CG1 3.97Å; L119-I222 HydrophobicContact CD2-CG2 3.97Å; L119-I222 HydrophobicContact CG-CD1 4.49Å; L119-I222 HydrophobicContact CG-CG1 4.06Å; L119-I222 HydrophobicContact CG-CG2 4.27Å; M122-I222 HydrophobicContact CE-CG2 3.54Å; L220-I222 WeakPolarHBondContact CD2-O 3.23Å; L220-I222 VanDerWaalsContact CG-O 3.27Å; L220-I222 WeakPolarHBondContact CG-O 3.26Å
223	Q	98.4	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.1	-171	-51	-172.5	-27.7	0	0	109.2	W74 L75 M213 R217 L220	W74-Q223 CarbonylContact C-O 3.45Å; W74-Q223 VanDerWaalsContact CA-O 3.29Å; W74-Q223 WeakPolarHBondContact CA-O 3.41Å; L75-Q223 HydrophobicContact CB-CB 4.35Å; L75-Q223 HydrophobicContact CD2-CG 4.46Å; L75-Q223 PolarHBondContact N-O 3.36Å; L75-Q223 PolarHBondContact O-N 3.38Å; M213-Q223 HydrophobicContact CB-CB 4.08Å; M213-Q223 HydrophobicContact CB-CG 4.47Å; M213-Q223 PolarHBondContact O-NE2 3.48Å; M213-Q223 VanDerWaalsContact O-NE2 3.12Å; R217-Q223 PolarHBondContact O-NE2 3.42Å; L220-Q223 HydrophobicContact CB-CG 4.36Å; L220-Q223 HydrophobicContact CD2-CG 4.06Å; L220-Q223 HydrophobicContact CG-CG 4.17Å; L220-Q223 PolarHBondContact O-NE2 3.22Å
224	P	98.1	Very high	97.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	152.7	168.3	32.3	-37.5	0	0	0	110.8	Y71 W74 F118 M213	Y71-P224 HydrophobicContact CD1-CB 3.56Å; Y71-P224 HydrophobicContact CD1-CG 4.08Å; Y71-P224 HydrophobicContact CD2-CB 3.85Å; Y71-P224 HydrophobicContact CD2-CG 4.14Å; Y71-P224 HydrophobicContact CE1-CB 4.11Å; Y71-P224 HydrophobicContact CE1-CG 4.12Å; Y71-P224 HydrophobicContact CE2-CB 4.4Å; Y71-P224 HydrophobicContact CE2-CG 4.22Å; Y71-P224 HydrophobicContact CG-CB 3.38Å; Y71-P224 HydrophobicContact CG-CG 4.07Å; W74-P224 HydrophobicContact CE3-CB 3.96Å; W74-P224 HydrophobicContact CZ3-CB 3.72Å; F118-P224 HydrophobicContact CD1-CB 4.48Å; F118-P224 HydrophobicContact CD1-CG 4.06Å; F118-P224 HydrophobicContact CE1-CB 4.4Å; F118-P224 HydrophobicContact CE1-CG 3.63Å; F118-P224 HydrophobicContact CE2-CG 4.16Å; F118-P224 HydrophobicContact CZ-CG 3.68Å; M213-P224 WeakPolarHBondContact SD-CD 3.44Å; M213-P224 HydrophobicContact SD-CG 3.37Å; M213-P224 WeakPolarHBondContact SD-CG 3.4Å
225	L	98.1	Very high	97.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.4	171.7	-65.9	170.5	0	0	0	109.4	H73 L75 F129 M212 E229 F230	H73-L225 HydrophobicContact CB-CB 4.12Å; H73-L225 PolarHBondContact N-O 3.07Å; H73-L225 PolarHBondContact O-N 2.9Å; L75-L225 HydrophobicContact CB-CD1 4.11Å; L75-L225 HydrophobicContact CB-CG 4.48Å; F129-L225 HydrophobicContact CD2-CD1 3.57Å; F129-L225 HydrophobicContact CE2-CD1 3.91Å; M212-L225 HydrophobicContact CE-CD2 3.8Å; M212-L225 HydrophobicContact CG-CD2 4.17Å; L225-E229 VanDerWaalsContact CA-OE2 3.3Å; L225-E229 WeakPolarHBondContact CA-OE2 2.91Å; L225-E229 HydrophobicContact CB-CB 4.37Å; L225-E229 HydrophobicContact CD2-CB 4.09Å; L225-F230 HydrophobicContact CD1-CD2 4.27Å
