A0A087X8P5_POEFO Loading...

Mimecan

Induces bone formation in conjunction with TGF-beta-1 or TGF-beta-2.

AlphaFold DB , UniProt , Accession A0A087X8P5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 280 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	37.3	Very low	36.4	Very low	240 Å²	240	140.3 Å²	140.3	100%	1.182	78%	0.781	S	S	*	*				0	113.2	0	-67.2	-175.1	-82.1	0	0	106.6
2	K	38.4	Very low	36	Very low	200 Å²	200	140.4 Å²	140.4	87%	0.87	78%	0.777	S	S	*	*			cis	-149.2	130.4	9.4	-65.9	163.6	172.8	176.6	0	103
3	A	34.6	Very low	35.7	Very low	87 Å²	87	149.8 Å²	149.8	72%	0.719	79%	0.794	S	S	*	*				61.9	115.5	56.6	0	0	0	0	0	115.8
4	L	41.7	Very low	35.4	Very low	142 Å²	142	148.6 Å²	148.6	74%	0.743	79%	0.787	S	S	*	*			trans	79.2	138.2	148	-72.5	149	0	0	0	117.2	I6	L4-I6 HydrophobicContact CD2-CD1 3.86Å
5	L	38.2	Very low	35.2	Very low	139 Å²	139	147 Å²	147	73%	0.728	79%	0.786	S	S	*	*			cis	-157.6	140.7	30.1	-91.1	116	0	0	0	109.1
6	I	38.5	Very low	35.2	Very low	121 Å²	121	144.5 Å²	144.5	62%	0.621	79%	0.792	S	S	*	*				67.7	123.7	78.6	-62	165.2	0	0	0	111.1	L4	L4-I6 HydrophobicContact CD2-CD1 3.86Å
7	T	38.8	Very low	35	Very low	124 Å²	124	142.1 Å²	142.1	76%	0.761	80%	0.795	S	S	*	*				-178.9	138.7	59.5	5.2	0	0	0	0	106.7
8	C	31.9	Very low	35	Very low	114 Å²	114	140.7 Å²	140.7	77%	0.77	80%	0.797	S	S	*	*				81	150.1	80.8	-150.3	0	0	0	0	115.9
9	L	32.9	Very low	34.8	Very low	153 Å²	153	137.9 Å²	137.9	80%	0.801	79%	0.793	S	S	*	*			trans	104.3	129.1	178.8	-55.5	162.1	0	0	0	113.8
10	L	33.7	Very low	34.6	Very low	149 Å²	149	142.9 Å²	142.9	78%	0.78	80%	0.798	S	S	*	*			cis	-169.6	150.6	3.1	-112.8	164.7	0	0	0	110.9
11	A	34.2	Very low	34.5	Very low	74 Å²	74	142 Å²	142	61%	0.612	80%	0.797	S	S	*	*			trans	59.1	117.6	143.5	0	0	0	0	0	121.6
12	L	31.4	Very low	34	Very low	142 Å²	142	140 Å²	140	74%	0.743	78%	0.782	S	S	*	*				69.8	104.3	74.3	-98.9	143.1	0	0	0	114	L14	L12-L14 HydrophobicContact CD2-CD1 4.01Å; L12-L14 HydrophobicContact CD2-CG 4.41Å
13	W	32.3	Very low	33.9	Very low	263 Å²	263	136.7 Å²	136.7	100%	0.996	78%	0.778	S	S	*	*			trans	-133.7	128.3	147.8	-89.2	70.9	0	0	0	110.4
14	L	32.3	Very low	33.8	Very low	132 Å²	132	137.7 Å²	137.7	69%	0.691	78%	0.777	S	S	*	*			trans	-90	143.9	-175.8	-91.1	134.7	0	0	0	111.8	L12	L12-L14 HydrophobicContact CD2-CD1 4.01Å; L12-L14 HydrophobicContact CD2-CG 4.41Å
15	T	32.3	Very low	33.4	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	77%	0.773	S	S	*	*			trans	27.2	129.9	141.1	61.8	0	0	0	0	121.6
16	A	34.4	Very low	33.2	Very low	107 Å²	107	137 Å²	137	88%	0.884	78%	0.777	S	S	*	*			trans	-147.8	101.5	133.5	0	0	0	0	0	110.1
17	A	32.2	Very low	32.8	Very low	103 Å²	103	140.6 Å²	140.6	85%	0.851	78%	0.782	S	S	*	*			trans	-86.3	129	164.2	0	0	0	0	0	108.3
18	S	34.1	Very low	32.4	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	79%	0.791	S	S	*	*			trans	-105.4	99.4	168.4	-172.2	0	0	0	0	108.6
19	A	31.2	Very low	32.5	Very low	89 Å²	89	148.5 Å²	148.5	74%	0.736	80%	0.795	S	S	*	*			trans	-83.1	113.9	166.2	0	0	0	0	0	108.2
20	R	32	Very low	32.5	Very low	237 Å²	237	147.3 Å²	147.3	89%	0.894	80%	0.796	S	S	*	*			trans	-90.6	104.9	159.9	-86.4	-176.3	176.5	175.5	-0.5	108
21	T	32	Very low	32.4	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	80%	0.8	S	S	*	*			trans	-69.8	123.8	172.6	40.5	0	0	0	0	110.8
22	F	27.1	Very low	32.2	Very low	199 Å²	199	145.7 Å²	145.7	87%	0.873	81%	0.806	S	S	*	*			trans	-57.1	134.4	160.5	-125.6	-110.2	0	0	0	110.2
23	V	35.6	Very low	32.2	Very low	130 Å²	130	146.7 Å²	146.7	79%	0.788	81%	0.811	S	S	*	*			trans	-123.6	120.6	167.2	178	0	0	0	0	107.6
24	P	33.2	Very low	32.4	Very low	107 Å²	107	139.7 Å²	139.7	70%	0.695	80%	0.8	S	S	*	*			trans	-100.3	136.8	176.1	33.5	-26.3	0	0	0	113.5
25	E	33.3	Very low	32.3	Very low	143 Å²	143	141.6 Å²	141.6	67%	0.668	81%	0.811	S	S	*	*			trans	54.4	148.4	146.8	-111.6	-174	-169.6	0	0	120.8	R27	E25-R27 IonicContact OE1-NE 3.87Å; E25-R27 WeakPolarHBondContact OE2-CG 3.48Å; E25-R27 IonicContact OE2-NE 3.26Å; E25-R27 PolarHBondContact OE2-NE 2.85Å
26	P	34.3	Very low	32.2	Very low	123 Å²	123	138.3 Å²	138.3	80%	0.799	80%	0.801	S	S	*	*				-142.8	153.1	84.4	35	-16.6	0	0	0	116.9
27	R	30.1	Very low	31.8	Very low	197 Å²	197	144.1 Å²	144.1	74%	0.743	80%	0.802	S	S	*	*			trans	-55.6	140.2	170.7	-59.8	168.3	-179.5	-167.1	-8.8	113.2	E25	E25-R27 IonicContact OE1-NE 3.87Å; E25-R27 WeakPolarHBondContact OE2-CG 3.48Å; E25-R27 IonicContact OE2-NE 3.26Å; E25-R27 PolarHBondContact OE2-NE 2.85Å
28	L	30.6	Very low	32	Very low	179 Å²	179	146.9 Å²	146.9	94%	0.937	80%	0.801	S	S	*	*			trans	-108	120.8	160.8	-85.3	153.4	0	0	0	109.4
29	R	34.4	Very low	31.8	Very low	226 Å²	226	145.9 Å²	145.9	85%	0.853	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.5	156.9	169.3	-78	-174	175.7	-170.2	-0.3	110.4
30	P	31.9	Very low	31.7	Very low	128 Å²	128	150 Å²	150	83%	0.831	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-79.4	134	-178.1	-1.6	19.9	0	0	0	111.8
31	G	30.8	Very low	31.5	Very low	84 Å²	84	148.8 Å²	148.8	87%	0.866	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-85.2	126.8	171.1	0	0	0	0	0	111.9
32	S	30.5	Very low	31.6	Very low	105 Å²	105	150 Å²	150	73%	0.734	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-91.6	152.2	168.1	52.7	0	0	0	0	111.8
33	L	31.3	Very low	31.7	Very low	162 Å²	162	150.1 Å²	150.1	85%	0.848	80%	0.796	S	S	*	*			trans	146.5	159.4	146.6	-81.8	158.5	0	0	0	110.5
34	P	37.3	Very low	31.4	Very low	116 Å²	116	150 Å²	150	75%	0.753	80%	0.801	S	S	*	*			cis	-132.9	171.3	-42.2	31.8	-13.3	0	0	0	114
35	N	29.9	Very low	31.4	Very low	173 Å²	173	156.4 Å²	156.4	93%	0.925	81%	0.811	S	S	*	*			trans	-49.1	152	168	-90.8	-18.6	0	0	0	115.9
36	G	30.5	Very low	31.4	Very low	55 Å²	55	161.9 Å²	161.9	57%	0.567	83%	0.826	S	S	*	*			trans	171	102.9	148.4	0	0	0	0	0	116.8
37	Y	26	Very low	31.2	Very low	229 Å²	229	160.2 Å²	160.2	90%	0.898	82%	0.822	S	S	*	*			trans	65.1	132.7	149.1	-55.2	-87.1	0	0	0	117.6
38	I	35.8	Very low	31.4	Very low	161 Å²	161	162.3 Å²	162.3	83%	0.826	83%	0.83	S	S	*	*				-170.7	143.7	68.4	-81.7	177.6	0	0	0	110.6
39	S	29.5	Very low	31.5	Very low	97 Å²	97	166 Å²	166	68%	0.678	83%	0.832	S	S	*	*			trans	70.8	107.2	150	-151.8	0	0	0	0	122.6
40	E	28.9	Very low	31.4	Very low	175 Å²	175	160 Å²	160	82%	0.818	83%	0.83	S	S	*	*			trans	-26.9	141.3	138.5	-64.6	177.1	120	0	0	115.4
41	Y	28.3	Very low	31.5	Very low	212 Å²	212	161.6 Å²	161.6	83%	0.831	83%	0.831	S	S	*	*			trans	-149.5	105.9	140.3	-117.7	-90.5	0	0	0	110.7
42	L	33.3	Very low	32	Very low	150 Å²	150	163.4 Å²	163.4	79%	0.785	83%	0.827	S	S	*	*			trans	60.2	111.5	145	-60.9	176.7	0	0	0	122.2
43	K	30	Very low	32.4	Very low	200 Å²	200	164.4 Å²	164.4	87%	0.87	83%	0.832	S	S	*	*			trans	-50.7	139.4	149.8	-66	164	176.4	167.2	0	112.4
44	S	29.7	Very low	32.6	Very low	127 Å²	127	161.3 Å²	161.3	89%	0.888	83%	0.829	S	S	*	*				-172.5	142.7	122.2	-96.4	0	0	0	0	115.2
45	R	32.9	Very low	32.6	Very low	243 Å²	243	163.3 Å²	163.3	92%	0.917	83%	0.833	S	S	*	*			trans	-65.6	147.9	-178.7	-62.2	170.6	169.1	-165	-4.3	113
46	R	32.8	Very low	33.4	Very low	258 Å²	258	163.8 Å²	163.8	97%	0.974	83%	0.83	S	S	*	*			trans	-156.9	139.7	136.1	-112.3	171.6	-172.5	174.7	2.3	111.7
47	A	30.1	Very low	34	Very low	88 Å²	88	166.8 Å²	166.8	73%	0.727	84%	0.839	S	S	*	*			trans	-97.1	150.9	-171.3	0	0	0	0	0	112.3
48	R	34.4	Very low	34.4	Very low	241 Å²	241	163.3 Å²	163.3	91%	0.909	84%	0.837	S	S	*	*			trans	58	115	155.6	-61.2	-176.6	-157.7	-154	4.5	119.2
49	R	32.2	Very low	34.7	Very low	256 Å²	256	159.6 Å²	159.6	97%	0.966	83%	0.83	S	S	*	*				-158	135	119.4	-109.1	170.1	-174.6	-178.4	0.3	110
50	A	33.5	Very low	35.2	Very low	99 Å²	99	160.3 Å²	160.3	82%	0.818	84%	0.835	S	S	*	*			trans	-80.6	146.9	-175.3	0	0	0	0	0	111.9
51	L	34.7	Very low	35.7	Very low	163 Å²	163	161.3 Å²	161.3	85%	0.853	84%	0.842	S	S	*	*			trans	-141.5	127.9	160.7	-99	133.8	0	0	0	106.4
52	P	41.2	Very low	36.2	Very low	121 Å²	121	155.3 Å²	155.3	79%	0.786	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-83.5	134.2	179.3	32.2	-29.3	0	0	0	110
53	P	38	Very low	36.4	Very low	127 Å²	127	153.7 Å²	153.7	83%	0.825	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-86.2	145.7	160.5	8	10.2	0	0	0	110.4
54	A	36.5	Very low	36.8	Very low	96 Å²	96	154.1 Å²	154.1	79%	0.793	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-65.5	162.4	-175.5	0	0	0	0	0	114.1
55	D	37	Very low	37.2	Very low	158 Å²	158	157 Å²	157	85%	0.845	84%	0.836	S	S	*	*			trans	-45	136.9	-178	-58.3	-60.9	0	0	0	115.3	P57	D55-P57 WeakPolarHBondContact O-CD 3.48Å
56	E	46.5	Very low	37.4	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	82%	0.824	S	S	*	*			trans	-66.9	130.6	162.1	-72.3	-92.8	153	0	0	110.4
57	P	42.9	Very low	38	Very low	117 Å²	117	144.5 Å²	144.5	76%	0.76	81%	0.814	S	S	*	*			trans	-104.3	110.3	152.8	26.5	-11.5	0	0	0	110	D55	D55-P57 WeakPolarHBondContact O-CD 3.48Å
58	D	35	Very low	38.7	Very low	157 Å²	157	145 Å²	145	84%	0.84	81%	0.813	S	S	*	*			trans	28.2	106.7	145.1	-143.8	6.1	0	0	0	117.8
59	A	41.4	Very low	39.3	Very low	82 Å²	82	136.2 Å²	136.2	68%	0.678	80%	0.796	S	S	*	*			trans	-67.6	142.6	165.2	0	0	0	0	0	110.8
60	S	39.1	Very low	40.1	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	77%	0.769	S	S	*	*			trans	91.3	70.9	154.2	78.7	0	0	0	0	119.3
61	M	40.8	Very low	40.9	Very low	195 Å²	195	125.1 Å²	125.1	96%	0.961	75%	0.749	S	S	*	*			trans	-122.2	88.1	131.8	-82.1	177	72.2	0	0	108.3
62	A	37.7	Very low	41.9	Very low	87 Å²	87	122.9 Å²	122.9	72%	0.719	74%	0.738	S	S	*	*			trans	-60.2	138.2	163.3	0	0	0	0	0	108.4	K64	A62-K64 PolarHBondContact O-N 3.27Å
63	P	37.2	Very low	43.5	Very low	115 Å²	115	120.2 Å²	120.2	75%	0.747	72%	0.72	S	S	*	*			trans	-59.2	134	170.4	-10.7	23.8	0	0	0	108	E65	P63-E65 VanDerWaalsContact C-N 3.31Å; P63-E65 PolarHBondContact O-N 3.34Å
64	K	39.2	Very low	45.8	Very low	209 Å²	209	114.3 Å²	114.3	91%	0.909	68%	0.682	S	S	*	*			trans	-56.7	101.6	163.3	-76	-179.4	176.3	178.7	0	107	A62 S66	A62-K64 PolarHBondContact O-N 3.27Å; K64-S66 PolarHBondContact O-N 2.82Å; K64-S66 VanDerWaalsContact O-N 3.11Å
65	E	37.2	Very low	48.2	Very low	187 Å²	187	111.9 Å²	111.9	87%	0.874	66%	0.659	S	S	*	*			trans	-56.4	117.5	161.6	-74	-172.4	162.3	0	0	106.6	P63 D67	P63-E65 VanDerWaalsContact C-N 3.31Å; P63-E65 PolarHBondContact O-N 3.34Å; E65-D67 PolarHBondContact O-N 3.11Å
66	S	37.3	Very low	50.6	Low	95 Å²	95	110.8 Å²	110.8	66%	0.664	65%	0.652	S	S	*	*			trans	-53.4	122.7	168	47.9	0	0	0	0	108.6	K64 S68	K64-S66 PolarHBondContact O-N 2.82Å; K64-S66 VanDerWaalsContact O-N 3.11Å; S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 PolarHBondContact O-N 3.26Å
67	D	45.3	Very low	52.5	Low	145 Å²	145	107 Å²	107	78%	0.775	64%	0.637	S	S	*	*	S	Bend	trans	-58.3	86.6	170.2	-177.7	27.3	0	0	0	110.3	E65	E65-D67 PolarHBondContact O-N 3.11Å
68	S	46.4	Very low	54.9	Low	99 Å²	99	101.9 Å²	101.9	69%	0.692	60%	0.604	S	S	*	*			trans	-133.1	38	175.5	70	0	0	0	0	111	S66	S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 PolarHBondContact O-N 3.26Å
69	G	46.3	Very low	57.7	Low	55 Å²	55	98.4 Å²	98.4	57%	0.567	59%	0.588	S	S	*	*	S	Bend	trans	-126.8	-11.6	178.9	0	0	0	0	0	114.4
70	A	48.4	Very low	60.3	Low	48 Å²	48	96.8 Å²	96.8	40%	0.397	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-14.6	-177.8	0	0	0	0	0	114.2	L72 P73	A70-L72 PolarHBondContact O-N 3.15Å; A70-P73 WeakPolarHBondContact O-CD 3.11Å
71	D	51.1	Low	62.8	Low	75 Å²	75	96.1 Å²	96.1	40%	0.401	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-4.1	177.4	-68.2	-38.6	0	0	0	113.3
72	L	56.1	Low	65.1	Low	116 Å²	116	93.1 Å²	93.1	61%	0.607	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	19.9	-170.3	-142.1	75.3	0	0	0	117.7	A70 L76	A70-L72 PolarHBondContact O-N 3.15Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å; L72-L76 WeakPolarHBondContact O-CG 2.99Å
73	P	74.4	Confident	67.6	Low	65 Å²	65	90.3 Å²	90.3	42%	0.422	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-38.9	164.9	29	-26.8	0	0	0	112.7	A70 L76	A70-P73 WeakPolarHBondContact O-CD 3.11Å; P73-L76 PolarHBondContact O-N 3.4Å
74	T	85.2	Confident	70.5	Confident	3 Å²	3	85.6 Å²	85.6	2%	0.018	51%	0.505	C	S	.	.	H	α-helix	trans	-71.7	-44.1	-171.9	-59.6	0	0	0	0	112.1	L76 L77 C78 V85 P98 L99 L100	T74-L76 PolarHBondContact O-N 2.95Å; T74-L77 PolarHBondContact O-N 2.76Å; T74-L77 VanDerWaalsContact O-N 3.17Å; T74-C78 HydrophobicContact CG2-CB 4.5Å; T74-C78 VanDerWaalsContact O-CB 3.27Å; T74-C78 WeakPolarHBondContact O-CB 3.11Å; T74-C78 PolarHBondContact O-N 2.78Å; T74-V85 HydrophobicContact CG2-CG1 4.05Å; T74-P98 HydrophobicContact CG2-CB 3.99Å; T74-P98 HydrophobicContact CG2-CG 3.72Å; T74-L99 WeakPolarHBondContact CB-O 3.48Å; T74-L99 PolarHBondContact OG1-O 2.65Å; T74-L100 HydrophobicContact CG2-CD2 4.32Å
75	C	87.6	Confident	73.2	Confident	45 Å²	45	75.7 Å²	75.7	30%	0.304	46%	0.463	S	S	.	.	H	α-helix	trans	-77	-0.4	179.6	-55.2	0	0	0	0	113.9	C78 C80	C75-C78 CarbonylContact C-O 3.54Å; C75-C78 VanDerWaalsContact C-O 3.32Å; C75-C78 WeakPolarHBondContact CA-O 2.96Å; C75-C80 VanDerWaalsContact CA-SG 3.51Å; C75-C80 HydrophobicContact CB-CB 3.81Å; C75-C80 WeakPolarHBondContact CB-SG 3.39Å; C75-C80 WeakPolarHBondContact SG-CB 3.37Å; C75-C80 CovalentContact SG-SG 2.03Å; C75-C80 PolarHBondContact SG-SG 3.16Å
76	L	86.8	Confident	76	Confident	134 Å²	134	71.1 Å²	71.1	70%	0.702	44%	0.438	S	S	*	.	H	α-helix	trans	-84.4	-31.7	167.3	-68.8	177.3	0	0	0	111.8	L72 P73 T74	L72-L76 WeakPolarHBondContact O-CD1 3.34Å; L72-L76 WeakPolarHBondContact O-CG 2.99Å; P73-L76 PolarHBondContact O-N 3.4Å; T74-L76 PolarHBondContact O-N 2.95Å
77	L	87.8	Confident	78.8	Confident	106 Å²	106	66.6 Å²	66.6	56%	0.555	41%	0.407	S	S	*	.	H	α-helix	trans	-95.1	-26.5	179	-64.9	172.3	0	0	0	112.3	T74 V90	T74-L77 PolarHBondContact O-N 2.76Å; T74-L77 VanDerWaalsContact O-N 3.17Å; L77-V90 WeakPolarHBondContact O-CG1 3.46Å
78	C	93.4	Very high	81.1	Confident	9 Å²	9	64.2 Å²	64.2	6%	0.061	39%	0.391	C	S	.	.	S	Bend	trans	-121.1	163.7	-176.1	-54.1	0	0	0	0	111.3	T74 C75 V85 Y86 C87	T74-C78 HydrophobicContact CG2-CB 4.5Å; T74-C78 VanDerWaalsContact O-CB 3.27Å; T74-C78 WeakPolarHBondContact O-CB 3.11Å; T74-C78 PolarHBondContact O-N 2.78Å; C75-C78 CarbonylContact C-O 3.54Å; C75-C78 VanDerWaalsContact C-O 3.32Å; C75-C78 WeakPolarHBondContact CA-O 2.96Å; C78-V85 HydrophobicContact CB-CG1 4.02Å; C78-Y86 WeakPolarHBondContact CA-O 3.22Å; C78-Y86 VanDerWaalsContact CB-O 3.29Å; C78-Y86 WeakPolarHBondContact CB-O 3.47Å; C78-C87 HydrophobicContact CB-CB 3.98Å; C78-C87 WeakPolarHBondContact CB-SG 3.42Å; C78-C87 WeakPolarHBondContact SG-CB 3.28Å; C78-C87 CovalentContact SG-SG 2.02Å; C78-C87 PolarHBondContact SG-SG 2.54Å