226	T	97	Very high	97.2	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.086	25%	0.246	C	C	.	.			trans	-71.2	167	165.4	66.4	0	0	0	0	110.6	Q69 Y71 E228 E229 F230	Q69-T226 HydrophobicContact CG-CG2 3.69Å; Y71-T226 HydrophobicContact CD1-CG2 4.25Å; Y71-T226 HydrophobicContact CE1-CG2 4.16Å; T226-E228 VanDerWaalsContact C-N 3.31Å; T226-E228 PolarHBondContact OG1-N 3.19Å; T226-E229 PolarHBondContact N-OE2 2.85Å; T226-E229 PolarHBondContact O-N 3.08Å; T226-E229 VanDerWaalsContact OG1-CG 3.3Å; T226-E229 WeakPolarHBondContact OG1-CG 3.48Å; T226-E229 PolarHBondContact OG1-N 3.29Å; T226-F230 WeakPolarHBondContact O-CB 3.16Å; T226-F230 PolarHBondContact O-N 2.77Å; T226-F230 VanDerWaalsContact O-N 3.08Å
227	Q	96.4	Very high	97.1	Very high	85 Å²	85	49.1 Å²	49.1	40%	0.397	23%	0.226	S	C	.	.	H	α-helix	trans	-57.6	-46.2	169.9	-171.1	60.4	54.1	0	0	111	C72 H73 E229 F230 D231	C72-Q227 PolarHBondContact SG-OE1 3.24Å; H73-Q227 PolarHBondContact NE2-NE2 2.72Å; H73-Q227 PolarHBondContact NE2-OE1 3.47Å; Q227-E229 PolarHBondContact O-N 3.02Å; Q227-F230 PolarHBondContact O-N 2.56Å; Q227-D231 WeakPolarHBondContact CG-OD2 3.43Å; Q227-D231 PolarHBondContact NE2-OD1 2.95Å; Q227-D231 PolarHBondContact NE2-OD2 2.84Å; Q227-D231 WeakPolarHBondContact O-CB 3.46Å; Q227-D231 VanDerWaalsContact O-CG 3.26Å; Q227-D231 PolarHBondContact O-N 3.1Å
228	E	96.9	Very high	96.9	Very high	131 Å²	131	48.2 Å²	48.2	61%	0.612	23%	0.229	S	C	*	.	H	α-helix	trans	-61.1	-42.6	179.5	-62.8	179	177.5	0	0	113	P208 T226 F232	P208-E228 HydrophobicContact CB-CB 4.22Å; T226-E228 VanDerWaalsContact C-N 3.31Å; T226-E228 PolarHBondContact OG1-N 3.19Å; E228-F232 VanDerWaalsContact O-CB 3.26Å; E228-F232 WeakPolarHBondContact O-CB 3.47Å; E228-F232 PolarHBondContact O-N 3.29Å
229	E	98	Very high	96.8	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.023	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-42.2	177.1	-72.2	168.4	157.1	0	0	111.2	P208 L209 M212 L225 T226 Q227 V233	P208-E229 WeakPolarHBondContact O-CG 3.19Å; L209-E229 HydrophobicContact CD2-CB 4.16Å; L209-E229 HydrophobicContact CD2-CG 4.17Å; M212-E229 WeakPolarHBondContact CA-OE1 3.34Å; M212-E229 PolarHBondContact N-OE1 3.42Å; L225-E229 VanDerWaalsContact CA-OE2 3.3Å; L225-E229 WeakPolarHBondContact CA-OE2 2.91Å; L225-E229 HydrophobicContact CB-CB 4.37Å; L225-E229 HydrophobicContact CD2-CB 4.09Å; T226-E229 PolarHBondContact N-OE2 2.85Å; T226-E229 PolarHBondContact O-N 3.08Å; T226-E229 VanDerWaalsContact OG1-CG 3.3Å; T226-E229 WeakPolarHBondContact OG1-CG 3.48Å; T226-E229 PolarHBondContact OG1-N 3.29Å; Q227-E229 PolarHBondContact O-N 3.02Å; E229-V233 VanDerWaalsContact O-CG2 3.31Å; E229-V233 WeakPolarHBondContact O-CG2 3.46Å; E229-V233 PolarHBondContact O-N 3.06Å; E229-V233 VanDerWaalsContact O-N 3.12Å
230	F	98.3	Very high	96.3	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-48.9	179.4	-171.4	-99.7	0	0	0	111.6	H73 Q127 F129 L225 T226 Q227 F232 V233 L234	H73-F230 HydrophobicContact CB-CB 3.96Å; H73-F230 HydrophobicContact CB-CD2 3.52Å; H73-F230 HydrophobicContact CB-CE2 4.13Å; H73-F230 HydrophobicContact CB-CG 3.77Å; H73-F230 VanDerWaalsContact CD2-CB 3.44Å; H73-F230 WeakPolarHBondContact CD2-CB 3.41Å; H73-F230 AromaticContact CD2-CD1 3.67Å; H73-F230 AromaticContact CD2-CG 3.49Å; H73-F230 VanDerWaalsContact CD2-CG 3.49Å; H73-F230 WeakPolarHBondContact CD2-CG 3.2Å; H73-F230 AromaticContact CE1-CD1 3.8Å; H73-F230 AromaticContact CE1-CE1 3.87Å; H73-F230 AromaticContact CG-CD1 3.8Å; H73-F230 AromaticContact CG-CD2 3.63Å; H73-F230 AromaticContact CG-CG 3.46Å; H73-F230 VanDerWaalsContact CG-CG 3.46Å; H73-F230 AromaticContact ND1-CD1 3.92Å; H73-F230 AromaticContact ND1-CE1 3.92Å; H73-F230 AromaticContact ND1-CG 3.99Å; H73-F230 AromaticContact NE2-CD1 3.68Å; Q127-F230 HydrophobicContact CB-CE2 4.44Å; Q127-F230 HydrophobicContact CB-CZ 3.98Å; F129-F230 HydrophobicContact CD1-CE2 4.24Å; F129-F230 AromaticContact CD2-CD2 3.9Å; F129-F230 HydrophobicContact CD2-CD2 3.9Å; F129-F230 HydrophobicContact CD2-CE2 4Å; F129-F230 HydrophobicContact CE1-CD2 4.33Å; F129-F230 AromaticContact CE1-CE2 3.82Å; F129-F230 HydrophobicContact CE1-CE2 3.82Å; F129-F230 HydrophobicContact CE1-CZ 4.32Å; F129-F230 AromaticContact CE2-CD2 3.26Å; F129-F230 HydrophobicContact CE2-CD2 3.26Å; F129-F230 AromaticContact CE2-CE2 3.57Å; F129-F230 HydrophobicContact CE2-CE2 3.57Å; F129-F230 HydrophobicContact CE2-CG 4.11Å; F129-F230 HydrophobicContact CG-CE2 4.31Å; F129-F230 AromaticContact CZ-CD2 3.5Å; F129-F230 HydrophobicContact CZ-CD2 3.5Å; F129-F230 AromaticContact CZ-CE2 3.46Å; F129-F230 HydrophobicContact CZ-CE2 3.46Å; F129-F230 VanDerWaalsContact CZ-CE2 3.46Å; F129-F230 HydrophobicContact CZ-CG 4.19Å; F129-F230 HydrophobicContact CZ-CZ 4.12Å; L225-F230 HydrophobicContact CD1-CD2 4.27Å; T226-F230 WeakPolarHBondContact O-CB 3.16Å; T226-F230 PolarHBondContact O-N 2.77Å; T226-F230 VanDerWaalsContact O-N 3.08Å; Q227-F230 PolarHBondContact O-N 2.56Å; F230-F232 VanDerWaalsContact C-N 3.34Å; F230-F232 PolarHBondContact O-N 2.9Å; F230-V233 PolarHBondContact O-N 3.36Å; F230-L234 HydrophobicContact CD1-CD1 3.86Å; F230-L234 HydrophobicContact CD1-CG 4.27Å; F230-L234 HydrophobicContact CE1-CD1 3.5Å; F230-L234 HydrophobicContact CE1-CG 4.09Å; F230-L234 HydrophobicContact CZ-CD1 4.26Å; F230-L234 WeakPolarHBondContact O-CG 3.05Å; F230-L234 PolarHBondContact O-N 2.93Å