79	V	94.1	Very high	83.2	Confident	84 Å²	84	66.6 Å²	66.6	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.8	174.6	178.7	0	0	0	0	109.6	L81 Y86	V79-L81 HydrophobicContact CG1-CD1 3.81Å; V79-L81 HydrophobicContact CG1-CG 3.89Å; V79-Y86 PolarHBondContact N-O 2.92Å; V79-Y86 WeakPolarHBondContact O-CD2 3.34Å; V79-Y86 PolarHBondContact O-N 3.15Å
80	C	94.2	Very high	85.3	Confident	47 Å²	47	64.8 Å²	64.8	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.9	178.1	-63.7	0	0	0	0	110.8	C75 S84	C75-C80 VanDerWaalsContact CA-SG 3.51Å; C75-C80 HydrophobicContact CB-CB 3.81Å; C75-C80 WeakPolarHBondContact CB-SG 3.39Å; C75-C80 WeakPolarHBondContact SG-CB 3.37Å; C75-C80 CovalentContact SG-SG 2.03Å; C75-C80 PolarHBondContact SG-SG 3.16Å; C80-S84 CarbonylContact C-O 3.09Å; C80-S84 WeakPolarHBondContact CA-O 3.26Å
81	L	92.1	Very high	87.1	Confident	100 Å²	100	68.1 Å²	68.1	52%	0.524	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	114.1	-177.1	-68.2	168.5	0	0	0	110.4	V79 G83 S84 Y86	V79-L81 HydrophobicContact CG1-CD1 3.81Å; V79-L81 HydrophobicContact CG1-CG 3.89Å; L81-G83 VanDerWaalsContact C-N 3.35Å; L81-G83 PolarHBondContact O-N 2.76Å; L81-S84 PolarHBondContact N-O 3.32Å; L81-S84 WeakPolarHBondContact O-CA 3.25Å; L81-S84 VanDerWaalsContact O-CB 3.25Å; L81-S84 WeakPolarHBondContact O-CB 3.31Å; L81-S84 PolarHBondContact O-N 3.1Å; L81-S84 PolarHBondContact O-OG 2.96Å; L81-Y86 HydrophobicContact CB-CE2 4.37Å; L81-Y86 HydrophobicContact CD1-CE2 4.31Å
82	S	88.6	Confident	88.8	Confident	132 Å²	132	69.4 Å²	69.4	92%	0.923	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	51.6	169.4	-59	0	0	0	0	114.1	S84	S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact O-N 3.18Å
83	G	91.9	Very high	90.3	Very high	28 Å²	28	67.9 Å²	67.9	29%	0.289	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	10.7	-178.7	0	0	0	0	0	114.7	L81 T104 A105 Y106	L81-G83 VanDerWaalsContact C-N 3.35Å; L81-G83 PolarHBondContact O-N 2.76Å; G83-T104 CarbonylContact O-C 3.6Å; G83-T104 WeakPolarHBondContact O-CA 3.38Å; G83-A105 PolarHBondContact O-N 3.23Å; G83-Y106 PolarHBondContact O-N 3.26Å; G83-Y106 VanDerWaalsContact O-N 3.12Å
84	S	96.8	Very high	91.1	Very high	15 Å²	15	65.7 Å²	65.7	11%	0.105	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.4	171.6	-50.1	0	0	0	0	110.1	C80 L81 S82 Y106	C80-S84 CarbonylContact C-O 3.09Å; C80-S84 WeakPolarHBondContact CA-O 3.26Å; L81-S84 PolarHBondContact N-O 3.32Å; L81-S84 WeakPolarHBondContact O-CA 3.25Å; L81-S84 VanDerWaalsContact O-CB 3.25Å; L81-S84 WeakPolarHBondContact O-CB 3.31Å; L81-S84 PolarHBondContact O-N 3.1Å; L81-S84 PolarHBondContact O-OG 2.96Å; S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact O-N 3.18Å; S84-Y106 CarbonylContact C-O 3.09Å; S84-Y106 VanDerWaalsContact CA-O 3.3Å; S84-Y106 WeakPolarHBondContact CA-O 3.44Å; S84-Y106 WeakPolarHBondContact OG-CD2 3.45Å
85	V	96.8	Very high	91.5	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.012	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.3	177.1	179.1	0	0	0	0	108.6	T74 C78 L100 T104 Y106 L107 Y108	T74-V85 HydrophobicContact CG2-CG1 4.05Å; C78-V85 HydrophobicContact CB-CG1 4.02Å; V85-L100 HydrophobicContact CG1-CD2 4.31Å; V85-T104 HydrophobicContact CB-CG2 4.24Å; V85-T104 HydrophobicContact CG2-CG2 3.64Å; V85-Y106 PolarHBondContact N-O 3.47Å; V85-L107 HydrophobicContact CB-CD1 4.05Å; V85-L107 HydrophobicContact CG1-CD1 4.02Å; V85-Y108 PolarHBondContact O-N 3.04Å
86	Y	96.4	Very high	91.9	Very high	91 Å²	91	70.4 Å²	70.4	36%	0.357	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	107	179.9	-57.2	-91.1	0	0	0	109.7	C78 V79 L81 Y108	C78-Y86 WeakPolarHBondContact CA-O 3.22Å; C78-Y86 VanDerWaalsContact CB-O 3.29Å; C78-Y86 WeakPolarHBondContact CB-O 3.47Å; V79-Y86 PolarHBondContact N-O 2.92Å; V79-Y86 WeakPolarHBondContact O-CD2 3.34Å; V79-Y86 PolarHBondContact O-N 3.15Å; L81-Y86 HydrophobicContact CB-CE2 4.37Å; L81-Y86 HydrophobicContact CD1-CE2 4.31Å; Y86-Y108 AromaticContact CD1-CD2 3.47Å; Y86-Y108 HydrophobicContact CD1-CD2 3.47Å; Y86-Y108 VanDerWaalsContact CD1-CD2 3.47Å; Y86-Y108 HydrophobicContact CD1-CE2 4.22Å; Y86-Y108 AromaticContact CD1-CG 3.99Å; Y86-Y108 HydrophobicContact CD1-CG 3.99Å; Y86-Y108 AromaticContact CE1-CD2 3.27Å; Y86-Y108 HydrophobicContact CE1-CD2 3.27Å; Y86-Y108 AromaticContact CE1-CE2 3.54Å; Y86-Y108 HydrophobicContact CE1-CE2 3.54Å; Y86-Y108 HydrophobicContact CE1-CG 4.07Å; Y86-Y108 HydrophobicContact CG-CD2 4.32Å; Y86-Y108 AromaticContact CZ-CD2 4Å; Y86-Y108 AromaticContact CZ-CE2 3.97Å
87	C	95.3	Very high	92.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.379	C	S	.	.			trans	-119.1	47	178.8	-57.7	0	0	0	0	110	C78 V90 M94 Y108 A109 N112	C78-C87 HydrophobicContact CB-CB 3.98Å; C78-C87 WeakPolarHBondContact CB-SG 3.42Å; C78-C87 WeakPolarHBondContact SG-CB 3.28Å; C78-C87 CovalentContact SG-SG 2.02Å; C78-C87 PolarHBondContact SG-SG 2.54Å; C87-V90 HydrophobicContact CB-CG1 4.16Å; C87-M94 HydrophobicContact CB-CE 3.78Å; C87-M94 HydrophobicContact CB-SD 4.5Å; C87-Y108 CarbonylContact C-O 3.46Å; C87-Y108 PolarHBondContact N-O 3.09Å; C87-A109 HydrophobicContact CB-CB 4Å; C87-A109 WeakPolarHBondContact O-CA 3.39Å; C87-N112 PolarHBondContact O-ND2 3.21Å
88	E	93.3	Very high	92.4	Very high	95 Å²	95	60.8 Å²	60.8	44%	0.444	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	126.8	179.8	-60.4	-172.5	162.9	0	0	110.2	V90 R110	E88-V90 VanDerWaalsContact C-N 3.32Å; E88-V90 PolarHBondContact O-N 2.68Å; E88-R110 HydrophobicContact CG-CB 4.28Å; E88-R110 WeakPolarHBondContact OE1-CD 3.02Å
89	E	90.8	Very high	92.3	Very high	148 Å²	148	65 Å²	65	69%	0.692	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	49.7	173.9	-159.8	177	-174.4	0	0	113.7	R110	E89-R110 PolarHBondContact N-O 3.23Å; E89-R110 VanDerWaalsContact N-O 3.12Å
90	V	90.2	Very high	92.3	Very high	18 Å²	18	61.3 Å²	61.3	11%	0.109	36%	0.359	C	S	.	.			trans	-73.3	148.6	-176.7	-62.3	0	0	0	0	111.4	L77 C87 E88 P92 D93 M94 N112	L77-V90 WeakPolarHBondContact O-CG1 3.46Å; C87-V90 HydrophobicContact CB-CG1 4.16Å; E88-V90 VanDerWaalsContact C-N 3.32Å; E88-V90 PolarHBondContact O-N 2.68Å; V90-P92 CarbonylContact C-O 3.31Å; V90-P92 CarbonylContact O-C 3.56Å; V90-D93 WeakPolarHBondContact O-CA 3.12Å; V90-D93 PolarHBondContact O-N 2.95Å; V90-M94 HydrophobicContact CG2-CB 3.71Å; V90-N112 WeakPolarHBondContact CG2-OD1 3.5Å; V90-N112 PolarHBondContact N-OD1 3.19Å; V90-N112 VanDerWaalsContact N-OD1 3.15Å
91	S	86.3	Confident	92.3	Very high	118 Å²	118	60.1 Å²	60.1	83%	0.825	35%	0.351	S	S	*	.	S	Bend	trans	-117.6	118.4	177.2	-175.8	0	0	0	0	110.2
92	P	86.3	Confident	92.3	Very high	102 Å²	102	61.1 Å²	61.1	66%	0.662	35%	0.351	S	S	*	.	S	Bend	cis	-70.5	154.8	2.3	30.9	-36.3	0	0	0	113.7	V90 M94	V90-P92 CarbonylContact C-O 3.31Å; V90-P92 CarbonylContact O-C 3.56Å; P92-M94 PolarHBondContact O-N 3.14Å
93	D	88.1	Confident	92.5	Very high	84 Å²	84	61.2 Å²	61.2	45%	0.449	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-50	128.1	178.8	-83.4	-22.6	0	0	0	112.1	V90 T95 K113	V90-D93 WeakPolarHBondContact O-CA 3.12Å; V90-D93 PolarHBondContact O-N 2.95Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-K113 HydrophobicContact CB-CB 4.24Å; D93-K113 HydrophobicContact CB-CG 3.62Å; D93-K113 WeakPolarHBondContact OD2-CE 3.2Å; D93-K113 VanDerWaalsContact OD2-CG 3.23Å; D93-K113 WeakPolarHBondContact OD2-CG 3.44Å
94	M	91.3	Very high	92.7	Very high	18 Å²	18	60 Å²	60	9%	0.089	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.7	122.4	178.9	-171.6	161.7	74	0	0	111.7	C87 V90 P92 S96 P98 A109 N112 K113 I114	C87-M94 HydrophobicContact CB-CE 3.78Å; C87-M94 HydrophobicContact CB-SD 4.5Å; V90-M94 HydrophobicContact CG2-CB 3.71Å; P92-M94 PolarHBondContact O-N 3.14Å; M94-S96 WeakPolarHBondContact CG-O 3.4Å; M94-P98 HydrophobicContact CE-CG 4.31Å; M94-P98 HydrophobicContact SD-CB 4.14Å; M94-P98 VanDerWaalsContact SD-CD 3.53Å; M94-P98 HydrophobicContact SD-CG 3.62Å; M94-A109 HydrophobicContact CE-CB 3.64Å; M94-N112 HydrophobicContact CB-CB 4.01Å; M94-K113 CarbonylContact O-C 3.36Å; M94-K113 WeakPolarHBondContact O-CA 3.45Å; M94-K113 PolarHBondContact O-N 3.2Å; M94-I114 HydrophobicContact CE-CD1 3.87Å; M94-I114 HydrophobicContact CE-CG1 4.45Å; M94-I114 HydrophobicContact CG-CG1 4.46Å; M94-I114 PolarHBondContact O-N 3.28Å; M94-I114 VanDerWaalsContact O-N 3.08Å
95	T	94.5	Very high	92.8	Very high	80 Å²	80	60.1 Å²	60.1	49%	0.491	33%	0.326	S	S	.	.			trans	-101.8	-11	-176.2	57.6	0	0	0	0	115.4	D93 K113 I114 K115	D93-T95 PolarHBondContact O-N 3.36Å; T95-K113 WeakPolarHBondContact CA-O 3.27Å; T95-K113 HydrophobicContact CG2-CB 4.38Å; T95-I114 WeakPolarHBondContact O-CA 3.05Å; T95-K115 PolarHBondContact O-N 3.2Å
96	S	94.9	Very high	92.8	Very high	67 Å²	67	63.9 Å²	63.9	47%	0.469	34%	0.34	S	S	.	.	S	Bend	trans	-144.8	159.7	179.7	54.4	0	0	0	0	109.7	M94	M94-S96 WeakPolarHBondContact CG-O 3.4Å
97	V	94.6	Very high	92.9	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.079	32%	0.324	C	S	.	.			trans	-64.1	127.9	171.7	-177.5	0	0	0	0	108.6	I114 I117 D121 F122	V97-I114 HydrophobicContact CG2-CG2 4.39Å; V97-I117 HydrophobicContact CG2-CG1 4.43Å; V97-D121 HydrophobicContact CB-CB 3.89Å; V97-D121 HydrophobicContact CG1-CB 4.16Å; V97-D121 HydrophobicContact CG2-CB 4.2Å; V97-F122 HydrophobicContact CG1-CD1 4.38Å; V97-F122 HydrophobicContact CG1-CE1 3.67Å; V97-F122 HydrophobicContact CG1-CZ 3.85Å; V97-F122 HydrophobicContact CG2-CE2 4.4Å; V97-F122 HydrophobicContact CG2-CZ 3.91Å
98	P	91.3	Very high	93	Very high	26 Å²	26	61.3 Å²	61.3	17%	0.169	33%	0.33	C	S	.	.			trans	-80.5	164.2	-179.6	36.5	-36.1	0	0	0	110.3	T74 M94 L100	T74-P98 HydrophobicContact CG2-CB 3.99Å; T74-P98 HydrophobicContact CG2-CG 3.72Å; M94-P98 HydrophobicContact CE-CG 4.31Å; M94-P98 HydrophobicContact SD-CB 4.14Å; M94-P98 VanDerWaalsContact SD-CD 3.53Å; M94-P98 HydrophobicContact SD-CG 3.62Å; P98-L100 HydrophobicContact CG-CD2 4.24Å; P98-L100 PolarHBondContact O-N 2.98Å; P98-L100 VanDerWaalsContact O-N 3.09Å
99	L	91.6	Very high	93.2	Very high	97 Å²	97	56.8 Å²	56.8	51%	0.508	31%	0.309	S	S	.	.			trans	-68.9	109.4	178.1	-174.2	66.7	0	0	0	110.1	T74	T74-L99 WeakPolarHBondContact CB-O 3.48Å; T74-L99 PolarHBondContact OG1-O 2.65Å
100	L	93.8	Very high	93.5	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.29	C	S	.	.			trans	-82.8	143.9	-175	-58.9	174	0	0	0	111.2	T74 V85 P98 L107 F122 T125 L128	T74-L100 HydrophobicContact CG2-CD2 4.32Å; V85-L100 HydrophobicContact CG1-CD2 4.31Å; P98-L100 HydrophobicContact CG-CD2 4.24Å; P98-L100 PolarHBondContact O-N 2.98Å; P98-L100 VanDerWaalsContact O-N 3.09Å; L100-L107 HydrophobicContact CD1-CD2 3.93Å; L100-L107 HydrophobicContact CD2-CD1 3.83Å; L100-L107 HydrophobicContact CD2-CD2 4.36Å; L100-F122 HydrophobicContact CD1-CD1 3.91Å; L100-F122 HydrophobicContact CD1-CE1 3.99Å; L100-T125 HydrophobicContact CB-CG2 3.5Å; L100-T125 HydrophobicContact CD1-CG2 4.26Å; L100-L128 HydrophobicContact CD1-CD1 4.18Å
101	P	92.9	Very high	93.8	Very high	21 Å²	21	56.6 Å²	56.6	14%	0.136	30%	0.303	C	S	.	.			trans	-54.2	139.9	167.6	-24.2	33.1	0	0	0	111.1	E103 T104 T125	P101-E103 PolarHBondContact O-N 3.14Å; P101-E103 VanDerWaalsContact O-N 3.14Å; P101-T104 WeakPolarHBondContact CD-OG1 3.4Å; P101-T104 WeakPolarHBondContact O-CB 3.3Å; P101-T104 PolarHBondContact O-N 2.88Å; P101-T104 PolarHBondContact O-OG1 3.49Å; P101-T125 VanDerWaalsContact O-CG2 3.26Å; P101-T125 WeakPolarHBondContact O-CG2 3.23Å
102	K	92.7	Very high	94.3	Very high	122 Å²	122	51 Å²	51	53%	0.53	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.1	-171.6	-68	176.3	-176.4	167.3	0	113.4	T104 T127	K102-T104 VanDerWaalsContact C-N 3.27Å; K102-T104 PolarHBondContact O-N 3Å; K102-T127 PolarHBondContact O-OG1 3.43Å
103	E	93.3	Very high	94.8	Very high	133 Å²	133	50.4 Å²	50.4	62%	0.621	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	2.8	-179	-57.5	70.9	-152.7	0	0	113	P101 A105	P101-E103 PolarHBondContact O-N 3.14Å; P101-E103 VanDerWaalsContact O-N 3.14Å; E103-A105 PolarHBondContact O-N 3Å; E103-A105 VanDerWaalsContact O-N 3.14Å
104	T	96.2	Very high	95.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	23%	0.229	C	C	.	.			trans	-62.6	114.8	-178.9	-56.2	0	0	0	0	111.4	G83 V85 P101 K102 Y106 T127 L128	G83-T104 CarbonylContact O-C 3.6Å; G83-T104 WeakPolarHBondContact O-CA 3.38Å; V85-T104 HydrophobicContact CB-CG2 4.24Å; V85-T104 HydrophobicContact CG2-CG2 3.64Å; P101-T104 WeakPolarHBondContact CD-OG1 3.4Å; P101-T104 WeakPolarHBondContact O-CB 3.3Å; P101-T104 PolarHBondContact O-N 2.88Å; P101-T104 PolarHBondContact O-OG1 3.49Å; K102-T104 VanDerWaalsContact C-N 3.27Å; K102-T104 PolarHBondContact O-N 3Å; T104-Y106 WeakPolarHBondContact CG2-O 3.42Å; T104-T127 PolarHBondContact O-OG1 3.03Å; T104-L128 HydrophobicContact CG2-CD2 3.86Å; T104-L128 WeakPolarHBondContact O-CD2 3.33Å; T104-L128 WeakPolarHBondContact O-CG 3.49Å; T104-L128 PolarHBondContact O-N 3.47Å
105	A	97.9	Very high	95.6	Very high	18 Å²	18	51.6 Å²	51.6	15%	0.149	25%	0.251	C	S	.	.			trans	-95.2	-27.8	174.6	0	0	0	0	0	113	G83 E103 K129 R130	G83-A105 PolarHBondContact O-N 3.23Å; E103-A105 PolarHBondContact O-N 3Å; E103-A105 VanDerWaalsContact O-N 3.14Å; A105-K129 PolarHBondContact O-N 3.45Å; A105-R130 PolarHBondContact O-N 3.45Å
106	Y	98.3	Very high	95.7	Very high	81 Å²	81	51.5 Å²	51.5	32%	0.318	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.4	-177.2	-49.6	-88.6	0	0	0	110.6	G83 S84 V85 T104 K129 R130	G83-Y106 PolarHBondContact O-N 3.26Å; G83-Y106 VanDerWaalsContact O-N 3.12Å; S84-Y106 CarbonylContact C-O 3.09Å; S84-Y106 VanDerWaalsContact CA-O 3.3Å; S84-Y106 WeakPolarHBondContact CA-O 3.44Å; S84-Y106 WeakPolarHBondContact OG-CD2 3.45Å; V85-Y106 PolarHBondContact N-O 3.47Å; T104-Y106 WeakPolarHBondContact CG2-O 3.42Å; Y106-K129 HydrophobicContact CE1-CB 4.42Å; Y106-R130 HydrophobicContact CD1-CB 3.79Å; Y106-R130 HydrophobicContact CE1-CB 4.48Å
107	L	97.9	Very high	95.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126	172.7	174.6	64.9	0	0	0	110.1	V85 L100 A109 F122 L128 R130 I131 D132	V85-L107 HydrophobicContact CB-CD1 4.05Å; V85-L107 HydrophobicContact CG1-CD1 4.02Å; L100-L107 HydrophobicContact CD1-CD2 3.93Å; L100-L107 HydrophobicContact CD2-CD1 3.83Å; L100-L107 HydrophobicContact CD2-CD2 4.36Å; L107-A109 HydrophobicContact CD1-CB 4.15Å; L107-A109 HydrophobicContact CG-CB 4.3Å; L107-F122 HydrophobicContact CD2-CE1 3.74Å; L107-F122 HydrophobicContact CD2-CZ 4.34Å; L107-L128 HydrophobicContact CB-CD2 4.2Å; L107-R130 PolarHBondContact N-O 3.08Å; L107-I131 HydrophobicContact CD2-CG2 4.46Å; L107-D132 PolarHBondContact O-N 3.35Å
108	Y	97.8	Very high	96	Very high	36 Å²	36	48.3 Å²	48.3	14%	0.141	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	103.8	171.3	-55.6	-84	0	0	0	108.4	V85 Y86 C87 R130 D132	V85-Y108 PolarHBondContact O-N 3.04Å; Y86-Y108 AromaticContact CD1-CD2 3.47Å; Y86-Y108 HydrophobicContact CD1-CD2 3.47Å; Y86-Y108 VanDerWaalsContact CD1-CD2 3.47Å; Y86-Y108 HydrophobicContact CD1-CE2 4.22Å; Y86-Y108 AromaticContact CD1-CG 3.99Å; Y86-Y108 HydrophobicContact CD1-CG 3.99Å; Y86-Y108 AromaticContact CE1-CD2 3.27Å; Y86-Y108 HydrophobicContact CE1-CD2 3.27Å; Y86-Y108 AromaticContact CE1-CE2 3.54Å; Y86-Y108 HydrophobicContact CE1-CE2 3.54Å; Y86-Y108 HydrophobicContact CE1-CG 4.07Å; Y86-Y108 HydrophobicContact CG-CD2 4.32Å; Y86-Y108 AromaticContact CZ-CD2 4Å; Y86-Y108 AromaticContact CZ-CE2 3.97Å; C87-Y108 CarbonylContact C-O 3.46Å; C87-Y108 PolarHBondContact N-O 3.09Å; Y108-R130 PolarHBondContact OH-NH1 3.17Å; Y108-D132 HydrophobicContact CD1-CB 3.94Å
109	A	96.9	Very high	96.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	24%	0.243	C	C	.	.			trans	-127.7	51.9	-177.4	0	0	0	0	0	110.9	C87 M94 L107 N112 I114 D132 L133 N136	C87-A109 HydrophobicContact CB-CB 4Å; C87-A109 WeakPolarHBondContact O-CA 3.39Å; M94-A109 HydrophobicContact CE-CB 3.64Å; L107-A109 HydrophobicContact CD1-CB 4.15Å; L107-A109 HydrophobicContact CG-CB 4.3Å; A109-N112 PolarHBondContact O-ND2 3.37Å; A109-I114 HydrophobicContact CB-CD1 4.38Å; A109-D132 PolarHBondContact N-O 3.13Å; A109-L133 HydrophobicContact CB-CD2 3.84Å; A109-N136 PolarHBondContact O-ND2 3.39Å
110	R	97.1	Very high	96.4	Very high	75 Å²	75	54.3 Å²	54.3	28%	0.283	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	153.8	-173.4	-56.7	175.2	70.6	-170.6	2.7	112.1	E88 E89 N112 D132 T134	E88-R110 HydrophobicContact CG-CB 4.28Å; E88-R110 WeakPolarHBondContact OE1-CD 3.02Å; E89-R110 PolarHBondContact N-O 3.23Å; E89-R110 VanDerWaalsContact N-O 3.12Å; R110-N112 VanDerWaalsContact C-N 3.25Å; R110-N112 PolarHBondContact O-N 3.07Å; R110-N112 PolarHBondContact O-ND2 2.03Å; R110-N112 VanDerWaalsContact O-ND2 3.13Å; R110-D132 VanDerWaalsContact CD-OD2 3.32Å; R110-D132 WeakPolarHBondContact CD-OD2 3.41Å; R110-D132 HydrophobicContact CG-CB 4.36Å; R110-D132 IonicContact NE-OD2 3.1Å; R110-T134 CarbonylContact C-O 3.58Å; R110-T134 VanDerWaalsContact CA-O 3.23Å; R110-T134 WeakPolarHBondContact CA-O 3.25Å
111	F	96.8	Very high	96.5	Very high	87 Å²	87	56.3 Å²	56.3	38%	0.382	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	31.1	170.5	-51.6	-62.6	0	0	0	115.2	T134 G135	F111-T134 PolarHBondContact N-O 3.43Å; F111-G135 WeakPolarHBondContact CA-O 3.17Å
112	N	96	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-99.2	-159.2	172.6	-63.9	-71.1	0	0	0	111.4	C87 V90 M94 A109 R110 I114 N136	C87-N112 PolarHBondContact O-ND2 3.21Å; V90-N112 WeakPolarHBondContact CG2-OD1 3.5Å; V90-N112 PolarHBondContact N-OD1 3.19Å; V90-N112 VanDerWaalsContact N-OD1 3.15Å; M94-N112 HydrophobicContact CB-CB 4.01Å; A109-N112 PolarHBondContact O-ND2 3.37Å; R110-N112 VanDerWaalsContact C-N 3.25Å; R110-N112 PolarHBondContact O-N 3.07Å; R110-N112 PolarHBondContact O-ND2 2.03Å; R110-N112 VanDerWaalsContact O-ND2 3.13Å; N112-I114 HydrophobicContact CB-CG1 4.42Å; N112-N136 WeakPolarHBondContact CA-OD1 3.36Å; N112-N136 VanDerWaalsContact CB-OD1 3.25Å; N112-N136 WeakPolarHBondContact CB-OD1 3.39Å; N112-N136 PolarHBondContact N-OD1 2.87Å; N112-N136 PolarHBondContact O-OD1 3.18Å
113	K	97.4	Very high	96.7	Very high	90 Å²	90	50 Å²	50	39%	0.391	23%	0.233	S	C	.	.			trans	-120.7	32.3	-179.8	-54.3	-61.5	174.2	-143.9	0	112.3	D93 M94 T95 K115 N136 V137	D93-K113 HydrophobicContact CB-CB 4.24Å; D93-K113 HydrophobicContact CB-CG 3.62Å; D93-K113 WeakPolarHBondContact OD2-CE 3.2Å; D93-K113 VanDerWaalsContact OD2-CG 3.23Å; D93-K113 WeakPolarHBondContact OD2-CG 3.44Å; M94-K113 CarbonylContact O-C 3.36Å; M94-K113 WeakPolarHBondContact O-CA 3.45Å; M94-K113 PolarHBondContact O-N 3.2Å; T95-K113 WeakPolarHBondContact CA-O 3.27Å; T95-K113 HydrophobicContact CG2-CB 4.38Å; K113-K115 WeakPolarHBondContact O-CG 3.35Å; K113-K115 PolarHBondContact O-N 3.38Å; K113-N136 PolarHBondContact N-OD1 2.72Å; K113-V137 HydrophobicContact CB-CG2 4.38Å; K113-V137 WeakPolarHBondContact O-CG2 3.27Å
114	I	97.9	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.			trans	-63.4	124.9	179.5	-57.2	168.9	0	0	0	108.8	M94 T95 V97 A109 N112 L133 N136 V137 I138	M94-I114 HydrophobicContact CE-CD1 3.87Å; M94-I114 HydrophobicContact CE-CG1 4.45Å; M94-I114 HydrophobicContact CG-CG1 4.46Å; M94-I114 PolarHBondContact O-N 3.28Å; M94-I114 VanDerWaalsContact O-N 3.08Å; T95-I114 WeakPolarHBondContact O-CA 3.05Å; V97-I114 HydrophobicContact CG2-CG2 4.39Å; A109-I114 HydrophobicContact CB-CD1 4.38Å; N112-I114 HydrophobicContact CB-CG1 4.42Å; I114-L133 HydrophobicContact CD1-CD2 3.78Å; I114-N136 HydrophobicContact CB-CB 4.25Å; I114-N136 WeakPolarHBondContact CB-OD1 3.32Å; I114-N136 WeakPolarHBondContact CG1-OD1 3.4Å; I114-N136 PolarHBondContact N-OD1 3.13Å; I114-V137 CarbonylContact O-C 3.6Å; I114-V137 WeakPolarHBondContact O-CA 3.42Å; I114-V137 WeakPolarHBondContact O-CG2 3.26Å; I114-V137 PolarHBondContact O-N 2.84Å; I114-V137 VanDerWaalsContact O-N 3.09Å; I114-I138 HydrophobicContact CB-CD1 4.5Å; I114-I138 HydrophobicContact CB-CG1 4.14Å; I114-I138 HydrophobicContact CG2-CD1 4.29Å; I114-I138 HydrophobicContact CG2-CG1 3.98Å; I114-I138 WeakPolarHBondContact O-CA 3.23Å; I114-I138 VanDerWaalsContact O-CG1 3.25Å; I114-I138 WeakPolarHBondContact O-CG1 3.49Å; I114-I138 PolarHBondContact O-N 2.86Å
115	K	97.9	Very high	96.5	Very high	127 Å²	127	48.7 Å²	48.7	55%	0.552	23%	0.231	S	C	*	.			trans	-100.6	-33.1	-173.7	-67.4	177.7	-175.8	176	0	113.9	T95 K113 V137 I138 S139	T95-K115 PolarHBondContact O-N 3.2Å; K113-K115 WeakPolarHBondContact O-CG 3.35Å; K113-K115 PolarHBondContact O-N 3.38Å; K115-V137 HydrophobicContact CG-CG2 3.7Å; K115-I138 WeakPolarHBondContact O-CA 3.49Å; K115-S139 PolarHBondContact O-N 3.32Å
116	K	97.8	Very high	96.4	Very high	78 Å²	78	51.1 Å²	51.1	34%	0.339	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145	-173.8	177	167.9	177.2	158.9	0	110	E140 D142	K116-E140 VanDerWaalsContact CA-O 3.28Å; K116-E140 WeakPolarHBondContact CA-O 3.12Å; K116-E140 HydrophobicContact CD-CB 4.3Å; K116-E140 HydrophobicContact CD-CG 4.29Å; K116-E140 HydrophobicContact CG-CB 4.19Å; K116-E140 VanDerWaalsContact NZ-CD 3.27Å; K116-E140 IonicContact NZ-OE1 2.75Å; K116-E140 PolarHBondContact NZ-OE1 2.86Å; K116-E140 IonicContact NZ-OE2 3.68Å; K116-D142 WeakPolarHBondContact CE-OD1 3.38Å; K116-D142 IonicContact NZ-OD1 2.76Å; K116-D142 PolarHBondContact NZ-OD1 3.09Å; K116-D142 IonicContact NZ-OD2 3.56Å
117	I	98.3	Very high	96.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.5	166.6	-56.9	176.9	0	0	0	108.2	V97 D121 F122 L133 I138 E140 I141 D142 A145 F146 L157	V97-I117 HydrophobicContact CG2-CG1 4.43Å; I117-D121 WeakPolarHBondContact CA-OD2 3.39Å; I117-D121 HydrophobicContact CG2-CB 4.25Å; I117-F122 HydrophobicContact CD1-CE2 4.4Å; I117-F122 HydrophobicContact CG2-CD2 4.08Å; I117-F122 HydrophobicContact CG2-CE2 3.58Å; I117-L133 HydrophobicContact CD1-CD1 3.57Å; I117-L133 HydrophobicContact CG1-CD1 4.47Å; I117-I138 HydrophobicContact CD1-CD1 4.14Å; I117-I138 HydrophobicContact CD1-CG2 4.48Å; I117-I138 HydrophobicContact CG1-CD1 4.32Å; I117-I138 HydrophobicContact CG1-CG2 4.25Å; I117-E140 PolarHBondContact N-O 2.73Å; I117-I141 HydrophobicContact CB-CB 4.46Å; I117-I141 HydrophobicContact CB-CG1 4.15Å; I117-I141 HydrophobicContact CB-CG2 4.12Å; I117-I141 HydrophobicContact CD1-CD1 4Å; I117-I141 HydrophobicContact CD1-CG1 4.05Å; I117-I141 HydrophobicContact CG1-CG1 4.27Å; I117-I141 HydrophobicContact CG2-CG2 4.41Å; I117-D142 PolarHBondContact O-N 2.82Å; I117-A145 HydrophobicContact CG2-CB 3.88Å; I117-F146 HydrophobicContact CD1-CE1 4.31Å; I117-F146 HydrophobicContact CD1-CZ 3.76Å; I117-L157 HydrophobicContact CD1-CD2 4.24Å
118	G	97.6	Very high	96.4	Very high	13 Å²	13	49.6 Å²	49.6	13%	0.134	24%	0.243	C	C	.	.			trans	-79.2	160	176.5	0	0	0	0	0	113.1	N120 D121 D142	G118-N120 PolarHBondContact O-N 3.28Å; G118-N120 VanDerWaalsContact O-N 3.15Å; G118-D121 PolarHBondContact N-OD2 2.99Å; G118-D121 PolarHBondContact O-N 3.14Å; G118-D142 WeakPolarHBondContact CA-OD2 3.15Å
119	K	95.9	Very high	96.4	Very high	126 Å²	126	51.7 Å²	51.7	55%	0.548	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.6	178	-175.3	174.9	176.3	-178.9	0	114	D142	K119-D142 HydrophobicContact CB-CB 4.17Å; K119-D142 PolarHBondContact N-OD2 3.16Å; K119-D142 VanDerWaalsContact N-OD2 3.16Å
120	N	94.7	Very high	96.5	Very high	123 Å²	123	55.4 Å²	55.4	66%	0.658	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-3.7	-173.7	-63.5	-27.5	0	0	0	113.8	G118 F122 G123	G118-N120 PolarHBondContact O-N 3.28Å; G118-N120 VanDerWaalsContact O-N 3.15Å; N120-F122 PolarHBondContact O-N 3.32Å; N120-F122 VanDerWaalsContact O-N 3.15Å; N120-G123 PolarHBondContact O-N 3.43Å
121	D	96.3	Very high	96.6	Very high	49 Å²	49	51.9 Å²	51.9	26%	0.262	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.6	-174.9	-71.4	10.2	0	0	0	112.7	V97 I117 G118	V97-D121 HydrophobicContact CB-CB 3.89Å; V97-D121 HydrophobicContact CG1-CB 4.16Å; V97-D121 HydrophobicContact CG2-CB 4.2Å; I117-D121 WeakPolarHBondContact CA-OD2 3.39Å; I117-D121 HydrophobicContact CG2-CB 4.25Å; G118-D121 PolarHBondContact N-OD2 2.99Å; G118-D121 PolarHBondContact O-N 3.14Å
122	F	96.6	Very high	96.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	24.5	174.9	-52.8	-70.9	0	0	0	112.2	V97 L100 L107 I117 N120 D124 L128 I131 L133 F146 L149	V97-F122 HydrophobicContact CG1-CD1 4.38Å; V97-F122 HydrophobicContact CG1-CE1 3.67Å; V97-F122 HydrophobicContact CG1-CZ 3.85Å; V97-F122 HydrophobicContact CG2-CE2 4.4Å; V97-F122 HydrophobicContact CG2-CZ 3.91Å; L100-F122 HydrophobicContact CD1-CD1 3.91Å; L100-F122 HydrophobicContact CD1-CE1 3.99Å; L107-F122 HydrophobicContact CD2-CE1 3.74Å; L107-F122 HydrophobicContact CD2-CZ 4.34Å; I117-F122 HydrophobicContact CD1-CE2 4.4Å; I117-F122 HydrophobicContact CG2-CD2 4.08Å; I117-F122 HydrophobicContact CG2-CE2 3.58Å; N120-F122 PolarHBondContact O-N 3.32Å; N120-F122 VanDerWaalsContact O-N 3.15Å; F122-D124 VanDerWaalsContact C-N 3.31Å; F122-D124 PolarHBondContact O-N 2.91Å; F122-L128 HydrophobicContact CB-CD1 4.38Å; F122-L128 HydrophobicContact CD1-CD1 3.64Å; F122-L128 HydrophobicContact CE1-CD1 4.34Å; F122-L128 HydrophobicContact CG-CD1 4.34Å; F122-I131 HydrophobicContact CD1-CD1 4.18Å; F122-I131 HydrophobicContact CE1-CD1 4.03Å; F122-I131 HydrophobicContact CE2-CD1 4.4Å; F122-I131 HydrophobicContact CG-CD1 4.44Å; F122-I131 HydrophobicContact CZ-CD1 4.15Å; F122-I131 HydrophobicContact CZ-CG2 4.43Å; F122-L133 HydrophobicContact CZ-CD1 4.35Å; F122-F146 AromaticContact CD2-CD1 3.97Å; F122-F146 HydrophobicContact CD2-CD1 3.97Å; F122-F146 AromaticContact CD2-CE1 3.82Å; F122-F146 HydrophobicContact CD2-CE1 3.82Å; F122-F146 HydrophobicContact CE2-CD1 4.21Å; F122-F146 AromaticContact CE2-CE1 3.58Å; F122-F146 HydrophobicContact CE2-CE1 3.58Å; F122-L149 HydrophobicContact CB-CD1 3.91Å; F122-L149 HydrophobicContact CB-CD2 3.96Å; F122-L149 HydrophobicContact CB-CG 4.22Å; F122-L149 HydrophobicContact CD2-CD1 4.48Å; F122-L149 HydrophobicContact CG-CD1 4.18Å
123	G	91.8	Very high	96.8	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	24%	0.241	C	C	.	.	S	Bend	trans	-66.8	-29.5	-170	0	0	0	0	0	114.5	N120 K148	N120-G123 PolarHBondContact O-N 3.43Å; G123-K148 WeakPolarHBondContact O-CD 3.39Å; G123-K148 PolarHBondContact O-NZ 3.31Å
124	D	91.5	Very high	96.8	Very high	105 Å²	105	45 Å²	45	56%	0.561	22%	0.224	S	C	*	.	S	Bend	trans	-112.8	-5.2	-173	-60.9	-35.1	0	0	0	113.1	F122 V126	F122-D124 VanDerWaalsContact C-N 3.31Å; F122-D124 PolarHBondContact O-N 2.91Å; D124-V126 PolarHBondContact O-N 3.21Å
125	T	94.8	Very high	96.9	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	23%	0.233	C	C	.	.			trans	-103.5	57	-179.6	43.9	0	0	0	0	112.5	L100 P101 T127 L128 L149	L100-T125 HydrophobicContact CB-CG2 3.5Å; L100-T125 HydrophobicContact CD1-CG2 4.26Å; P101-T125 VanDerWaalsContact O-CG2 3.26Å; P101-T125 WeakPolarHBondContact O-CG2 3.23Å; T125-T127 PolarHBondContact O-N 2.88Å; T125-T127 VanDerWaalsContact O-N 3.09Å; T125-L128 WeakPolarHBondContact O-CB 3.4Å; T125-L128 WeakPolarHBondContact O-CG 3.49Å; T125-L128 PolarHBondContact O-N 3.09Å; T125-L128 VanDerWaalsContact OG1-CD1 3.31Å; T125-L128 WeakPolarHBondContact OG1-CD1 3.2Å; T125-L149 VanDerWaalsContact O-CD2 3.3Å; T125-L149 WeakPolarHBondContact O-CD2 3.44Å
126	V	95.5	Very high	96.9	Very high	69 Å²	69	40.1 Å²	40.1	42%	0.418	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.5	-178.4	-60.1	0	0	0	0	114.1	D124 L128 K148	D124-V126 PolarHBondContact O-N 3.21Å; V126-L128 VanDerWaalsContact C-N 3.35Å; V126-K148 HydrophobicContact CG1-CB 4.25Å
127	T	97	Very high	96.9	Very high	50 Å²	50	38 Å²	38	31%	0.307	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.3	178	52.3	0	0	0	0	113.5	K102 T104 T125 K129	K102-T127 PolarHBondContact O-OG1 3.43Å; T104-T127 PolarHBondContact O-OG1 3.03Å; T125-T127 PolarHBondContact O-N 2.88Å; T125-T127 VanDerWaalsContact O-N 3.09Å; T127-K129 PolarHBondContact O-N 2.92Å
128	L	98.3	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.			trans	-57.9	126.6	-179.5	-78.8	167.3	0	0	0	111.8	L100 T104 L107 F122 T125 V126 I131 L149 L151 L152	L100-L128 HydrophobicContact CD1-CD1 4.18Å; T104-L128 HydrophobicContact CG2-CD2 3.86Å; T104-L128 WeakPolarHBondContact O-CD2 3.33Å; T104-L128 WeakPolarHBondContact O-CG 3.49Å; T104-L128 PolarHBondContact O-N 3.47Å; L107-L128 HydrophobicContact CB-CD2 4.2Å; F122-L128 HydrophobicContact CB-CD1 4.38Å; F122-L128 HydrophobicContact CD1-CD1 3.64Å; F122-L128 HydrophobicContact CE1-CD1 4.34Å; F122-L128 HydrophobicContact CG-CD1 4.34Å; T125-L128 WeakPolarHBondContact O-CB 3.4Å; T125-L128 WeakPolarHBondContact O-CG 3.49Å; T125-L128 PolarHBondContact O-N 3.09Å; T125-L128 VanDerWaalsContact OG1-CD1 3.31Å; T125-L128 WeakPolarHBondContact OG1-CD1 3.2Å; V126-L128 VanDerWaalsContact C-N 3.35Å; L128-I131 HydrophobicContact CD1-CD1 4.02Å; L128-I131 HydrophobicContact CD1-CG1 4.24Å; L128-I131 HydrophobicContact CD2-CG1 4.35Å; L128-L149 HydrophobicContact CB-CD2 4.28Å; L128-L149 HydrophobicContact CD1-CD1 4.39Å; L128-L149 HydrophobicContact CD1-CD2 4.2Å; L128-L151 CarbonylContact O-C 3.32Å; L128-L151 VanDerWaalsContact O-C 3.31Å; L128-L152 HydrophobicContact CB-CD1 4.38Å; L128-L152 WeakPolarHBondContact O-CA 3.35Å; L128-L152 PolarHBondContact O-N 3.05Å