231	D	97.9	Very high	95.3	Very high	76 Å²	76	45.9 Å²	45.9	41%	0.406	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-38.9	-179.5	-67.8	-22.6	0	0	0	111.9	Q227 L234 S235	Q227-D231 WeakPolarHBondContact CG-OD2 3.43Å; Q227-D231 PolarHBondContact NE2-OD1 2.95Å; Q227-D231 PolarHBondContact NE2-OD2 2.84Å; Q227-D231 WeakPolarHBondContact O-CB 3.46Å; Q227-D231 VanDerWaalsContact O-CG 3.26Å; Q227-D231 PolarHBondContact O-N 3.1Å; D231-L234 PolarHBondContact O-N 3.46Å; D231-S235 PolarHBondContact O-N 3.1Å
232	F	98.1	Very high	93.6	Very high	35 Å²	35	54.2 Å²	54.2	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-44.2	175	-173.7	-86.3	0	0	0	111.7	H198 H202 P208 L209 E228 F230 L234 S235 L236	H198-F232 HydrophobicContact CB-CE1 3.9Å; H198-F232 HydrophobicContact CB-CZ 4.25Å; H198-F232 AromaticContact CG-CE1 3.77Å; H198-F232 AromaticContact CG-CZ 3.87Å; H198-F232 AromaticContact ND1-CE1 3.94Å; H198-F232 AromaticContact ND1-CZ 3.54Å; H202-F232 AromaticContact CE1-CD2 3.98Å; H202-F232 AromaticContact CE1-CE1 3.68Å; H202-F232 AromaticContact CE1-CE2 3.49Å; H202-F232 VanDerWaalsContact CE1-CE2 3.49Å; H202-F232 WeakPolarHBondContact CE1-CE2 3.28Å; H202-F232 AromaticContact CE1-CZ 3.34Å; H202-F232 WeakPolarHBondContact CE1-CZ 3.48Å; H202-F232 AromaticContact NE2-CE2 3.87Å; H202-F232 AromaticContact NE2-CZ 3.84Å; P208-F232 HydrophobicContact CB-CB 3.97Å; P208-F232 HydrophobicContact CB-CD2 4.34Å; P208-F232 HydrophobicContact CB-CG 4.23Å; P208-F232 HydrophobicContact CG-CB 4.32Å; P208-F232 HydrophobicContact CG-CD2 3.95Å; P208-F232 HydrophobicContact CG-CG 4.33Å; L209-F232 HydrophobicContact CD1-CD1 3.57Å; L209-F232 HydrophobicContact CD1-CE1 3.71Å; L209-F232 HydrophobicContact CD2-CB 4.3Å; L209-F232 HydrophobicContact CD2-CD1 3.92Å; L209-F232 HydrophobicContact CD2-CG 4.37Å; L209-F232 HydrophobicContact CG-CD1 3.62Å; L209-F232 HydrophobicContact CG-CE1 4.08Å; L209-F232 HydrophobicContact CG-CG 4.27Å; E228-F232 VanDerWaalsContact O-CB 3.26Å; E228-F232 WeakPolarHBondContact O-CB 3.47Å; E228-F232 PolarHBondContact O-N 3.29Å; F230-F232 VanDerWaalsContact C-N 3.34Å; F230-F232 PolarHBondContact O-N 2.9Å; F232-L234 VanDerWaalsContact C-N 3.26Å; F232-L234 PolarHBondContact O-N 3.08Å; F232-S235 PolarHBondContact O-N 3.34Å; F232-S235 VanDerWaalsContact O-N 3.15Å; F232-S235 PolarHBondContact O-OG 3.35Å; F232-L236 HydrophobicContact CD1-CG 4.49Å; F232-L236 HydrophobicContact CE1-CD1 4.17Å; F232-L236 HydrophobicContact CE1-CD2 3.92Å; F232-L236 HydrophobicContact CE1-CG 4.13Å; F232-L236 HydrophobicContact CZ-CD2 4.19Å; F232-L236 PolarHBondContact O-N 2.98Å