129	K	98.4	Very high	97	Very high	79 Å²	79	40.3 Å²	40.3	34%	0.343	22%	0.216	S	C	.	.			trans	-108.6	-32.5	174.9	-63	-173.2	178.9	-174.5	0	112.3	A105 Y106 T127 E153 E154	A105-K129 PolarHBondContact O-N 3.45Å; Y106-K129 HydrophobicContact CE1-CB 4.42Å; T127-K129 PolarHBondContact O-N 2.92Å; K129-E153 PolarHBondContact O-N 2.83Å; K129-E154 PolarHBondContact O-N 3.39Å
130	R	98.8	Very high	97	Very high	79 Å²	79	38.1 Å²	38.1	30%	0.298	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.6	178.2	-176.2	177.6	-73.8	161	-2.4	111.6	A105 Y106 L107 Y108 E154	A105-R130 PolarHBondContact O-N 3.45Å; Y106-R130 HydrophobicContact CD1-CB 3.79Å; Y106-R130 HydrophobicContact CE1-CB 4.48Å; L107-R130 PolarHBondContact N-O 3.08Å; Y108-R130 PolarHBondContact OH-NH1 3.17Å; R130-E154 WeakPolarHBondContact CA-O 3.44Å; R130-E154 HydrophobicContact CB-CB 4.31Å; R130-E154 HydrophobicContact CG-CB 3.97Å; R130-E154 IonicContact CZ-OE1 2.86Å; R130-E154 IonicContact CZ-OE2 3.69Å; R130-E154 IonicContact NE-OE1 2.78Å; R130-E154 IonicContact NE-OE2 3.9Å; R130-E154 PolarHBondContact NE-OE2 2.94Å; R130-E154 IonicContact NH2-OE1 2.71Å; R130-E154 PolarHBondContact NH2-OE1 3.02Å; R130-E154 IonicContact NH2-OE2 3.65Å; R130-E154 PolarHBondContact NH2-OE2 2.79Å
131	I	98.6	Very high	97.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.8	170	-64.1	169.8	0	0	0	108.6	L107 F122 L128 L133 F146 L149 L152 E154 L155 S156	L107-I131 HydrophobicContact CD2-CG2 4.46Å; F122-I131 HydrophobicContact CD1-CD1 4.18Å; F122-I131 HydrophobicContact CE1-CD1 4.03Å; F122-I131 HydrophobicContact CE2-CD1 4.4Å; F122-I131 HydrophobicContact CG-CD1 4.44Å; F122-I131 HydrophobicContact CZ-CD1 4.15Å; F122-I131 HydrophobicContact CZ-CG2 4.43Å; L128-I131 HydrophobicContact CD1-CD1 4.02Å; L128-I131 HydrophobicContact CD1-CG1 4.24Å; L128-I131 HydrophobicContact CD2-CG1 4.35Å; I131-L133 HydrophobicContact CG2-CD1 3.72Å; I131-L133 HydrophobicContact CG2-CG 3.69Å; I131-F146 HydrophobicContact CD1-CE1 4.41Å; I131-L149 HydrophobicContact CD1-CD1 3.58Å; I131-L152 HydrophobicContact CB-CD1 4.38Å; I131-L152 HydrophobicContact CD1-CD1 3.8Å; I131-L152 HydrophobicContact CD1-CD2 4.24Å; I131-L152 HydrophobicContact CG1-CD1 3.78Å; I131-E154 PolarHBondContact N-O 3.15Å; I131-L155 HydrophobicContact CB-CD1 3.89Å; I131-L155 HydrophobicContact CG2-CD1 3.92Å; I131-L155 WeakPolarHBondContact O-CA 3.48Å; I131-S156 PolarHBondContact O-N 3.12Å
132	D	98.7	Very high	97.3	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.134	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.6	170.8	-168.8	-12.4	0	0	0	110.7	L107 Y108 A109 R110 T134	L107-D132 PolarHBondContact O-N 3.35Å; Y108-D132 HydrophobicContact CD1-CB 3.94Å; A109-D132 PolarHBondContact N-O 3.13Å; R110-D132 VanDerWaalsContact CD-OD2 3.32Å; R110-D132 WeakPolarHBondContact CD-OD2 3.41Å; R110-D132 HydrophobicContact CG-CB 4.36Å; R110-D132 IonicContact NE-OD2 3.1Å; D132-T134 WeakPolarHBondContact OD1-CB 3.39Å; D132-T134 PolarHBondContact OD1-N 3.26Å; D132-T134 PolarHBondContact OD1-OG1 3.08Å
133	L	98.5	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.			trans	-117	26.8	177.9	-63.4	168.3	0	0	0	111.5	A109 I114 I117 F122 I131 N136 I138 S156 L157 N160	A109-L133 HydrophobicContact CB-CD2 3.84Å; I114-L133 HydrophobicContact CD1-CD2 3.78Å; I117-L133 HydrophobicContact CD1-CD1 3.57Å; I117-L133 HydrophobicContact CG1-CD1 4.47Å; F122-L133 HydrophobicContact CZ-CD1 4.35Å; I131-L133 HydrophobicContact CG2-CD1 3.72Å; I131-L133 HydrophobicContact CG2-CG 3.69Å; L133-N136 PolarHBondContact O-ND2 2.83Å; L133-I138 HydrophobicContact CB-CD1 3.89Å; L133-I138 HydrophobicContact CD1-CD1 4.05Å; L133-I138 HydrophobicContact CG-CD1 4.48Å; L133-S156 PolarHBondContact N-O 2.72Å; L133-L157 HydrophobicContact CB-CD2 4.25Å; L133-L157 HydrophobicContact CD1-CD2 4.02Å; L133-N160 PolarHBondContact O-ND2 2.95Å
134	T	98.7	Very high	97.2	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.043	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	140.3	-178.2	-56.5	0	0	0	0	111.9	R110 F111 D132 S156 A158 E159	R110-T134 CarbonylContact C-O 3.58Å; R110-T134 VanDerWaalsContact CA-O 3.23Å; R110-T134 WeakPolarHBondContact CA-O 3.25Å; F111-T134 PolarHBondContact N-O 3.43Å; D132-T134 WeakPolarHBondContact OD1-CB 3.39Å; D132-T134 PolarHBondContact OD1-N 3.26Å; D132-T134 PolarHBondContact OD1-OG1 3.08Å; T134-S156 PolarHBondContact OG1-OG 3.45Å; T134-A158 VanDerWaalsContact CA-O 3.27Å; T134-A158 WeakPolarHBondContact CA-O 3.18Å; T134-A158 HydrophobicContact CG2-CB 3.96Å; T134-E159 HydrophobicContact CG2-CB 4.29Å; T134-E159 HydrophobicContact CG2-CG 4.39Å
135	G	98.3	Very high	97.5	Very high	18 Å²	18	33 Å²	33	19%	0.186	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	28.1	172	0	0	0	0	0	114.2	F111 A158 E159	F111-G135 WeakPolarHBondContact CA-O 3.17Å; G135-A158 PolarHBondContact N-O 3.19Å; G135-A158 VanDerWaalsContact N-O 3.08Å; G135-E159 CarbonylContact C-O 3.18Å; G135-E159 VanDerWaalsContact CA-O 3.27Å; G135-E159 WeakPolarHBondContact CA-O 3.37Å; G135-E159 PolarHBondContact N-O 3.46Å
136	N	98.5	Very high	97.7	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	18%	0.182	C	C	.	.	S	Bend	trans	-97.3	-167.4	173.4	-81.6	-84	0	0	0	110.9	A109 N112 K113 I114 L133 I138 E159 N160	A109-N136 PolarHBondContact O-ND2 3.39Å; N112-N136 WeakPolarHBondContact CA-OD1 3.36Å; N112-N136 VanDerWaalsContact CB-OD1 3.25Å; N112-N136 WeakPolarHBondContact CB-OD1 3.39Å; N112-N136 PolarHBondContact N-OD1 2.87Å; N112-N136 PolarHBondContact O-OD1 3.18Å; K113-N136 PolarHBondContact N-OD1 2.72Å; I114-N136 HydrophobicContact CB-CB 4.25Å; I114-N136 WeakPolarHBondContact CB-OD1 3.32Å; I114-N136 WeakPolarHBondContact CG1-OD1 3.4Å; I114-N136 PolarHBondContact N-OD1 3.13Å; L133-N136 PolarHBondContact O-ND2 2.83Å; N136-I138 HydrophobicContact CB-CD1 4.06Å; N136-I138 HydrophobicContact CB-CG1 3.92Å; N136-E159 PolarHBondContact N-O 3.08Å; N136-N160 WeakPolarHBondContact CA-OD1 3.25Å; N136-N160 WeakPolarHBondContact CB-OD1 3.36Å; N136-N160 PolarHBondContact O-OD1 2.92Å
137	V	98.4	Very high	97.6	Very high	35 Å²	35	33.5 Å²	33.5	21%	0.212	19%	0.19	C	C	.	.			trans	-119	33.7	176.4	-65.9	0	0	0	0	111.4	K113 I114 K115 S139 N160	K113-V137 HydrophobicContact CB-CG2 4.38Å; K113-V137 WeakPolarHBondContact O-CG2 3.27Å; I114-V137 CarbonylContact O-C 3.6Å; I114-V137 WeakPolarHBondContact O-CA 3.42Å; I114-V137 WeakPolarHBondContact O-CG2 3.26Å; I114-V137 PolarHBondContact O-N 2.84Å; I114-V137 VanDerWaalsContact O-N 3.09Å; K115-V137 HydrophobicContact CG-CG2 3.7Å; V137-S139 PolarHBondContact O-N 2.02Å; V137-N160 PolarHBondContact N-OD1 3.46Å
138	I	98.8	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.			trans	-68.4	118.8	-174.6	-56.4	165	0	0	0	108.5	I114 K115 I117 L133 N136 I141 L157 N160 R161 L162	I114-I138 HydrophobicContact CB-CD1 4.5Å; I114-I138 HydrophobicContact CB-CG1 4.14Å; I114-I138 HydrophobicContact CG2-CD1 4.29Å; I114-I138 HydrophobicContact CG2-CG1 3.98Å; I114-I138 WeakPolarHBondContact O-CA 3.23Å; I114-I138 VanDerWaalsContact O-CG1 3.25Å; I114-I138 WeakPolarHBondContact O-CG1 3.49Å; I114-I138 PolarHBondContact O-N 2.86Å; K115-I138 WeakPolarHBondContact O-CA 3.49Å; I117-I138 HydrophobicContact CD1-CD1 4.14Å; I117-I138 HydrophobicContact CD1-CG2 4.48Å; I117-I138 HydrophobicContact CG1-CD1 4.32Å; I117-I138 HydrophobicContact CG1-CG2 4.25Å; L133-I138 HydrophobicContact CB-CD1 3.89Å; L133-I138 HydrophobicContact CD1-CD1 4.05Å; L133-I138 HydrophobicContact CG-CD1 4.48Å; N136-I138 HydrophobicContact CB-CD1 4.06Å; N136-I138 HydrophobicContact CB-CG1 3.92Å; I138-I141 HydrophobicContact CG2-CD1 4.32Å; I138-I141 HydrophobicContact CG2-CG1 3.9Å; I138-L157 HydrophobicContact CD1-CD2 4.42Å; I138-N160 HydrophobicContact CB-CB 4.33Å; I138-N160 VanDerWaalsContact CB-OD1 3.23Å; I138-N160 WeakPolarHBondContact CB-OD1 3.5Å; I138-N160 VanDerWaalsContact CG1-OD1 3.26Å; I138-N160 WeakPolarHBondContact CG1-OD1 3.01Å; I138-N160 PolarHBondContact N-OD1 2.99Å; I138-R161 CarbonylContact O-C 3.56Å; I138-R161 VanDerWaalsContact O-C 3.25Å; I138-R161 WeakPolarHBondContact O-CA 3.35Å; I138-R161 PolarHBondContact O-N 2.88Å; I138-L162 HydrophobicContact CG2-CD2 3.94Å; I138-L162 PolarHBondContact O-N 3.41Å
139	S	98.1	Very high	97.5	Very high	60 Å²	60	36.2 Å²	36.2	42%	0.42	20%	0.197	S	C	.	.			trans	-116	-19.4	179	55.9	0	0	0	0	112.7	K115 V137	K115-S139 PolarHBondContact O-N 3.32Å; V137-S139 PolarHBondContact O-N 2.02Å
140	E	97.6	Very high	97.4	Very high	81 Å²	81	36.7 Å²	36.7	38%	0.379	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135	-178.2	-167.5	-176.7	165.3	0	0	110.9	K116 I117	K116-E140 VanDerWaalsContact CA-O 3.28Å; K116-E140 WeakPolarHBondContact CA-O 3.12Å; K116-E140 HydrophobicContact CD-CB 4.3Å; K116-E140 HydrophobicContact CD-CG 4.29Å; K116-E140 HydrophobicContact CG-CB 4.19Å; K116-E140 VanDerWaalsContact NZ-CD 3.27Å; K116-E140 IonicContact NZ-OE1 2.75Å; K116-E140 PolarHBondContact NZ-OE1 2.86Å; K116-E140 IonicContact NZ-OE2 3.68Å; I117-E140 PolarHBondContact N-O 2.73Å
141	I	98.3	Very high	97.3	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.5	170.5	-57.9	176.3	0	0	0	106.4	I117 I138 A145 F146 L157 L162 P166	I117-I141 HydrophobicContact CB-CB 4.46Å; I117-I141 HydrophobicContact CB-CG1 4.15Å; I117-I141 HydrophobicContact CB-CG2 4.12Å; I117-I141 HydrophobicContact CD1-CD1 4Å; I117-I141 HydrophobicContact CD1-CG1 4.05Å; I117-I141 HydrophobicContact CG1-CG1 4.27Å; I117-I141 HydrophobicContact CG2-CG2 4.41Å; I138-I141 HydrophobicContact CG2-CD1 4.32Å; I138-I141 HydrophobicContact CG2-CG1 3.9Å; I141-A145 HydrophobicContact CG2-CB 3.72Å; I141-F146 HydrophobicContact CD1-CE2 4.22Å; I141-F146 HydrophobicContact CD1-CZ 4.41Å; I141-F146 HydrophobicContact CG2-CE2 3.94Å; I141-F146 HydrophobicContact CG2-CZ 4.38Å; I141-L157 HydrophobicContact CD1-CD1 3.75Å; I141-L157 HydrophobicContact CD1-CD2 4.32Å; I141-L162 HydrophobicContact CD1-CD1 4.22Å; I141-L162 HydrophobicContact CD1-CD2 3.76Å; I141-L162 HydrophobicContact CG1-CD2 3.94Å; I141-P166 HydrophobicContact CB-CB 4.15Å; I141-P166 HydrophobicContact CB-CG 4.22Å; I141-P166 HydrophobicContact CD1-CG 3.96Å; I141-P166 HydrophobicContact CG2-CB 3.71Å; I141-P166 HydrophobicContact CG2-CG 3.88Å
142	D	97.6	Very high	97.3	Very high	45 Å²	45	35.9 Å²	35.9	24%	0.241	21%	0.208	C	C	.	.			trans	-65.6	147.2	178.7	-76.1	-13.6	0	0	0	111.4	K116 I117 G118 K119 G144 A145	K116-D142 WeakPolarHBondContact CE-OD1 3.38Å; K116-D142 IonicContact NZ-OD1 2.76Å; K116-D142 PolarHBondContact NZ-OD1 3.09Å; K116-D142 IonicContact NZ-OD2 3.56Å; I117-D142 PolarHBondContact O-N 2.82Å; G118-D142 WeakPolarHBondContact CA-OD2 3.15Å; K119-D142 HydrophobicContact CB-CB 4.17Å; K119-D142 PolarHBondContact N-OD2 3.16Å; K119-D142 VanDerWaalsContact N-OD2 3.16Å; D142-G144 PolarHBondContact O-N 3.09Å; D142-A145 WeakPolarHBondContact O-CB 2.98Å; D142-A145 PolarHBondContact O-N 2.98Å; D142-A145 VanDerWaalsContact O-N 3.1Å
143	D	93.4	Very high	97.3	Very high	110 Å²	110	38.6 Å²	38.6	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	122.4	174.7	-78.4	-25.2	0	0	0	110.3
144	G	94.4	Very high	97.3	Very high	15 Å²	15	41.5 Å²	41.5	16%	0.155	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	9.7	-179.1	0	0	0	0	0	115.2	D142 F146 S147	D142-G144 PolarHBondContact O-N 3.09Å; G144-F146 PolarHBondContact O-N 2.97Å; G144-F146 VanDerWaalsContact O-N 3.14Å; G144-S147 VanDerWaalsContact O-CB 3.25Å; G144-S147 WeakPolarHBondContact O-CB 3.42Å; G144-S147 PolarHBondContact O-N 3.05Å; G144-S147 PolarHBondContact O-OG 2.93Å
145	A	97.6	Very high	97.3	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.2	173.7	0	0	0	0	0	114	I117 I141 D142	I117-A145 HydrophobicContact CG2-CB 3.88Å; I141-A145 HydrophobicContact CG2-CB 3.72Å; D142-A145 WeakPolarHBondContact O-CB 2.98Å; D142-A145 PolarHBondContact O-N 2.98Å; D142-A145 VanDerWaalsContact O-N 3.1Å
146	F	97.3	Very high	97.4	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6.1	177.6	-52.8	-59.6	0	0	0	113.7	I117 F122 I131 I141 G144 K148 L149 L155 P166 P169	I117-F146 HydrophobicContact CD1-CE1 4.31Å; I117-F146 HydrophobicContact CD1-CZ 3.76Å; F122-F146 AromaticContact CD2-CD1 3.97Å; F122-F146 HydrophobicContact CD2-CD1 3.97Å; F122-F146 AromaticContact CD2-CE1 3.82Å; F122-F146 HydrophobicContact CD2-CE1 3.82Å; F122-F146 HydrophobicContact CE2-CD1 4.21Å; F122-F146 AromaticContact CE2-CE1 3.58Å; F122-F146 HydrophobicContact CE2-CE1 3.58Å; I131-F146 HydrophobicContact CD1-CE1 4.41Å; I141-F146 HydrophobicContact CD1-CE2 4.22Å; I141-F146 HydrophobicContact CD1-CZ 4.41Å; I141-F146 HydrophobicContact CG2-CE2 3.94Å; I141-F146 HydrophobicContact CG2-CZ 4.38Å; G144-F146 PolarHBondContact O-N 2.97Å; G144-F146 VanDerWaalsContact O-N 3.14Å; F146-K148 VanDerWaalsContact C-N 3.28Å; F146-K148 PolarHBondContact O-N 2.82Å; F146-L149 HydrophobicContact CB-CD1 4.38Å; F146-L149 HydrophobicContact CD1-CD1 3.87Å; F146-L149 WeakPolarHBondContact O-CB 3.29Å; F146-L149 PolarHBondContact O-N 2.83Å; F146-L149 VanDerWaalsContact O-N 3.07Å; F146-L155 HydrophobicContact CD2-CD2 4.29Å; F146-L155 HydrophobicContact CE1-CD1 4.42Å; F146-L155 HydrophobicContact CE2-CD2 4Å; F146-L155 HydrophobicContact CZ-CD1 4.3Å; F146-L155 HydrophobicContact CZ-CD2 4.18Å; F146-P166 HydrophobicContact CD2-CB 4.47Å; F146-P166 HydrophobicContact CD2-CG 4.02Å; F146-P166 HydrophobicContact CE2-CB 4.49Å; F146-P166 HydrophobicContact CE2-CG 3.74Å; F146-P169 HydrophobicContact CB-CG 3.7Å
147	S	94.4	Very high	97.4	Very high	82 Å²	82	40.9 Å²	40.9	57%	0.573	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.2	-168.9	59.6	0	0	0	0	114.5	G144	G144-S147 VanDerWaalsContact O-CB 3.25Å; G144-S147 WeakPolarHBondContact O-CB 3.42Å; G144-S147 PolarHBondContact O-N 3.05Å; G144-S147 PolarHBondContact O-OG 2.93Å
148	K	95.8	Very high	97.4	Very high	106 Å²	106	39.4 Å²	39.4	46%	0.461	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.7	178.6	-63.8	-173.5	-176.4	-178.9	0	113.7	G123 V126 F146 T150	G123-K148 WeakPolarHBondContact O-CD 3.39Å; G123-K148 PolarHBondContact O-NZ 3.31Å; V126-K148 HydrophobicContact CG1-CB 4.25Å; F146-K148 VanDerWaalsContact C-N 3.28Å; F146-K148 PolarHBondContact O-N 2.82Å; K148-T150 PolarHBondContact O-N 3.32Å
149	L	97.3	Very high	97.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.241	C	C	.	.			trans	-82.8	65	-174.1	-54.6	-173	0	0	0	111.3	F122 T125 L128 I131 F146 L151 L152 P169	F122-L149 HydrophobicContact CB-CD1 3.91Å; F122-L149 HydrophobicContact CB-CD2 3.96Å; F122-L149 HydrophobicContact CB-CG 4.22Å; F122-L149 HydrophobicContact CD2-CD1 4.48Å; F122-L149 HydrophobicContact CG-CD1 4.18Å; T125-L149 VanDerWaalsContact O-CD2 3.3Å; T125-L149 WeakPolarHBondContact O-CD2 3.44Å; L128-L149 HydrophobicContact CB-CD2 4.28Å; L128-L149 HydrophobicContact CD1-CD1 4.39Å; L128-L149 HydrophobicContact CD1-CD2 4.2Å; I131-L149 HydrophobicContact CD1-CD1 3.58Å; F146-L149 HydrophobicContact CB-CD1 4.38Å; F146-L149 HydrophobicContact CD1-CD1 3.87Å; F146-L149 WeakPolarHBondContact O-CB 3.29Å; F146-L149 PolarHBondContact O-N 2.83Å; F146-L149 VanDerWaalsContact O-N 3.07Å; L149-L151 PolarHBondContact O-N 3.22Å; L149-L152 HydrophobicContact CB-CB 3.93Å; L149-L152 HydrophobicContact CD1-CD2 4.17Å; L149-L152 WeakPolarHBondContact O-CB 3.32Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-P169 HydrophobicContact CB-CG 4.47Å; L149-P169 WeakPolarHBondContact O-CB 3.35Å
150	T	95.8	Very high	97.4	Very high	88 Å²	88	41.9 Å²	41.9	54%	0.54	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.5	-174.6	62.3	0	0	0	0	113.9	K148 K171	K148-T150 PolarHBondContact O-N 3.32Å; T150-K171 WeakPolarHBondContact O-CD 3.35Å; T150-K171 WeakPolarHBondContact O-CE 3.25Å; T150-K171 WeakPolarHBondContact O-CG 3.3Å
151	L	97.8	Very high	97.5	Very high	63 Å²	63	45.1 Å²	45.1	33%	0.33	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	2.7	177.2	-58.4	-177.2	0	0	0	113.1	L128 L149 E153	L128-L151 CarbonylContact O-C 3.32Å; L128-L151 VanDerWaalsContact O-C 3.31Å; L149-L151 PolarHBondContact O-N 3.22Å; L151-E153 PolarHBondContact O-N 3.24Å
152	L	98.6	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.			trans	-69.7	118.6	-178	-164.8	72.9	0	0	0	110.5	L128 I131 L149 L155 P169 K171 L172	L128-L152 HydrophobicContact CB-CD1 4.38Å; L128-L152 WeakPolarHBondContact O-CA 3.35Å; L128-L152 PolarHBondContact O-N 3.05Å; I131-L152 HydrophobicContact CB-CD1 4.38Å; I131-L152 HydrophobicContact CD1-CD1 3.8Å; I131-L152 HydrophobicContact CD1-CD2 4.24Å; I131-L152 HydrophobicContact CG1-CD1 3.78Å; L149-L152 HydrophobicContact CB-CB 3.93Å; L149-L152 HydrophobicContact CD1-CD2 4.17Å; L149-L152 WeakPolarHBondContact O-CB 3.32Å; L149-L152 PolarHBondContact O-N 3.23Å; L152-L155 HydrophobicContact CD2-CB 4.1Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å; L152-P169 HydrophobicContact CB-CB 4.33Å; L152-P169 HydrophobicContact CB-CG 4.28Å; L152-P169 HydrophobicContact CD2-CG 3.93Å; L152-K171 CarbonylContact O-C 3.56Å; L152-L172 HydrophobicContact CB-CD2 4.48Å; L152-L172 HydrophobicContact CD2-CD2 4.03Å; L152-L172 HydrophobicContact CG-CD2 3.95Å; L152-L172 PolarHBondContact O-N 3.2Å
153	E	98.7	Very high	97.6	Very high	82 Å²	82	46.6 Å²	46.6	38%	0.383	24%	0.243	S	C	.	.			trans	-102.4	-35.1	-179.8	-70	169.6	-167.8	0	0	110.6	K129 L151 L172 T173 S174	K129-E153 PolarHBondContact O-N 2.83Å; L151-E153 PolarHBondContact O-N 3.24Å; E153-L172 CarbonylContact O-C 3.03Å; E153-L172 WeakPolarHBondContact O-CA 3.32Å; E153-L172 WeakPolarHBondContact O-CD2 3.41Å; E153-T173 PolarHBondContact O-N 2.88Å; E153-T173 PolarHBondContact O-OG1 3.06Å; E153-T173 VanDerWaalsContact O-OG1 3.11Å; E153-S174 PolarHBondContact O-N 3.19Å; E153-S174 VanDerWaalsContact O-N 3.12Å
154	E	98.9	Very high	97.8	Very high	61 Å²	61	46 Å²	46	29%	0.285	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129	-175	-61.6	-174.2	-153.8	0	0	112.5	K129 R130 I131 S174	K129-E154 PolarHBondContact O-N 3.39Å; R130-E154 WeakPolarHBondContact CA-O 3.44Å; R130-E154 HydrophobicContact CB-CB 4.31Å; R130-E154 HydrophobicContact CG-CB 3.97Å; R130-E154 IonicContact CZ-OE1 2.86Å; R130-E154 IonicContact CZ-OE2 3.69Å; R130-E154 IonicContact NE-OE1 2.78Å; R130-E154 IonicContact NE-OE2 3.9Å; R130-E154 PolarHBondContact NE-OE2 2.94Å; R130-E154 IonicContact NH2-OE1 2.71Å; R130-E154 PolarHBondContact NH2-OE1 3.02Å; R130-E154 IonicContact NH2-OE2 3.65Å; R130-E154 PolarHBondContact NH2-OE2 2.79Å; I131-E154 PolarHBondContact N-O 3.15Å; E154-S174 WeakPolarHBondContact CA-O 3.41Å
155	L	98.8	Very high	97.9	Very high	3 Å²	3	46 Å²	46	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.9	177.6	176.4	61.2	0	0	0	110.4	I131 F146 L152 L157 L168 L172 S174 F175 N176	I131-L155 HydrophobicContact CB-CD1 3.89Å; I131-L155 HydrophobicContact CG2-CD1 3.92Å; I131-L155 WeakPolarHBondContact O-CA 3.48Å; F146-L155 HydrophobicContact CD2-CD2 4.29Å; F146-L155 HydrophobicContact CE1-CD1 4.42Å; F146-L155 HydrophobicContact CE2-CD2 4Å; F146-L155 HydrophobicContact CZ-CD1 4.3Å; F146-L155 HydrophobicContact CZ-CD2 4.18Å; L152-L155 HydrophobicContact CD2-CB 4.1Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å; L155-L157 HydrophobicContact CD1-CD2 4.24Å; L155-L157 HydrophobicContact CD1-CG 4.11Å; L155-L157 HydrophobicContact CD2-CD1 4.16Å; L155-L157 HydrophobicContact CD2-CG 4.49Å; L155-L157 HydrophobicContact CG-CD1 4.35Å; L155-L157 HydrophobicContact CG-CG 4.14Å; L155-L168 HydrophobicContact CD2-CD2 3.98Å; L155-L172 HydrophobicContact CB-CD1 4.47Å; L155-L172 HydrophobicContact CB-CD2 3.88Å; L155-S174 PolarHBondContact N-O 2.88Å; L155-S174 VanDerWaalsContact N-O 3.11Å; L155-F175 HydrophobicContact CB-CD2 4.14Å; L155-F175 HydrophobicContact CD2-CD2 4.09Å; L155-F175 HydrophobicContact CD2-CE2 3.9Å; L155-F175 HydrophobicContact CG-CD2 4.12Å; L155-F175 HydrophobicContact CG-CE2 4.12Å; L155-N176 PolarHBondContact O-N 3.16Å
156	S	98.8	Very high	97.8	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.7	169.6	-168.8	0	0	0	0	111	I131 L133 T134	I131-S156 PolarHBondContact O-N 3.12Å; L133-S156 PolarHBondContact N-O 2.72Å; T134-S156 PolarHBondContact OG1-OG 3.45Å
157	L	98.8	Very high	97.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.			trans	-118.7	23	170.3	-62.9	172.3	0	0	0	110.1	I117 L133 I138 I141 L155 N160 L162 F175 N176 N180	I117-L157 HydrophobicContact CD1-CD2 4.24Å; L133-L157 HydrophobicContact CB-CD2 4.25Å; L133-L157 HydrophobicContact CD1-CD2 4.02Å; I138-L157 HydrophobicContact CD1-CD2 4.42Å; I141-L157 HydrophobicContact CD1-CD1 3.75Å; I141-L157 HydrophobicContact CD1-CD2 4.32Å; L155-L157 HydrophobicContact CD1-CD2 4.24Å; L155-L157 HydrophobicContact CD1-CG 4.11Å; L155-L157 HydrophobicContact CD2-CD1 4.16Å; L155-L157 HydrophobicContact CD2-CG 4.49Å; L155-L157 HydrophobicContact CG-CD1 4.35Å; L155-L157 HydrophobicContact CG-CG 4.14Å; L157-N160 PolarHBondContact O-ND2 3.46Å; L157-N160 VanDerWaalsContact O-ND2 3.16Å; L157-L162 HydrophobicContact CB-CD1 3.88Å; L157-L162 HydrophobicContact CD1-CD1 3.87Å; L157-L162 HydrophobicContact CG-CD1 4.41Å; L157-F175 HydrophobicContact CD1-CE2 4.07Å; L157-F175 HydrophobicContact CD1-CZ 4.45Å; L157-N176 CarbonylContact C-O 3.46Å; L157-N176 PolarHBondContact N-O 3Å; L157-N180 PolarHBondContact O-ND2 2.82Å
158	A	98.9	Very high	97.8	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.033	24%	0.237	C	C	.	.			trans	-61.3	153.5	-178.7	0	0	0	0	0	111.8	T134 G135 N160 N176 N178	T134-A158 VanDerWaalsContact CA-O 3.27Å; T134-A158 WeakPolarHBondContact CA-O 3.18Å; T134-A158 HydrophobicContact CG2-CB 3.96Å; G135-A158 PolarHBondContact N-O 3.19Å; G135-A158 VanDerWaalsContact N-O 3.08Å; A158-N160 PolarHBondContact O-N 3.37Å; A158-N160 PolarHBondContact O-ND2 3.34Å; A158-N176 PolarHBondContact N-O 2.81Å; A158-N178 CarbonylContact C-O 3.52Å; A158-N178 VanDerWaalsContact CA-O 3.25Å; A158-N178 WeakPolarHBondContact CA-O 3.35Å; A158-N178 HydrophobicContact CB-CB 4.38Å
159	E	98.8	Very high	97.8	Very high	101 Å²	101	42 Å²	42	47%	0.472	22%	0.218	S	C	.	.	S	Bend	trans	55	53.3	174.7	-59.2	176.2	-119.4	0	0	112.2	T134 G135 N136 N178 S179	T134-E159 HydrophobicContact CG2-CB 4.29Å; T134-E159 HydrophobicContact CG2-CG 4.39Å; G135-E159 CarbonylContact C-O 3.18Å; G135-E159 VanDerWaalsContact CA-O 3.27Å; G135-E159 WeakPolarHBondContact CA-O 3.37Å; G135-E159 PolarHBondContact N-O 3.46Å; N136-E159 PolarHBondContact N-O 3.08Å; E159-N178 PolarHBondContact N-O 2.92Å; E159-S179 VanDerWaalsContact CA-O 3.29Å; E159-S179 WeakPolarHBondContact CA-O 3.23Å; E159-S179 PolarHBondContact N-O 2.95Å
160	N	98.9	Very high	97.8	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.059	24%	0.24	C	C	.	.	S	Bend	trans	-127.3	-164.5	177.9	-86	-79.7	0	0	0	109.8	L133 N136 V137 I138 L157 A158 L162 S179 N180	L133-N160 PolarHBondContact O-ND2 2.95Å; N136-N160 WeakPolarHBondContact CA-OD1 3.25Å; N136-N160 WeakPolarHBondContact CB-OD1 3.36Å; N136-N160 PolarHBondContact O-OD1 2.92Å; V137-N160 PolarHBondContact N-OD1 3.46Å; I138-N160 HydrophobicContact CB-CB 4.33Å; I138-N160 VanDerWaalsContact CB-OD1 3.23Å; I138-N160 WeakPolarHBondContact CB-OD1 3.5Å; I138-N160 VanDerWaalsContact CG1-OD1 3.26Å; I138-N160 WeakPolarHBondContact CG1-OD1 3.01Å; I138-N160 PolarHBondContact N-OD1 2.99Å; L157-N160 PolarHBondContact O-ND2 3.46Å; L157-N160 VanDerWaalsContact O-ND2 3.16Å; A158-N160 PolarHBondContact O-N 3.37Å; A158-N160 PolarHBondContact O-ND2 3.34Å; N160-L162 HydrophobicContact CB-CG 4.44Å; N160-S179 PolarHBondContact N-O 3.25Å; N160-N180 WeakPolarHBondContact CA-OD1 3.11Å; N160-N180 WeakPolarHBondContact CB-OD1 3.21Å; N160-N180 PolarHBondContact O-OD1 2.98Å
161	R	98.7	Very high	97.8	Very high	149 Å²	149	45.8 Å²	45.8	56%	0.562	24%	0.238	S	C	*	.			trans	-121.2	30.7	-177.3	-60.8	-177.6	-176.9	-107.9	-0.8	112	I138 V163 N180 L181	I138-R161 CarbonylContact O-C 3.56Å; I138-R161 VanDerWaalsContact O-C 3.25Å; I138-R161 WeakPolarHBondContact O-CA 3.35Å; I138-R161 PolarHBondContact O-N 2.88Å; R161-V163 PolarHBondContact O-N 3.34Å; R161-N180 PolarHBondContact N-OD1 3.36Å; R161-L181 HydrophobicContact CB-CD1 4.37Å
162	L	98.7	Very high	97.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.222	C	C	.	.			trans	-69.5	128.8	-176.4	-63.6	172.5	0	0	0	110.9	I138 I141 L157 N160 N180 L181 L182	I138-L162 HydrophobicContact CG2-CD2 3.94Å; I138-L162 PolarHBondContact O-N 3.41Å; I141-L162 HydrophobicContact CD1-CD1 4.22Å; I141-L162 HydrophobicContact CD1-CD2 3.76Å; I141-L162 HydrophobicContact CG1-CD2 3.94Å; L157-L162 HydrophobicContact CB-CD1 3.88Å; L157-L162 HydrophobicContact CD1-CD1 3.87Å; L157-L162 HydrophobicContact CG-CD1 4.41Å; N160-L162 HydrophobicContact CB-CG 4.44Å; L162-N180 HydrophobicContact CB-CB 4.32Å; L162-N180 VanDerWaalsContact CB-OD1 3.27Å; L162-N180 WeakPolarHBondContact CB-OD1 3.44Å; L162-N180 WeakPolarHBondContact CG-OD1 3.44Å; L162-N180 PolarHBondContact N-OD1 3.29Å; L162-L181 CarbonylContact O-C 3.08Å; L162-L181 VanDerWaalsContact O-CA 3.32Å; L162-L181 WeakPolarHBondContact O-CA 3.27Å; L162-L181 PolarHBondContact O-N 2.86Å; L162-L182 HydrophobicContact CB-CD2 4.09Å; L162-L182 PolarHBondContact O-N 3.17Å
163	V	98.4	Very high	97.9	Very high	80 Å²	80	45 Å²	45	49%	0.485	24%	0.235	S	C	.	.	S	Bend	trans	-103.1	-16.4	172.1	-63.9	0	0	0	0	112.6	R161 L181 G186	R161-V163 PolarHBondContact O-N 3.34Å; V163-L181 HydrophobicContact CG1-CB 4.06Å; V163-G186 WeakPolarHBondContact O-CA 3.41Å
164	K	98	Very high	97.9	Very high	98 Å²	98	42 Å²	42	43%	0.426	22%	0.224	S	C	.	.	S	Bend	trans	-141.3	147.2	178.4	63.7	177.4	-178.1	173.7	0	110.7	G186	K164-G186 CarbonylContact C-O 3.25Å; K164-G186 VanDerWaalsContact CA-O 3.32Å; K164-G186 WeakPolarHBondContact CA-O 3.43Å
165	L	97.3	Very high	97.9	Very high	13 Å²	13	39 Å²	39	7%	0.068	21%	0.21	C	C	.	.			trans	-89.5	140.1	173	-69.7	-176.2	0	0	0	111.6	F175 A177 L182 G186 V187 F192	L165-F175 HydrophobicContact CD1-CE1 4.06Å; L165-F175 HydrophobicContact CD2-CE1 4.12Å; L165-F175 HydrophobicContact CD2-CZ 3.81Å; L165-A177 HydrophobicContact CD2-CB 4.34Å; L165-L182 HydrophobicContact CD1-CD1 4.41Å; L165-L182 HydrophobicContact CD2-CD1 3.75Å; L165-L182 HydrophobicContact CD2-CD2 3.93Å; L165-L182 HydrophobicContact CG-CD1 4.04Å; L165-L182 HydrophobicContact CG-CD2 3.97Å; L165-G186 PolarHBondContact N-O 3.27Å; L165-V187 HydrophobicContact CD1-CG1 4.2Å; L165-V187 HydrophobicContact CD1-CG2 3.94Å; L165-V187 HydrophobicContact CG-CG2 4.19Å; L165-F192 HydrophobicContact CD1-CE1 4.04Å; L165-F192 HydrophobicContact CD1-CZ 3.62Å
166	P	95.1	Very high	97.9	Very high	11 Å²	11	40.6 Å²	40.6	7%	0.071	22%	0.218	C	C	.	.			trans	-76.4	175.8	170.8	33.9	-34.4	0	0	0	111.1	I141 F146 L168	I141-P166 HydrophobicContact CB-CB 4.15Å; I141-P166 HydrophobicContact CB-CG 4.22Å; I141-P166 HydrophobicContact CD1-CG 3.96Å; I141-P166 HydrophobicContact CG2-CB 3.71Å; I141-P166 HydrophobicContact CG2-CG 3.88Å; F146-P166 HydrophobicContact CD2-CB 4.47Å; F146-P166 HydrophobicContact CD2-CG 4.02Å; F146-P166 HydrophobicContact CE2-CB 4.49Å; F146-P166 HydrophobicContact CE2-CG 3.74Å; P166-L168 PolarHBondContact O-N 3.42Å
167	A	95.6	Very high	97.9	Very high	64 Å²	64	39.8 Å²	39.8	53%	0.529	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-67.8	124.8	166.8	0	0	0	0	0	110.1
168	L	97	Very high	97.9	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.12	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-93.2	143.3	-176.1	-65	174.5	0	0	0	111.9	L155 P166 L172 F175 F192 L195	L155-L168 HydrophobicContact CD2-CD2 3.98Å; P166-L168 PolarHBondContact O-N 3.42Å; L168-L172 HydrophobicContact CB-CD1 4Å; L168-L172 HydrophobicContact CD2-CD1 4.22Å; L168-L172 HydrophobicContact CG-CD1 4.5Å; L168-F175 HydrophobicContact CD1-CD1 3.9Å; L168-F175 HydrophobicContact CD1-CD2 4.4Å; L168-F175 HydrophobicContact CD1-CE1 3.89Å; L168-F175 HydrophobicContact CD1-CE2 4.4Å; L168-F175 HydrophobicContact CD1-CG 4.17Å; L168-F175 HydrophobicContact CD1-CZ 4.15Å; L168-F175 HydrophobicContact CD2-CD2 4.09Å; L168-F175 HydrophobicContact CD2-CE2 3.73Å; L168-F175 HydrophobicContact CD2-CZ 3.98Å; L168-F192 HydrophobicContact CD1-CD1 3.87Å; L168-F192 HydrophobicContact CD1-CE1 3.66Å; L168-L195 HydrophobicContact CB-CD1 4.15Å; L168-L195 HydrophobicContact CB-CD2 4.14Å; L168-L195 HydrophobicContact CD1-CD1 3.91Å
169	P	96.1	Very high	97.9	Very high	12 Å²	12	43.3 Å²	43.3	8%	0.078	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-64.3	139.1	175.5	-24.2	36.2	0	0	0	113.1	F146 L149 L152 K171 L172 L195	F146-P169 HydrophobicContact CB-CG 3.7Å; L149-P169 HydrophobicContact CB-CG 4.47Å; L149-P169 WeakPolarHBondContact O-CB 3.35Å; L152-P169 HydrophobicContact CB-CB 4.33Å; L152-P169 HydrophobicContact CB-CG 4.28Å; L152-P169 HydrophobicContact CD2-CG 3.93Å; P169-K171 VanDerWaalsContact C-N 3.28Å; P169-K171 PolarHBondContact O-N 3.36Å; P169-L172 WeakPolarHBondContact O-CG 3.31Å; P169-L172 PolarHBondContact O-N 3.22Å; P169-L195 WeakPolarHBondContact O-CD2 3.49Å
170	A	95.8	Very high	97.9	Very high	56 Å²	56	38.8 Å²	38.8	46%	0.463	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.1	-172	0	0	0	0	0	115.2	L172	A170-L172 VanDerWaalsContact C-N 3.34Å