233	V	98.1	Very high	93.3	Very high	1 Å²	1	57 Å²	57	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-36	176.3	171.6	0	0	0	0	111.2	F129 I140 L209 M212 E229 F230 L236	F129-V233 HydrophobicContact CD2-CG1 4.21Å; F129-V233 HydrophobicContact CE1-CG1 3.97Å; F129-V233 HydrophobicContact CE2-CB 3.67Å; F129-V233 HydrophobicContact CE2-CG1 3.5Å; F129-V233 VanDerWaalsContact CE2-CG1 3.5Å; F129-V233 HydrophobicContact CE2-CG2 4.27Å; F129-V233 HydrophobicContact CZ-CB 3.71Å; F129-V233 HydrophobicContact CZ-CG1 3.37Å; I140-V233 HydrophobicContact CD1-CG1 3.56Å; L209-V233 HydrophobicContact CD2-CG2 4.34Å; M212-V233 HydrophobicContact CE-CG2 4.17Å; E229-V233 VanDerWaalsContact O-CG2 3.31Å; E229-V233 WeakPolarHBondContact O-CG2 3.46Å; E229-V233 PolarHBondContact O-N 3.06Å; E229-V233 VanDerWaalsContact O-N 3.12Å; F230-V233 PolarHBondContact O-N 3.36Å; V233-L236 WeakPolarHBondContact O-CB 3.29Å; V233-L236 PolarHBondContact O-N 2.84Å
234	L	97.9	Very high	93.1	Very high	40 Å²	40	59.9 Å²	59.9	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-36.1	173.8	-68.1	-175	0	0	0	112.6	F129 I143 F230 D231 F232 L236 E237	F129-L234 HydrophobicContact CE1-CD2 3.75Å; F129-L234 HydrophobicContact CZ-CD2 3.87Å; F129-L234 HydrophobicContact CZ-CG 4.16Å; I143-L234 HydrophobicContact CD1-CD2 3.7Å; F230-L234 HydrophobicContact CD1-CD1 3.86Å; F230-L234 HydrophobicContact CD1-CG 4.27Å; F230-L234 HydrophobicContact CE1-CD1 3.5Å; F230-L234 HydrophobicContact CE1-CG 4.09Å; F230-L234 HydrophobicContact CZ-CD1 4.26Å; F230-L234 WeakPolarHBondContact O-CG 3.05Å; F230-L234 PolarHBondContact O-N 2.93Å; D231-L234 PolarHBondContact O-N 3.46Å; F232-L234 VanDerWaalsContact C-N 3.26Å; F232-L234 PolarHBondContact O-N 3.08Å; L234-L236 PolarHBondContact O-N 2.78Å; L234-E237 VanDerWaalsContact CD2-OE1 3.29Å; L234-E237 WeakPolarHBondContact CD2-OE1 3.12Å; L234-E237 WeakPolarHBondContact O-CB 3.48Å; L234-E237 PolarHBondContact O-N 3Å
235	S	97.6	Very high	92.8	Very high	46 Å²	46	63.3 Å²	63.3	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-31.7	178.7	74.3	0	0	0	0	112.2	D231 F232 E237 E238	D231-S235 PolarHBondContact O-N 3.1Å; F232-S235 PolarHBondContact O-N 3.34Å; F232-S235 VanDerWaalsContact O-N 3.15Å; F232-S235 PolarHBondContact O-OG 3.35Å; S235-E237 PolarHBondContact O-N 3.01Å; S235-E237 VanDerWaalsContact O-N 3.17Å; S235-E238 PolarHBondContact O-N 2.88Å; S235-E238 VanDerWaalsContact O-N 3.07Å
236	L	97.1	Very high	92.5	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.2	-27.9	173.4	-59.7	178.9	0	0	0	112.2	R188 I190 F232 V233 L234 E238 E239	R188-L236 PolarHBondContact NE-O 3.24Å; R188-L236 PolarHBondContact NH2-O 2.98Å; I190-L236 HydrophobicContact CD1-CB 4.07Å; I190-L236 HydrophobicContact CG2-CD1 3.95Å; F232-L236 HydrophobicContact CD1-CG 4.49Å; F232-L236 HydrophobicContact CE1-CD1 4.17Å; F232-L236 HydrophobicContact CE1-CD2 3.92Å; F232-L236 HydrophobicContact CE1-CG 4.13Å; F232-L236 HydrophobicContact CZ-CD2 4.19Å; F232-L236 PolarHBondContact O-N 2.98Å; V233-L236 WeakPolarHBondContact O-CB 3.29Å; V233-L236 PolarHBondContact O-N 2.84Å; L234-L236 PolarHBondContact O-N 2.78Å; L236-E238 PolarHBondContact O-N 3.06Å; L236-E238 VanDerWaalsContact O-N 3.16Å; L236-E239 PolarHBondContact O-N 2.71Å; L236-E239 VanDerWaalsContact O-N 3.12Å