171	K	97.3	Very high	97.9	Very high	112 Å²	112	41.8 Å²	41.8	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.9	-178.4	-71.6	-151.7	-170.2	174.7	0	114.6	T150 L152 P169 T173	T150-K171 WeakPolarHBondContact O-CD 3.35Å; T150-K171 WeakPolarHBondContact O-CE 3.25Å; T150-K171 WeakPolarHBondContact O-CG 3.3Å; L152-K171 CarbonylContact O-C 3.56Å; P169-K171 VanDerWaalsContact C-N 3.28Å; P169-K171 PolarHBondContact O-N 3.36Å; K171-T173 PolarHBondContact O-N 3.23Å
172	L	98.5	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.			trans	-56.2	129.8	179.4	-76.6	177.9	0	0	0	111.2	L152 E153 L155 L168 P169 A170 F175 S197 L198	L152-L172 HydrophobicContact CB-CD2 4.48Å; L152-L172 HydrophobicContact CD2-CD2 4.03Å; L152-L172 HydrophobicContact CG-CD2 3.95Å; L152-L172 PolarHBondContact O-N 3.2Å; E153-L172 CarbonylContact O-C 3.03Å; E153-L172 WeakPolarHBondContact O-CA 3.32Å; E153-L172 WeakPolarHBondContact O-CD2 3.41Å; L155-L172 HydrophobicContact CB-CD1 4.47Å; L155-L172 HydrophobicContact CB-CD2 3.88Å; L168-L172 HydrophobicContact CB-CD1 4Å; L168-L172 HydrophobicContact CD2-CD1 4.22Å; L168-L172 HydrophobicContact CG-CD1 4.5Å; P169-L172 WeakPolarHBondContact O-CG 3.31Å; P169-L172 PolarHBondContact O-N 3.22Å; A170-L172 VanDerWaalsContact C-N 3.34Å; L172-F175 HydrophobicContact CD1-CB 4.42Å; L172-F175 HydrophobicContact CD1-CD2 4.45Å; L172-S197 CarbonylContact O-C 3.6Å; L172-L198 HydrophobicContact CB-CD1 4.11Å; L172-L198 VanDerWaalsContact O-CA 3.22Å; L172-L198 WeakPolarHBondContact O-CA 3.25Å; L172-L198 PolarHBondContact O-N 3.22Å
173	T	98.8	Very high	97.9	Very high	46 Å²	46	39.4 Å²	39.4	28%	0.282	22%	0.223	S	C	.	.	S	Bend	trans	-102.8	-27.7	171.5	63.2	0	0	0	0	110.9	E153 K171 S197 A199 N200	E153-T173 PolarHBondContact O-N 2.88Å; E153-T173 PolarHBondContact O-OG1 3.06Å; E153-T173 VanDerWaalsContact O-OG1 3.11Å; K171-T173 PolarHBondContact O-N 3.23Å; T173-S197 WeakPolarHBondContact CA-O 3.27Å; T173-A199 PolarHBondContact O-N 3.44Å; T173-N200 PolarHBondContact O-N 3.07Å
174	S	98.9	Very high	97.8	Very high	19 Å²	19	37.8 Å²	37.8	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127	176.5	-167.2	0	0	0	0	111.3	E153 E154 L155	E153-S174 PolarHBondContact O-N 3.19Å; E153-S174 VanDerWaalsContact O-N 3.12Å; E154-S174 WeakPolarHBondContact CA-O 3.41Å; L155-S174 PolarHBondContact N-O 2.88Å; L155-S174 VanDerWaalsContact N-O 3.11Å
175	F	98.9	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.2	172.7	179.9	-120.5	0	0	0	110.5	L155 L157 L165 L168 L172 A177 F192 L198 N200 L201 Y202 L203	L155-F175 HydrophobicContact CB-CD2 4.14Å; L155-F175 HydrophobicContact CD2-CD2 4.09Å; L155-F175 HydrophobicContact CD2-CE2 3.9Å; L155-F175 HydrophobicContact CG-CD2 4.12Å; L155-F175 HydrophobicContact CG-CE2 4.12Å; L157-F175 HydrophobicContact CD1-CE2 4.07Å; L157-F175 HydrophobicContact CD1-CZ 4.45Å; L165-F175 HydrophobicContact CD1-CE1 4.06Å; L165-F175 HydrophobicContact CD2-CE1 4.12Å; L165-F175 HydrophobicContact CD2-CZ 3.81Å; L168-F175 HydrophobicContact CD1-CD1 3.9Å; L168-F175 HydrophobicContact CD1-CD2 4.4Å; L168-F175 HydrophobicContact CD1-CE1 3.89Å; L168-F175 HydrophobicContact CD1-CE2 4.4Å; L168-F175 HydrophobicContact CD1-CG 4.17Å; L168-F175 HydrophobicContact CD1-CZ 4.15Å; L168-F175 HydrophobicContact CD2-CD2 4.09Å; L168-F175 HydrophobicContact CD2-CE2 3.73Å; L168-F175 HydrophobicContact CD2-CZ 3.98Å; L172-F175 HydrophobicContact CD1-CB 4.42Å; L172-F175 HydrophobicContact CD1-CD2 4.45Å; F175-A177 HydrophobicContact CE1-CB 3.83Å; F175-A177 HydrophobicContact CE2-CB 4.46Å; F175-A177 HydrophobicContact CZ-CB 3.66Å; F175-F192 AromaticContact CD1-CE1 3.98Å; F175-F192 HydrophobicContact CD1-CE1 3.98Å; F175-F192 HydrophobicContact CE1-CE1 4.08Å; F175-L198 HydrophobicContact CB-CD1 3.98Å; F175-N200 PolarHBondContact N-O 2.93Å; F175-L201 HydrophobicContact CB-CD1 4.42Å; F175-L201 HydrophobicContact CD1-CD1 3.72Å; F175-Y202 PolarHBondContact O-N 2.99Å; F175-L203 HydrophobicContact CE1-CD2 4.4Å
176	N	98.9	Very high	97.6	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.1	178.2	-172.9	-3.3	0	0	0	110.9	L155 L157 A158 N178 Y202	L155-N176 PolarHBondContact O-N 3.16Å; L157-N176 CarbonylContact C-O 3.46Å; L157-N176 PolarHBondContact N-O 3Å; A158-N176 PolarHBondContact N-O 2.81Å; N176-N178 VanDerWaalsContact OD1-CB 3.31Å; N176-N178 WeakPolarHBondContact OD1-CB 3.34Å; N176-N178 VanDerWaalsContact OD1-CG 3.26Å; N176-N178 PolarHBondContact OD1-N 2.93Å; N176-N178 PolarHBondContact OD1-ND2 3.08Å; N176-Y202 HydrophobicContact CB-CD2 3.9Å; N176-Y202 HydrophobicContact CB-CG 4.48Å
177	A	98.8	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.			trans	-129.5	33.2	170.9	0	0	0	0	0	111.2	L165 F175 N180 L182 Y202 L203 N206	L165-A177 HydrophobicContact CD2-CB 4.34Å; F175-A177 HydrophobicContact CE1-CB 3.83Å; F175-A177 HydrophobicContact CE2-CB 4.46Å; F175-A177 HydrophobicContact CZ-CB 3.66Å; A177-N180 PolarHBondContact O-ND2 2.94Å; A177-L182 HydrophobicContact CB-CD1 4.08Å; A177-Y202 PolarHBondContact N-O 3.43Å; A177-L203 HydrophobicContact CB-CD2 4.09Å; A177-N206 PolarHBondContact O-ND2 3.5Å
178	N	98.9	Very high	97.7	Very high	28 Å²	28	46 Å²	46	15%	0.15	24%	0.24	C	C	.	.			trans	-55.9	154.3	172.5	-74.3	-13.1	0	0	0	111.6	A158 E159 N176 N180 Y202 L203 A204	A158-N178 CarbonylContact C-O 3.52Å; A158-N178 VanDerWaalsContact CA-O 3.25Å; A158-N178 WeakPolarHBondContact CA-O 3.35Å; A158-N178 HydrophobicContact CB-CB 4.38Å; E159-N178 PolarHBondContact N-O 2.92Å; N176-N178 VanDerWaalsContact OD1-CB 3.31Å; N176-N178 WeakPolarHBondContact OD1-CB 3.34Å; N176-N178 VanDerWaalsContact OD1-CG 3.26Å; N176-N178 PolarHBondContact OD1-N 2.93Å; N176-N178 PolarHBondContact OD1-ND2 3.08Å; N178-N180 PolarHBondContact O-N 3.12Å; N178-N180 PolarHBondContact O-ND2 2.55Å; N178-Y202 VanDerWaalsContact OD1-CB 3.24Å; N178-Y202 WeakPolarHBondContact OD1-CB 3.46Å; N178-Y202 PolarHBondContact OD1-O 3.06Å; N178-L203 PolarHBondContact OD1-N 3.15Å; N178-L203 VanDerWaalsContact OD1-N 3.12Å; N178-A204 CarbonylContact C-O 3.51Å; N178-A204 WeakPolarHBondContact CA-O 3.05Å; N178-A204 WeakPolarHBondContact OD1-CB 3.27Å; N178-A204 PolarHBondContact OD1-N 3.49Å
179	S	98.8	Very high	97.3	Very high	49 Å²	49	49 Å²	49	34%	0.343	27%	0.269	S	S	.	.	S	Bend	trans	55.9	55	170.8	-55.1	0	0	0	0	111.9	E159 N160 A204 N205	E159-S179 VanDerWaalsContact CA-O 3.29Å; E159-S179 WeakPolarHBondContact CA-O 3.23Å; E159-S179 PolarHBondContact N-O 2.95Å; N160-S179 PolarHBondContact N-O 3.25Å; S179-A204 PolarHBondContact N-O 2.92Å; S179-N205 WeakPolarHBondContact CA-O 3.5Å; S179-N205 PolarHBondContact N-O 3.27Å
180	N	98.9	Very high	97	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	29%	0.292	C	S	.	.	S	Bend	trans	-126.6	-168.7	175.8	-87.3	-83.2	0	0	0	109.5	L157 N160 R161 L162 A177 N178 L182 N205 N206	L157-N180 PolarHBondContact O-ND2 2.82Å; N160-N180 WeakPolarHBondContact CA-OD1 3.11Å; N160-N180 WeakPolarHBondContact CB-OD1 3.21Å; N160-N180 PolarHBondContact O-OD1 2.98Å; R161-N180 PolarHBondContact N-OD1 3.36Å; L162-N180 HydrophobicContact CB-CB 4.32Å; L162-N180 VanDerWaalsContact CB-OD1 3.27Å; L162-N180 WeakPolarHBondContact CB-OD1 3.44Å; L162-N180 WeakPolarHBondContact CG-OD1 3.44Å; L162-N180 PolarHBondContact N-OD1 3.29Å; A177-N180 PolarHBondContact O-ND2 2.94Å; N178-N180 PolarHBondContact O-N 3.12Å; N178-N180 PolarHBondContact O-ND2 2.55Å; N180-L182 HydrophobicContact CB-CD1 4.46Å; N180-L182 HydrophobicContact CB-CG 4.14Å; N180-N205 PolarHBondContact N-O 2.78Å; N180-N206 VanDerWaalsContact CA-OD1 3.31Å; N180-N206 WeakPolarHBondContact CA-OD1 3.12Å; N180-N206 WeakPolarHBondContact CB-OD1 3.31Å; N180-N206 PolarHBondContact N-OD1 2.86Å; N180-N206 PolarHBondContact O-OD1 2.78Å
181	L	98.7	Very high	97	Very high	74 Å²	74	52 Å²	52	39%	0.387	28%	0.279	S	S	.	.			trans	-113.5	29.5	-179.1	-56.2	173.1	0	0	0	111	R161 L162 V163 K183 N206	R161-L181 HydrophobicContact CB-CD1 4.37Å; L162-L181 CarbonylContact O-C 3.08Å; L162-L181 VanDerWaalsContact O-CA 3.32Å; L162-L181 WeakPolarHBondContact O-CA 3.27Å; L162-L181 PolarHBondContact O-N 2.86Å; V163-L181 HydrophobicContact CG1-CB 4.06Å; L181-K183 PolarHBondContact O-N 3.11Å; L181-N206 PolarHBondContact N-OD1 2.86Å
182	L	98.6	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.			trans	-70.5	125.2	-174.2	-62.4	170.9	0	0	0	110.4	L162 L165 A177 N180 V187 L203 N206 Q207 L208	L162-L182 HydrophobicContact CB-CD2 4.09Å; L162-L182 PolarHBondContact O-N 3.17Å; L165-L182 HydrophobicContact CD1-CD1 4.41Å; L165-L182 HydrophobicContact CD2-CD1 3.75Å; L165-L182 HydrophobicContact CD2-CD2 3.93Å; L165-L182 HydrophobicContact CG-CD1 4.04Å; L165-L182 HydrophobicContact CG-CD2 3.97Å; A177-L182 HydrophobicContact CB-CD1 4.08Å; N180-L182 HydrophobicContact CB-CD1 4.46Å; N180-L182 HydrophobicContact CB-CG 4.14Å; L182-V187 HydrophobicContact CB-CG2 4.49Å; L182-L203 HydrophobicContact CD1-CD2 4.22Å; L182-N206 HydrophobicContact CB-CB 4.26Å; L182-N206 VanDerWaalsContact CB-OD1 3.23Å; L182-N206 WeakPolarHBondContact CB-OD1 3.18Å; L182-N206 WeakPolarHBondContact CG-OD1 3.48Å; L182-N206 PolarHBondContact N-OD1 2.96Å; L182-Q207 CarbonylContact O-C 2.99Å; L182-Q207 VanDerWaalsContact O-CA 3.25Å; L182-Q207 WeakPolarHBondContact O-CA 3.24Å; L182-Q207 PolarHBondContact O-N 2.8Å; L182-L208 HydrophobicContact CB-CD2 4.22Å; L182-L208 PolarHBondContact O-N 2.95Å
183	K	98	Very high	96.8	Very high	99 Å²	99	53.4 Å²	53.4	43%	0.43	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-102.7	162.1	166.6	-63	-174.7	178.5	-171.2	0	109.8	L181 K185 G186 V187 Q207	L181-K183 PolarHBondContact O-N 3.11Å; K183-K185 PolarHBondContact O-N 3.23Å; K183-K185 VanDerWaalsContact O-N 3.13Å; K183-G186 WeakPolarHBondContact O-CA 3.23Å; K183-G186 PolarHBondContact O-N 3.12Å; K183-V187 PolarHBondContact O-N 2.76Å; K183-Q207 HydrophobicContact CG-CB 3.87Å
184	T	96.7	Very high	96.6	Very high	47 Å²	47	59.4 Å²	59.4	29%	0.288	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-52.7	-38.8	176.9	-50.9	0	0	0	0	112.1	G186 V187 E209 A210	T184-G186 PolarHBondContact O-N 2.9Å; T184-V187 CarbonylContact O-C 3.54Å; T184-V187 PolarHBondContact O-N 3.17Å; T184-V187 VanDerWaalsContact O-N 3.08Å; T184-E209 PolarHBondContact OG1-N 3.36Å; T184-A210 HydrophobicContact CG2-CB 4.21Å; T184-A210 PolarHBondContact OG1-N 3.27Å
185	K	96.2	Very high	96.6	Very high	204 Å²	204	58.6 Å²	58.6	89%	0.887	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.5	176.3	-64.4	-178.2	-178.9	177.8	0	114.1	K183 V187	K183-K185 PolarHBondContact O-N 3.23Å; K183-K185 VanDerWaalsContact O-N 3.13Å; K185-V187 VanDerWaalsContact C-N 3.34Å
186	G	96.4	Very high	96.5	Very high	13 Å²	13	63.8 Å²	63.8	13%	0.134	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-82.3	-11.9	176.4	0	0	0	0	0	113.8	V163 K164 L165 K183 T184	V163-G186 WeakPolarHBondContact O-CA 3.41Å; K164-G186 CarbonylContact C-O 3.25Å; K164-G186 VanDerWaalsContact CA-O 3.32Å; K164-G186 WeakPolarHBondContact CA-O 3.43Å; L165-G186 PolarHBondContact N-O 3.27Å; K183-G186 WeakPolarHBondContact O-CA 3.23Å; K183-G186 PolarHBondContact O-N 3.12Å; T184-G186 PolarHBondContact O-N 2.9Å
187	V	97.2	Very high	96.4	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	35%	0.346	C	S	.	.	S	Bend	trans	-111.7	106.4	177.9	-177.2	0	0	0	0	108.4	L165 L182 K183 T184 K185 A189 A191 F192 L208 P212	L165-V187 HydrophobicContact CD1-CG1 4.2Å; L165-V187 HydrophobicContact CD1-CG2 3.94Å; L165-V187 HydrophobicContact CG-CG2 4.19Å; L182-V187 HydrophobicContact CB-CG2 4.49Å; K183-V187 PolarHBondContact O-N 2.76Å; T184-V187 CarbonylContact O-C 3.54Å; T184-V187 PolarHBondContact O-N 3.17Å; T184-V187 VanDerWaalsContact O-N 3.08Å; K185-V187 VanDerWaalsContact C-N 3.34Å; V187-A189 PolarHBondContact O-N 2.7Å; V187-A191 HydrophobicContact CG1-CB 4.11Å; V187-F192 HydrophobicContact CG1-CE2 3.84Å; V187-F192 HydrophobicContact CG1-CZ 4.22Å; V187-L208 HydrophobicContact CG2-CD2 3.88Å; V187-P212 HydrophobicContact CG1-CB 3.95Å
188	K	94.3	Very high	96.4	Very high	130 Å²	130	65.1 Å²	65.1	57%	0.565	35%	0.346	S	S	*	.			trans	-57.7	141.1	177.7	-64	179.7	-177.7	172.4	0	109.7	N190 A191	K188-N190 PolarHBondContact O-N 3.17Å; K188-A191 HydrophobicContact CB-CB 4.29Å; K188-A191 WeakPolarHBondContact O-CB 3.48Å; K188-A191 PolarHBondContact O-N 3.11Å
189	A	88.4	Confident	96.4	Very high	88 Å²	88	64.9 Å²	64.9	73%	0.727	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.3	-178.1	0	0	0	0	0	113.6	V187 F213	V187-A189 PolarHBondContact O-N 2.7Å; A189-F213 WeakPolarHBondContact O-CB 3.46Å
190	N	90	Very high	96.4	Very high	104 Å²	104	64.5 Å²	64.5	56%	0.556	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	14.5	178.4	65.2	-11.4	0	0	0	113.8	K188 F192 K193	K188-N190 PolarHBondContact O-N 3.17Å; N190-F192 PolarHBondContact O-N 3.38Å; N190-F192 VanDerWaalsContact O-N 3.16Å; N190-K193 HydrophobicContact CB-CB 4.12Å; N190-K193 HydrophobicContact CB-CD 4.39Å; N190-K193 WeakPolarHBondContact O-CB 3.34Å; N190-K193 PolarHBondContact O-N 3.28Å; N190-K193 VanDerWaalsContact O-N 3.09Å
191	A	95.7	Very high	96.4	Very high	25 Å²	25	64.2 Å²	64.2	21%	0.207	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.7	-174.6	0	0	0	0	0	112.7	V187 K188	V187-A191 HydrophobicContact CG1-CB 4.11Å; K188-A191 HydrophobicContact CB-CB 4.29Å; K188-A191 WeakPolarHBondContact O-CB 3.48Å; K188-A191 PolarHBondContact O-N 3.11Å
192	F	97.1	Very high	96.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.009	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-6	-178.3	-49.8	-63.1	0	0	0	113.5	L165 L168 F175 V187 N190 K194 L195 L201 L203 P212 F213 P215	L165-F192 HydrophobicContact CD1-CE1 4.04Å; L165-F192 HydrophobicContact CD1-CZ 3.62Å; L168-F192 HydrophobicContact CD1-CD1 3.87Å; L168-F192 HydrophobicContact CD1-CE1 3.66Å; F175-F192 AromaticContact CD1-CE1 3.98Å; F175-F192 HydrophobicContact CD1-CE1 3.98Å; F175-F192 HydrophobicContact CE1-CE1 4.08Å; V187-F192 HydrophobicContact CG1-CE2 3.84Å; V187-F192 HydrophobicContact CG1-CZ 4.22Å; N190-F192 PolarHBondContact O-N 3.38Å; N190-F192 VanDerWaalsContact O-N 3.16Å; F192-K194 PolarHBondContact O-N 3.33Å; F192-L195 HydrophobicContact CB-CD1 4.23Å; F192-L195 HydrophobicContact CD1-CD1 3.78Å; F192-L195 WeakPolarHBondContact O-CB 3.43Å; F192-L195 PolarHBondContact O-N 3.47Å; F192-L201 HydrophobicContact CD1-CD1 4.45Å; F192-L201 HydrophobicContact CD2-CD2 4.3Å; F192-L201 HydrophobicContact CE1-CD1 3.96Å; F192-L201 HydrophobicContact CE2-CD2 4.32Å; F192-L201 HydrophobicContact CG-CD2 4.45Å; F192-L201 HydrophobicContact CZ-CD1 4.12Å; F192-L201 HydrophobicContact CZ-CD2 4.48Å; F192-L203 HydrophobicContact CE2-CD1 4.1Å; F192-L203 HydrophobicContact CZ-CD1 3.99Å; F192-L203 HydrophobicContact CZ-CD2 4.45Å; F192-P212 HydrophobicContact CD2-CB 4.25Å; F192-P212 HydrophobicContact CD2-CG 4.42Å; F192-P212 HydrophobicContact CE2-CB 3.91Å; F192-P212 HydrophobicContact CE2-CG 3.86Å; F192-F213 WeakPolarHBondContact CD2-O 3.47Å; F192-P215 HydrophobicContact CB-CG 3.75Å; F192-P215 WeakPolarHBondContact O-CG 3.22Å
193	K	95.1	Very high	96.4	Very high	141 Å²	141	62.8 Å²	62.8	61%	0.613	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.1	-169.6	-176.3	173.7	-179.4	173.9	0	114.1	N190 F213	N190-K193 HydrophobicContact CB-CB 4.12Å; N190-K193 HydrophobicContact CB-CD 4.39Å; N190-K193 WeakPolarHBondContact O-CB 3.34Å; N190-K193 PolarHBondContact O-N 3.28Å; N190-K193 VanDerWaalsContact O-N 3.09Å; K193-F213 HydrophobicContact CB-CD1 4.23Å; K193-F213 HydrophobicContact CB-CE1 4.22Å; K193-F213 HydrophobicContact CG-CE1 4.33Å
194	K	95.3	Very high	96.4	Very high	172 Å²	172	58.1 Å²	58.1	75%	0.748	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.3	-178.7	-64.2	-174.5	178.4	-176.9	0	113.8	F192 T196	F192-K194 PolarHBondContact O-N 3.33Å; K194-T196 VanDerWaalsContact C-N 3.31Å; K194-T196 PolarHBondContact O-N 3.21Å; K194-T196 VanDerWaalsContact O-N 3.08Å
195	L	97.3	Very high	96.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	32%	0.315	C	S	.	.			trans	-87.9	68.2	-174.9	-50.7	-175.8	0	0	0	110.5	L168 P169 F192 S197 L198 S217	L168-L195 HydrophobicContact CB-CD1 4.15Å; L168-L195 HydrophobicContact CB-CD2 4.14Å; L168-L195 HydrophobicContact CD1-CD1 3.91Å; P169-L195 WeakPolarHBondContact O-CD2 3.49Å; F192-L195 HydrophobicContact CB-CD1 4.23Å; F192-L195 HydrophobicContact CD1-CD1 3.78Å; F192-L195 WeakPolarHBondContact O-CB 3.43Å; F192-L195 PolarHBondContact O-N 3.47Å; L195-S197 PolarHBondContact O-N 2.84Å; L195-L198 HydrophobicContact CB-CB 3.86Å; L195-L198 HydrophobicContact CB-CD2 4.37Å; L195-L198 HydrophobicContact CD1-CD2 3.99Å; L195-L198 WeakPolarHBondContact O-CB 3.32Å; L195-L198 PolarHBondContact O-N 3.39Å; L195-S217 PolarHBondContact O-OG 3.28Å
196	T	96.5	Very high	96.7	Very high	109 Å²	109	50.1 Å²	50.1	67%	0.669	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.3	-173.2	54.6	0	0	0	0	114.3	K194 S217	K194-T196 VanDerWaalsContact C-N 3.31Å; K194-T196 PolarHBondContact O-N 3.21Å; K194-T196 VanDerWaalsContact O-N 3.08Å; T196-S217 WeakPolarHBondContact O-CB 3.17Å; T196-S217 PolarHBondContact O-OG 2.68Å
197	S	97.7	Very high	96.8	Very high	64 Å²	64	53.2 Å²	53.2	45%	0.448	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	1	178	-60.9	0	0	0	0	112.9	L172 T173 L195 A199	L172-S197 CarbonylContact O-C 3.6Å; T173-S197 WeakPolarHBondContact CA-O 3.27Å; L195-S197 PolarHBondContact O-N 2.84Å; S197-A199 PolarHBondContact O-N 3.43Å
198	L	98.6	Very high	96.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.			trans	-69.9	116.8	-175.7	-169.8	73.5	0	0	0	110.2	L172 F175 L195 L201 S217 V218	L172-L198 HydrophobicContact CB-CD1 4.11Å; L172-L198 VanDerWaalsContact O-CA 3.22Å; L172-L198 WeakPolarHBondContact O-CA 3.25Å; L172-L198 PolarHBondContact O-N 3.22Å; F175-L198 HydrophobicContact CB-CD1 3.98Å; L195-L198 HydrophobicContact CB-CB 3.86Å; L195-L198 HydrophobicContact CB-CD2 4.37Å; L195-L198 HydrophobicContact CD1-CD2 3.99Å; L195-L198 WeakPolarHBondContact O-CB 3.32Å; L195-L198 PolarHBondContact O-N 3.39Å; L198-L201 HydrophobicContact CD2-CB 4.11Å; L198-L201 HydrophobicContact CD2-CD1 4.32Å; L198-L201 HydrophobicContact CD2-CD2 4.37Å; L198-S217 PolarHBondContact N-OG 2.8Å; L198-S217 CarbonylContact O-C 3.54Å; L198-S217 VanDerWaalsContact O-CB 3.27Å; L198-S217 WeakPolarHBondContact O-CB 3.16Å; L198-S217 PolarHBondContact O-OG 3.23Å; L198-V218 HydrophobicContact CB-CG2 4.46Å; L198-V218 HydrophobicContact CD2-CG2 4.11Å; L198-V218 HydrophobicContact CG-CG2 4.33Å; L198-V218 VanDerWaalsContact O-CA 3.28Å; L198-V218 WeakPolarHBondContact O-CA 3.49Å; L198-V218 PolarHBondContact O-N 3.44Å; L198-V218 VanDerWaalsContact O-N 3.1Å
199	A	98.6	Very high	97	Very high	22 Å²	22	51 Å²	51	18%	0.182	28%	0.277	C	S	.	.			trans	-100.2	-36.6	177.9	0	0	0	0	0	111.7	T173 S197 R219 I220	T173-A199 PolarHBondContact O-N 3.44Å; S197-A199 PolarHBondContact O-N 3.43Å; A199-R219 HydrophobicContact CB-CG 4.45Å; A199-R219 PolarHBondContact O-N 3.38Å; A199-I220 PolarHBondContact O-N 2.93Å
200	N	98.8	Very high	97.4	Very high	42 Å²	42	48.4 Å²	48.4	23%	0.225	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.2	-175.5	-53.2	-36.2	0	0	0	110.6	T173 F175 Y202	T173-N200 PolarHBondContact O-N 3.07Å; F175-N200 PolarHBondContact N-O 2.93Å; N200-Y202 HydrophobicContact CB-CD2 4.42Å; N200-Y202 HydrophobicContact CB-CE2 3.57Å
201	L	98.8	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	113	177.7	179.1	55.8	0	0	0	110.1	F175 F192 L198 L203 I214 V218 I220 L221 H222	F175-L201 HydrophobicContact CB-CD1 4.42Å; F175-L201 HydrophobicContact CD1-CD1 3.72Å; F192-L201 HydrophobicContact CD1-CD1 4.45Å; F192-L201 HydrophobicContact CD2-CD2 4.3Å; F192-L201 HydrophobicContact CE1-CD1 3.96Å; F192-L201 HydrophobicContact CE2-CD2 4.32Å; F192-L201 HydrophobicContact CG-CD2 4.45Å; F192-L201 HydrophobicContact CZ-CD1 4.12Å; F192-L201 HydrophobicContact CZ-CD2 4.48Å; L198-L201 HydrophobicContact CD2-CB 4.11Å; L198-L201 HydrophobicContact CD2-CD1 4.32Å; L198-L201 HydrophobicContact CD2-CD2 4.37Å; L201-L203 HydrophobicContact CD1-CD1 4.05Å; L201-L203 HydrophobicContact CD1-CD2 4.36Å; L201-L203 HydrophobicContact CD1-CG 3.94Å; L201-L203 HydrophobicContact CD2-CD1 4.2Å; L201-L203 HydrophobicContact CG-CD1 4.1Å; L201-L203 HydrophobicContact CG-CG 4.2Å; L201-I214 HydrophobicContact CD2-CD1 4.01Å; L201-V218 HydrophobicContact CB-CG1 4.37Å; L201-I220 PolarHBondContact N-O 2.91Å; L201-L221 HydrophobicContact CB-CD1 4.13Å; L201-L221 HydrophobicContact CD2-CD1 3.96Å; L201-L221 HydrophobicContact CG-CD1 4.01Å; L201-L221 WeakPolarHBondContact O-CA 3.29Å; L201-H222 PolarHBondContact O-N 3.33Å
202	Y	98.9	Very high	97.7	Very high	45 Å²	45	44.3 Å²	44.3	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115	-179.3	-48.5	-81.5	0	0	0	110.7	F175 N176 A177 N178 N200 I220 H222	F175-Y202 PolarHBondContact O-N 2.99Å; N176-Y202 HydrophobicContact CB-CD2 3.9Å; N176-Y202 HydrophobicContact CB-CG 4.48Å; A177-Y202 PolarHBondContact N-O 3.43Å; N178-Y202 VanDerWaalsContact OD1-CB 3.24Å; N178-Y202 WeakPolarHBondContact OD1-CB 3.46Å; N178-Y202 PolarHBondContact OD1-O 3.06Å; N200-Y202 HydrophobicContact CB-CD2 4.42Å; N200-Y202 HydrophobicContact CB-CE2 3.57Å; Y202-I220 HydrophobicContact CE1-CG2 3.84Å; Y202-H222 HydrophobicContact CD1-CB 3.85Å; Y202-H222 AromaticContact CD1-CG 3.64Å; Y202-H222 AromaticContact CD1-ND1 3.44Å; Y202-H222 WeakPolarHBondContact CD1-ND1 2.94Å; Y202-H222 AromaticContact CE1-CE1 3.85Å; Y202-H222 AromaticContact CE1-ND1 3.71Å
203	L	98.8	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.			trans	-133.7	19.8	-178.6	-65.2	174.6	0	0	0	111.7	F175 A177 N178 L182 F192 L201 N206 L208 P212 H222 L223 N226	F175-L203 HydrophobicContact CE1-CD2 4.4Å; A177-L203 HydrophobicContact CB-CD2 4.09Å; N178-L203 PolarHBondContact OD1-N 3.15Å; N178-L203 VanDerWaalsContact OD1-N 3.12Å; L182-L203 HydrophobicContact CD1-CD2 4.22Å; F192-L203 HydrophobicContact CE2-CD1 4.1Å; F192-L203 HydrophobicContact CZ-CD1 3.99Å; F192-L203 HydrophobicContact CZ-CD2 4.45Å; L201-L203 HydrophobicContact CD1-CD1 4.05Å; L201-L203 HydrophobicContact CD1-CD2 4.36Å; L201-L203 HydrophobicContact CD1-CG 3.94Å; L201-L203 HydrophobicContact CD2-CD1 4.2Å; L201-L203 HydrophobicContact CG-CD1 4.1Å; L201-L203 HydrophobicContact CG-CG 4.2Å; L203-N206 PolarHBondContact O-ND2 2.99Å; L203-N206 VanDerWaalsContact O-ND2 3.15Å; L203-L208 HydrophobicContact CB-CD1 4.07Å; L203-L208 HydrophobicContact CD1-CD1 4.22Å; L203-P212 HydrophobicContact CD1-CG 3.93Å; L203-H222 CarbonylContact C-O 3.48Å; L203-H222 WeakPolarHBondContact CA-O 3.32Å; L203-H222 PolarHBondContact N-O 2.94Å; L203-L223 HydrophobicContact CB-CD2 3.89Å; L203-L223 HydrophobicContact CD1-CD2 4.13Å; L203-N226 PolarHBondContact O-ND2 3.23Å
204	A	98.8	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.			trans	-65.1	160.1	179.3	0	0	0	0	0	112.2	N178 S179 N206 H222 Q224	N178-A204 CarbonylContact C-O 3.51Å; N178-A204 WeakPolarHBondContact CA-O 3.05Å; N178-A204 WeakPolarHBondContact OD1-CB 3.27Å; N178-A204 PolarHBondContact OD1-N 3.49Å; S179-A204 PolarHBondContact N-O 2.92Å; A204-N206 PolarHBondContact O-N 2.85Å; A204-N206 PolarHBondContact O-ND2 3.47Å; A204-H222 HydrophobicContact CB-CB 4.39Å; A204-H222 PolarHBondContact N-O 2.92Å; A204-Q224 CarbonylContact C-O 3.33Å; A204-Q224 WeakPolarHBondContact CA-O 3.27Å; A204-Q224 HydrophobicContact CB-CG 3.82Å; A204-Q224 WeakPolarHBondContact CB-O 3.4Å
205	N	98.8	Very high	97.6	Very high	73 Å²	73	34.6 Å²	34.6	39%	0.39	19%	0.191	S	C	.	.	S	Bend	trans	54.2	55.7	177.7	-65	-79.1	0	0	0	111.8	S179 N180 Q224 D225	S179-N205 WeakPolarHBondContact CA-O 3.5Å; S179-N205 PolarHBondContact N-O 3.27Å; N180-N205 PolarHBondContact N-O 2.78Å; N205-Q224 PolarHBondContact N-O 3.04Å; N205-D225 WeakPolarHBondContact CA-O 3.22Å; N205-D225 PolarHBondContact N-O 3.1Å; N205-D225 WeakPolarHBondContact OD1-CB 3.22Å
206	N	98.9	Very high	97.5	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	21%	0.208	C	C	.	.	S	Bend	trans	-132.5	-164.8	177.6	-87	-78.4	0	0	0	109	A177 N180 L181 L182 L203 A204 L208 D225 N226	A177-N206 PolarHBondContact O-ND2 3.5Å; N180-N206 VanDerWaalsContact CA-OD1 3.31Å; N180-N206 WeakPolarHBondContact CA-OD1 3.12Å; N180-N206 WeakPolarHBondContact CB-OD1 3.31Å; N180-N206 PolarHBondContact N-OD1 2.86Å; N180-N206 PolarHBondContact O-OD1 2.78Å; L181-N206 PolarHBondContact N-OD1 2.86Å; L182-N206 HydrophobicContact CB-CB 4.26Å; L182-N206 VanDerWaalsContact CB-OD1 3.23Å; L182-N206 WeakPolarHBondContact CB-OD1 3.18Å; L182-N206 WeakPolarHBondContact CG-OD1 3.48Å; L182-N206 PolarHBondContact N-OD1 2.96Å; L203-N206 PolarHBondContact O-ND2 2.99Å; L203-N206 VanDerWaalsContact O-ND2 3.15Å; A204-N206 PolarHBondContact O-N 2.85Å; A204-N206 PolarHBondContact O-ND2 3.47Å; N206-L208 HydrophobicContact CB-CG 4.35Å; N206-D225 PolarHBondContact N-O 2.7Å; N206-N226 WeakPolarHBondContact CA-OD1 3.25Å; N206-N226 WeakPolarHBondContact CB-OD1 3.2Å; N206-N226 PolarHBondContact O-OD1 3.12Å
207	Q	98.6	Very high	97.5	Very high	77 Å²	77	34.5 Å²	34.5	36%	0.36	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-122.7	33.1	-179.2	-60.8	173.2	31.1	0	0	110.9	L182 K183 E209 N226	L182-Q207 CarbonylContact O-C 2.99Å; L182-Q207 VanDerWaalsContact O-CA 3.25Å; L182-Q207 WeakPolarHBondContact O-CA 3.24Å; L182-Q207 PolarHBondContact O-N 2.8Å; K183-Q207 HydrophobicContact CG-CB 3.87Å; Q207-E209 PolarHBondContact O-N 2.9Å; Q207-N226 PolarHBondContact N-OD1 3.08Å
208	L	98.4	Very high	97.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.165	C	C	.	.			trans	-68.2	131	179.1	-60.3	175.7	0	0	0	109.7	L182 V187 L203 N206 L223 N226 N227 I228	L182-L208 HydrophobicContact CB-CD2 4.22Å; L182-L208 PolarHBondContact O-N 2.95Å; V187-L208 HydrophobicContact CG2-CD2 3.88Å; L203-L208 HydrophobicContact CB-CD1 4.07Å; L203-L208 HydrophobicContact CD1-CD1 4.22Å; N206-L208 HydrophobicContact CB-CG 4.35Å; L208-L223 HydrophobicContact CD1-CD2 4.03Å; L208-N226 HydrophobicContact CB-CB 4.24Å; L208-N226 VanDerWaalsContact CB-OD1 3.27Å; L208-N226 WeakPolarHBondContact CB-OD1 3.33Å; L208-N226 WeakPolarHBondContact CG-OD1 3.48Å; L208-N226 PolarHBondContact N-OD1 3.45Å; L208-N227 CarbonylContact O-C 3.46Å; L208-N227 VanDerWaalsContact O-CA 3.22Å; L208-N227 WeakPolarHBondContact O-CA 3.33Å; L208-N227 PolarHBondContact O-N 3.22Å; L208-I228 HydrophobicContact CB-CG1 4.43Å; L208-I228 WeakPolarHBondContact O-CG1 3.32Å; L208-I228 PolarHBondContact O-N 3.03Å; L208-I228 VanDerWaalsContact O-N 3.07Å
209	E	97.3	Very high	97.5	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	19%	0.192	S	C	.	.	S	Bend	trans	-95.2	-16.2	179.5	-64.9	166.3	-153.4	0	0	112.1	T184 Q207 N227 I228 T229	T184-E209 PolarHBondContact OG1-N 3.36Å; Q207-E209 PolarHBondContact O-N 2.9Å; E209-N227 WeakPolarHBondContact CA-O 3.34Å; E209-I228 WeakPolarHBondContact O-CA 3.49Å; E209-T229 PolarHBondContact O-N 3.11Å
210	A	96.5	Very high	97.5	Very high	35 Å²	35	39.5 Å²	39.5	29%	0.289	19%	0.193	S	C	.	.	S	Bend	trans	-146.8	156.5	178.9	0	0	0	0	0	110.4	T184	T184-A210 HydrophobicContact CG2-CB 4.21Å; T184-A210 PolarHBondContact OG1-N 3.27Å
211	V	96.3	Very high	97.5	Very high	25 Å²	25	37.5 Å²	37.5	15%	0.152	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-71.2	124.4	174.5	-178.4	0	0	0	0	109.2	I214 L223 I228 V231 T235 F236 M254	V211-I214 HydrophobicContact CG1-CD1 4.14Å; V211-I214 HydrophobicContact CG1-CG1 4.02Å; V211-L223 HydrophobicContact CG1-CD1 3.89Å; V211-L223 HydrophobicContact CG2-CD1 4.17Å; V211-I228 HydrophobicContact CG2-CD1 4.03Å; V211-I228 HydrophobicContact CG2-CG2 4.14Å; V211-V231 HydrophobicContact CG2-CG1 4.06Å; V211-T235 HydrophobicContact CB-CG2 3.65Å; V211-T235 HydrophobicContact CG1-CG2 3.72Å; V211-T235 HydrophobicContact CG2-CG2 3.87Å; V211-F236 HydrophobicContact CG1-CE1 4.36Å; V211-F236 HydrophobicContact CG1-CZ 4.25Å; V211-F236 HydrophobicContact CG2-CZ 4.48Å; V211-M254 HydrophobicContact CG2-CE 3.53Å
212	P	95.8	Very high	97.5	Very high	17 Å²	17	38.9 Å²	38.9	11%	0.11	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-70.7	166.9	174.4	30.8	-34.7	0	0	0	111	V187 F192 L203 I214	V187-P212 HydrophobicContact CG1-CB 3.95Å; F192-P212 HydrophobicContact CD2-CB 4.25Å; F192-P212 HydrophobicContact CD2-CG 4.42Å; F192-P212 HydrophobicContact CE2-CB 3.91Å; F192-P212 HydrophobicContact CE2-CG 3.86Å; L203-P212 HydrophobicContact CD1-CG 3.93Å; P212-I214 HydrophobicContact CG-CD1 4.13Å; P212-I214 WeakPolarHBondContact O-CD1 3.33Å; P212-I214 WeakPolarHBondContact O-CG1 3.19Å; P212-I214 PolarHBondContact O-N 3.14Å
213	F	95.3	Very high	97.5	Very high	101 Å²	101	36.7 Å²	36.7	44%	0.443	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-57.3	123.3	173.7	175.2	-93.3	0	0	0	111.1	A189 F192 K193 P215	A189-F213 WeakPolarHBondContact O-CB 3.46Å; F192-F213 WeakPolarHBondContact CD2-O 3.47Å; K193-F213 HydrophobicContact CB-CD1 4.23Å; K193-F213 HydrophobicContact CB-CE1 4.22Å; K193-F213 HydrophobicContact CG-CE1 4.33Å; F213-P215 HydrophobicContact CE1-CG 4.41Å