237	E	95.5	Very high	92.2	Very high	8 Å²	8	70.3 Å²	70.3	4%	0.037	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.4	177	-66.9	-167.6	-145.9	0	0	113.5	R184 T186 K187 I190 L234 S235	R184-E237 IonicContact CZ-OE1 2.72Å; R184-E237 IonicContact CZ-OE2 3.46Å; R184-E237 IonicContact NH1-OE1 3.42Å; R184-E237 PolarHBondContact NH1-OE1 3.02Å; R184-E237 VanDerWaalsContact NH1-OE1 3.11Å; R184-E237 IonicContact NH1-OE2 3.11Å; R184-E237 PolarHBondContact NH1-OE2 2.87Å; R184-E237 IonicContact NH2-OE1 3.56Å; R184-E237 PolarHBondContact NH2-OE1 2.9Å; R184-E237 IonicContact NH2-OE2 2.87Å; R184-E237 PolarHBondContact NH2-OE2 2.68Å; T186-E237 WeakPolarHBondContact CA-OE2 3.39Å; T186-E237 HydrophobicContact CG2-CG 4.29Å; K187-E237 HydrophobicContact CB-CB 4.09Å; K187-E237 HydrophobicContact CD-CB 4.2Å; K187-E237 HydrophobicContact CG-CB 4.36Å; K187-E237 WeakPolarHBondContact CG-OE2 3.35Å; K187-E237 PolarHBondContact N-OE2 2.54Å; I190-E237 HydrophobicContact CD1-CG 4.42Å; L234-E237 VanDerWaalsContact CD2-OE1 3.29Å; L234-E237 WeakPolarHBondContact CD2-OE1 3.12Å; L234-E237 WeakPolarHBondContact O-CB 3.48Å; L234-E237 PolarHBondContact O-N 3Å; S235-E237 PolarHBondContact O-N 3.01Å; S235-E237 VanDerWaalsContact O-N 3.17Å
238	E	92.6	Very high	91.9	Very high	128 Å²	128	69.3 Å²	69.3	60%	0.598	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.2	179.7	-49.2	-54.9	153.3	0	0	113.2	K187 S235 L236	K187-E238 WeakPolarHBondContact CD-OE1 3.45Å; K187-E238 WeakPolarHBondContact CE-OE1 3.45Å; K187-E238 IonicContact NZ-OE1 2.68Å; K187-E238 PolarHBondContact NZ-OE1 3.29Å; K187-E238 IonicContact NZ-OE2 2.57Å; K187-E238 PolarHBondContact NZ-OE2 3.2Å; S235-E238 PolarHBondContact O-N 2.88Å; S235-E238 VanDerWaalsContact O-N 3.07Å; L236-E238 PolarHBondContact O-N 3.06Å; L236-E238 VanDerWaalsContact O-N 3.16Å
239	E	89.3	Confident	91.5	Very high	76 Å²	76	64.9 Å²	64.9	36%	0.355	32%	0.323	S	S	.	.	S	Bend	trans	-83.7	147.1	-175.8	-65.2	-179.6	-159	0	0	111.1	R188 L236	R188-E239 PolarHBondContact NE-O 3.25Å; L236-E239 PolarHBondContact O-N 2.71Å; L236-E239 VanDerWaalsContact O-N 3.12Å
240	K	82.1	Confident	91	Very high	182 Å²	182	69.5 Å²	69.5	79%	0.791	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-68.6	136.8	173.3	-70.5	-176.3	-178.5	178.3	0	108.9	H242	K240-H242 PolarHBondContact O-N 3.06Å
241	P	78.3	Confident	90.4	Very high	94 Å²	94	75 Å²	75	61%	0.61	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-53.2	135.9	173.7	-21.9	30.6	0	0	0	111
242	H	60.8	Low	89.8	Confident	214 Å²	214	74.9 Å²	74.9	99%	0.991	37%	0.37	S	S	*	.			trans	-84.5	0	174	-67.4	-52.2	0	0	0	112	K240	K240-H242 PolarHBondContact O-N 3.06Å

Retrieved 242 of 242 residues in 62.8 ms (Link to these results)

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