214	I	96	Very high	97.5	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-103.7	120.4	-179.4	-49.1	-56.2	0	0	0	109.8	L201 V211 P212 V218 L221 R246	L201-I214 HydrophobicContact CD2-CD1 4.01Å; V211-I214 HydrophobicContact CG1-CD1 4.14Å; V211-I214 HydrophobicContact CG1-CG1 4.02Å; P212-I214 HydrophobicContact CG-CD1 4.13Å; P212-I214 WeakPolarHBondContact O-CD1 3.33Å; P212-I214 WeakPolarHBondContact O-CG1 3.19Å; P212-I214 PolarHBondContact O-N 3.14Å; I214-V218 HydrophobicContact CG2-CB 3.81Å; I214-V218 HydrophobicContact CG2-CG1 4.01Å; I214-V218 HydrophobicContact CG2-CG2 3.87Å; I214-L221 HydrophobicContact CD1-CD1 3.87Å; I214-L221 HydrophobicContact CD1-CD2 3.92Å; I214-L221 HydrophobicContact CG1-CD2 3.83Å; I214-L221 HydrophobicContact CG2-CD2 4.14Å; I214-R246 PolarHBondContact O-NH2 2.04Å
215	P	96	Very high	97.5	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.039	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-60.1	150.6	177.1	-24.8	35.1	0	0	0	114	F192 F213 S217 V218 R246	F192-P215 HydrophobicContact CB-CG 3.75Å; F192-P215 WeakPolarHBondContact O-CG 3.22Å; F213-P215 HydrophobicContact CE1-CG 4.41Å; P215-S217 PolarHBondContact O-N 3.01Å; P215-V218 HydrophobicContact CB-CG2 4.18Å; P215-V218 HydrophobicContact CG-CG2 4.32Å; P215-V218 WeakPolarHBondContact O-CB 3.15Å; P215-V218 PolarHBondContact O-N 2.93Å; P215-R246 PolarHBondContact O-NH2 3.04Å
216	E	94.7	Very high	97.5	Very high	79 Å²	79	37.9 Å²	37.9	37%	0.369	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.8	178.4	-66.7	-69.5	173.2	0	0	113.4	V218 K238 Y244 S248	E216-V218 VanDerWaalsContact C-N 3.28Å; E216-V218 PolarHBondContact O-N 2.95Å; E216-K238 WeakPolarHBondContact OE1-CE 3.38Å; E216-K238 IonicContact OE1-NZ 2.7Å; E216-K238 PolarHBondContact OE1-NZ 2.98Å; E216-Y244 PolarHBondContact OE1-OH 2.66Å; E216-Y244 VanDerWaalsContact OE1-OH 3.11Å; E216-Y244 PolarHBondContact OE2-OH 2.87Å; E216-S248 WeakPolarHBondContact O-CB 3.29Å; E216-S248 PolarHBondContact O-OG 3.18Å
217	S	96.9	Very high	97.5	Very high	29 Å²	29	41 Å²	41	20%	0.203	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.2	-178.5	56.7	0	0	0	0	114	L195 T196 L198 P215 R219	L195-S217 PolarHBondContact O-OG 3.28Å; T196-S217 WeakPolarHBondContact O-CB 3.17Å; T196-S217 PolarHBondContact O-OG 2.68Å; L198-S217 PolarHBondContact N-OG 2.8Å; L198-S217 CarbonylContact O-C 3.54Å; L198-S217 VanDerWaalsContact O-CB 3.27Å; L198-S217 WeakPolarHBondContact O-CB 3.16Å; L198-S217 PolarHBondContact O-OG 3.23Å; P215-S217 PolarHBondContact O-N 3.01Å; S217-R219 PolarHBondContact O-N 2.95Å
218	V	98	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.			trans	-66.8	131.9	-173.6	175.8	0	0	0	0	110.4	L198 L201 I214 P215 E216 I220 L221	L198-V218 HydrophobicContact CB-CG2 4.46Å; L198-V218 HydrophobicContact CD2-CG2 4.11Å; L198-V218 HydrophobicContact CG-CG2 4.33Å; L198-V218 VanDerWaalsContact O-CA 3.28Å; L198-V218 WeakPolarHBondContact O-CA 3.49Å; L198-V218 PolarHBondContact O-N 3.44Å; L198-V218 VanDerWaalsContact O-N 3.1Å; L201-V218 HydrophobicContact CB-CG1 4.37Å; I214-V218 HydrophobicContact CG2-CB 3.81Å; I214-V218 HydrophobicContact CG2-CG1 4.01Å; I214-V218 HydrophobicContact CG2-CG2 3.87Å; P215-V218 HydrophobicContact CB-CG2 4.18Å; P215-V218 HydrophobicContact CG-CG2 4.32Å; P215-V218 WeakPolarHBondContact O-CB 3.15Å; P215-V218 PolarHBondContact O-N 2.93Å; E216-V218 VanDerWaalsContact C-N 3.28Å; E216-V218 PolarHBondContact O-N 2.95Å; V218-I220 WeakPolarHBondContact CG1-O 3.27Å; V218-L221 HydrophobicContact CG1-CB 4.19Å
219	R	98.1	Very high	97.4	Very high	153 Å²	153	41 Å²	41	58%	0.577	21%	0.208	S	C	*	.			trans	-109.7	-41.5	178.6	-54.8	-175.8	-179.3	-177.7	-1.7	112.1	A199 S217 S248 S250 E251	A199-R219 HydrophobicContact CB-CG 4.45Å; A199-R219 PolarHBondContact O-N 3.38Å; S217-R219 PolarHBondContact O-N 2.95Å; R219-S248 VanDerWaalsContact CA-O 3.23Å; R219-S248 WeakPolarHBondContact CA-O 3.28Å; R219-S248 WeakPolarHBondContact CB-O 3.45Å; R219-S248 WeakPolarHBondContact CG-O 3.03Å; R219-S250 PolarHBondContact O-N 2.81Å; R219-S250 PolarHBondContact O-OG 2.83Å; R219-E251 PolarHBondContact O-N 3.19Å
220	I	98.6	Very high	97.2	Very high	39 Å²	39	42.4 Å²	42.4	20%	0.2	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.2	179.5	-57.7	178.7	0	0	0	108.4	A199 L201 Y202 V218 E251	A199-I220 PolarHBondContact O-N 2.93Å; L201-I220 PolarHBondContact N-O 2.91Å; Y202-I220 HydrophobicContact CE1-CG2 3.84Å; V218-I220 WeakPolarHBondContact CG1-O 3.27Å; I220-E251 HydrophobicContact CG1-CB 4.43Å; I220-E251 HydrophobicContact CG2-CB 4.45Å
221	L	98.6	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.1	178.6	178.2	61.1	0	0	0	110.8	L201 I214 V218 L223 F236 L249 E251 V252 R253	L201-L221 HydrophobicContact CB-CD1 4.13Å; L201-L221 HydrophobicContact CD2-CD1 3.96Å; L201-L221 HydrophobicContact CG-CD1 4.01Å; L201-L221 WeakPolarHBondContact O-CA 3.29Å; I214-L221 HydrophobicContact CD1-CD1 3.87Å; I214-L221 HydrophobicContact CD1-CD2 3.92Å; I214-L221 HydrophobicContact CG1-CD2 3.83Å; I214-L221 HydrophobicContact CG2-CD2 4.14Å; V218-L221 HydrophobicContact CG1-CB 4.19Å; L221-L223 HydrophobicContact CD1-CD1 4.02Å; L221-L223 HydrophobicContact CD1-CD2 4.44Å; L221-L223 HydrophobicContact CD1-CG 3.92Å; L221-L223 HydrophobicContact CD2-CD1 3.75Å; L221-L223 HydrophobicContact CD2-CG 4.47Å; L221-L223 HydrophobicContact CG-CD1 3.85Å; L221-L223 HydrophobicContact CG-CG 4.02Å; L221-F236 HydrophobicContact CD2-CE1 3.65Å; L221-F236 HydrophobicContact CD2-CZ 4.42Å; L221-L249 HydrophobicContact CB-CD2 4.3Å; L221-E251 PolarHBondContact N-O 3.11Å; L221-V252 HydrophobicContact CD2-CG1 4.25Å; L221-V252 WeakPolarHBondContact O-CA 3.36Å; L221-R253 PolarHBondContact O-N 3.17Å
222	H	98.8	Very high	97.1	Very high	28 Å²	28	44.2 Å²	44.2	13%	0.13	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.9	176.9	-74	-167.5	0	0	0	110.1	L201 Y202 L203 A204 Q224 E251	L201-H222 PolarHBondContact O-N 3.33Å; Y202-H222 HydrophobicContact CD1-CB 3.85Å; Y202-H222 AromaticContact CD1-CG 3.64Å; Y202-H222 AromaticContact CD1-ND1 3.44Å; Y202-H222 WeakPolarHBondContact CD1-ND1 2.94Å; Y202-H222 AromaticContact CE1-CE1 3.85Å; Y202-H222 AromaticContact CE1-ND1 3.71Å; L203-H222 CarbonylContact C-O 3.48Å; L203-H222 WeakPolarHBondContact CA-O 3.32Å; L203-H222 PolarHBondContact N-O 2.94Å; A204-H222 HydrophobicContact CB-CB 4.39Å; A204-H222 PolarHBondContact N-O 2.92Å; H222-Q224 VanDerWaalsContact CB-OE1 3.24Å; H222-E251 IonicContact CD2-OE1 3.78Å; H222-E251 IonicContact CE1-OE1 3.61Å; H222-E251 IonicContact NE2-OE1 2.73Å; H222-E251 PolarHBondContact NE2-OE1 3.01Å
223	L	98.7	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.			trans	-128.2	10.8	179.3	-69.3	166.8	0	0	0	111.6	L203 L208 V211 L221 N226 I228 R253 M254 N257	L203-L223 HydrophobicContact CB-CD2 3.89Å; L203-L223 HydrophobicContact CD1-CD2 4.13Å; L208-L223 HydrophobicContact CD1-CD2 4.03Å; V211-L223 HydrophobicContact CG1-CD1 3.89Å; V211-L223 HydrophobicContact CG2-CD1 4.17Å; L221-L223 HydrophobicContact CD1-CD1 4.02Å; L221-L223 HydrophobicContact CD1-CD2 4.44Å; L221-L223 HydrophobicContact CD1-CG 3.92Å; L221-L223 HydrophobicContact CD2-CD1 3.75Å; L221-L223 HydrophobicContact CD2-CG 4.47Å; L221-L223 HydrophobicContact CG-CD1 3.85Å; L221-L223 HydrophobicContact CG-CG 4.02Å; L223-N226 PolarHBondContact O-ND2 2.75Å; L223-I228 HydrophobicContact CB-CD1 4.12Å; L223-I228 HydrophobicContact CD1-CD1 4.46Å; L223-I228 HydrophobicContact CD2-CD1 4.49Å; L223-R253 CarbonylContact C-O 3.14Å; L223-R253 WeakPolarHBondContact CA-O 3.04Å; L223-R253 WeakPolarHBondContact CB-O 3.27Å; L223-R253 PolarHBondContact N-O 3.46Å; L223-M254 HydrophobicContact CB-CG 4.48Å; L223-N257 PolarHBondContact O-ND2 3.34Å
224	Q	98.6	Very high	96.8	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	23%	0.232	C	C	.	.			trans	-61.2	154.3	-178.8	70.5	-82.3	14.9	0	0	112.1	A204 N205 H222 N226 R253 D255	A204-Q224 CarbonylContact C-O 3.33Å; A204-Q224 WeakPolarHBondContact CA-O 3.27Å; A204-Q224 HydrophobicContact CB-CG 3.82Å; A204-Q224 WeakPolarHBondContact CB-O 3.4Å; N205-Q224 PolarHBondContact N-O 3.04Å; H222-Q224 VanDerWaalsContact CB-OE1 3.24Å; Q224-N226 PolarHBondContact O-N 3.01Å; Q224-N226 PolarHBondContact O-ND2 2.86Å; Q224-R253 HydrophobicContact CB-CB 4.41Å; Q224-R253 PolarHBondContact N-O 3.36Å; Q224-D255 CarbonylContact C-O 3.57Å; Q224-D255 WeakPolarHBondContact CA-O 3.32Å; Q224-D255 WeakPolarHBondContact CB-O 3.22Å; Q224-D255 WeakPolarHBondContact CB-OD1 3.36Å
225	D	98.6	Very high	96.7	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	24%	0.237	S	C	.	.	S	Bend	trans	55.8	53.5	178.1	-51.8	-51.9	0	0	0	112.1	N205 N206 D255	N205-D225 WeakPolarHBondContact CA-O 3.22Å; N205-D225 PolarHBondContact N-O 3.1Å; N205-D225 WeakPolarHBondContact OD1-CB 3.22Å; N206-D225 PolarHBondContact N-O 2.7Å; D225-D255 PolarHBondContact N-O 2.77Å
226	N	98.8	Very high	96.6	Very high	11 Å²	11	46.1 Å²	46.1	6%	0.059	24%	0.235	C	C	.	.	S	Bend	trans	-121.6	-172.2	171	-86.4	-82.7	0	0	0	109.6	L203 N206 Q207 L208 L223 Q224 I228 N257	L203-N226 PolarHBondContact O-ND2 3.23Å; N206-N226 WeakPolarHBondContact CA-OD1 3.25Å; N206-N226 WeakPolarHBondContact CB-OD1 3.2Å; N206-N226 PolarHBondContact O-OD1 3.12Å; Q207-N226 PolarHBondContact N-OD1 3.08Å; L208-N226 HydrophobicContact CB-CB 4.24Å; L208-N226 VanDerWaalsContact CB-OD1 3.27Å; L208-N226 WeakPolarHBondContact CB-OD1 3.33Å; L208-N226 WeakPolarHBondContact CG-OD1 3.48Å; L208-N226 PolarHBondContact N-OD1 3.45Å; L223-N226 PolarHBondContact O-ND2 2.75Å; Q224-N226 PolarHBondContact O-N 3.01Å; Q224-N226 PolarHBondContact O-ND2 2.86Å; N226-I228 HydrophobicContact CB-CD1 4.21Å; N226-I228 HydrophobicContact CB-CG1 4.11Å; N226-N257 VanDerWaalsContact CA-OD1 3.29Å; N226-N257 WeakPolarHBondContact CA-OD1 3.23Å; N226-N257 WeakPolarHBondContact CB-OD1 3.19Å; N226-N257 PolarHBondContact N-OD1 2.77Å; N226-N257 PolarHBondContact O-OD1 2.81Å
227	N	98.4	Very high	96.5	Very high	77 Å²	77	42.8 Å²	42.8	41%	0.412	22%	0.221	S	C	.	.			trans	-108	31.9	177.2	-165.5	41.7	0	0	0	112.1	L208 E209 T229	L208-N227 CarbonylContact O-C 3.46Å; L208-N227 VanDerWaalsContact O-CA 3.22Å; L208-N227 WeakPolarHBondContact O-CA 3.33Å; L208-N227 PolarHBondContact O-N 3.22Å; E209-N227 WeakPolarHBondContact CA-O 3.34Å; N227-T229 PolarHBondContact O-N 3.29Å
228	I	98.3	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.			trans	-69.9	119.5	-176	-60.5	165.5	0	0	0	109	L208 E209 V211 L223 N226 E230 M254 N257 P258 V259	L208-I228 HydrophobicContact CB-CG1 4.43Å; L208-I228 WeakPolarHBondContact O-CG1 3.32Å; L208-I228 PolarHBondContact O-N 3.03Å; L208-I228 VanDerWaalsContact O-N 3.07Å; E209-I228 WeakPolarHBondContact O-CA 3.49Å; V211-I228 HydrophobicContact CG2-CD1 4.03Å; V211-I228 HydrophobicContact CG2-CG2 4.14Å; L223-I228 HydrophobicContact CB-CD1 4.12Å; L223-I228 HydrophobicContact CD1-CD1 4.46Å; L223-I228 HydrophobicContact CD2-CD1 4.49Å; N226-I228 HydrophobicContact CB-CD1 4.21Å; N226-I228 HydrophobicContact CB-CG1 4.11Å; I228-E230 WeakPolarHBondContact CG2-O 3.43Å; I228-M254 HydrophobicContact CD1-CE 4Å; I228-M254 HydrophobicContact CG2-CE 4.11Å; I228-N257 HydrophobicContact CB-CB 4.15Å; I228-N257 VanDerWaalsContact CB-OD1 3.24Å; I228-N257 WeakPolarHBondContact CB-OD1 3.24Å; I228-N257 WeakPolarHBondContact CG1-OD1 3.29Å; I228-N257 PolarHBondContact N-OD1 2.55Å; I228-P258 VanDerWaalsContact O-CD 3.27Å; I228-P258 WeakPolarHBondContact O-CD 3.06Å; I228-V259 HydrophobicContact CG2-CB 4.46Å; I228-V259 HydrophobicContact CG2-CG1 4.21Å; I228-V259 WeakPolarHBondContact O-CB 3.04Å; I228-V259 PolarHBondContact O-N 3.11Å
229	T	96.8	Very high	95.7	Very high	77 Å²	77	48.9 Å²	48.9	47%	0.472	25%	0.253	S	S	.	.			trans	-100.7	-26.7	-174.6	54	0	0	0	0	113.4	E209 N227 P258	E209-T229 PolarHBondContact O-N 3.11Å; N227-T229 PolarHBondContact O-N 3.29Å; T229-P258 HydrophobicContact CG2-CB 4.27Å; T229-P258 HydrophobicContact CG2-CG 4.43Å
230	E	93.9	Very high	95.4	Very high	121 Å²	121	48.3 Å²	48.3	57%	0.565	26%	0.261	S	S	*	.			trans	-146.1	158.5	-177.4	62.1	-179.3	-153.2	0	0	112.2	I228	I228-E230 WeakPolarHBondContact CG2-O 3.43Å
231	V	95.8	Very high	95	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.048	27%	0.269	C	S	.	.			trans	-133.1	162	166.8	-64	0	0	0	0	107.8	V211 T235 M254 V259 Y264 F268	V211-V231 HydrophobicContact CG2-CG1 4.06Å; V231-T235 HydrophobicContact CB-CG2 4.25Å; V231-T235 HydrophobicContact CG1-CG2 4.2Å; V231-M254 HydrophobicContact CG1-CE 3.99Å; V231-V259 HydrophobicContact CG1-CG2 4.47Å; V231-V259 HydrophobicContact CG2-CG2 4.49Å; V231-Y264 HydrophobicContact CG2-CD1 4.34Å; V231-Y264 HydrophobicContact CG2-CD2 3.54Å; V231-Y264 HydrophobicContact CG2-CE2 4.3Å; V231-Y264 HydrophobicContact CG2-CG 3.55Å; V231-Y264 WeakPolarHBondContact O-CD1 3.44Å; V231-Y264 VanDerWaalsContact O-CE1 3.22Å; V231-Y264 WeakPolarHBondContact O-CE1 3.45Å; V231-F268 HydrophobicContact CG2-CZ 3.98Å
232	N	94.1	Very high	94.4	Very high	91 Å²	91	55 Å²	55	49%	0.487	31%	0.305	S	S	.	.			trans	-129.9	171.7	179.2	64.2	37.4	0	0	0	111.3	D234 T235 S267	N232-D234 PolarHBondContact O-N 2.69Å; N232-D234 VanDerWaalsContact O-N 3.14Å; N232-D234 PolarHBondContact OD1-N 3.43Å; N232-D234 VanDerWaalsContact OD1-N 3.11Å; N232-T235 VanDerWaalsContact CG-OG1 3.31Å; N232-T235 PolarHBondContact N-OG1 2.71Å; N232-T235 VanDerWaalsContact O-CB 3.28Å; N232-T235 WeakPolarHBondContact O-CB 3.14Å; N232-T235 PolarHBondContact O-N 3.25Å; N232-T235 PolarHBondContact O-OG1 3.17Å; N232-T235 VanDerWaalsContact O-OG1 3.08Å; N232-T235 PolarHBondContact OD1-N 2.85Å; N232-T235 PolarHBondContact OD1-OG1 3.31Å; N232-S267 WeakPolarHBondContact O-CB 3.48Å; N232-S267 PolarHBondContact O-OG 2.73Å
233	V	92.1	Very high	93.9	Very high	60 Å²	60	63.1 Å²	63.1	36%	0.364	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.1	-176.4	64.1	0	0	0	0	112.9	C237 D266	V233-C237 WeakPolarHBondContact O-CB 3.4Å; V233-D266 HydrophobicContact CG2-CB 4.3Å
234	D	92.4	Very high	93.7	Very high	86 Å²	86	64.5 Å²	64.5	46%	0.46	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.6	-179.3	-63.7	-49.6	0	0	0	114	N232 C237 S239	N232-D234 PolarHBondContact O-N 2.69Å; N232-D234 VanDerWaalsContact O-N 3.14Å; N232-D234 PolarHBondContact OD1-N 3.43Å; N232-D234 VanDerWaalsContact OD1-N 3.11Å; D234-C237 CarbonylContact C-O 3.43Å; D234-C237 VanDerWaalsContact CA-O 3.29Å; D234-C237 WeakPolarHBondContact CA-O 3.14Å; D234-S239 VanDerWaalsContact CG-OG 3.31Å; D234-S239 WeakPolarHBondContact OD1-CB 3.44Å; D234-S239 PolarHBondContact OD1-N 3.42Å; D234-S239 PolarHBondContact OD1-OG 2.88Å; D234-S239 PolarHBondContact OD2-OG 3.38Å
235	T	93.7	Very high	93.4	Very high	22 Å²	22	69 Å²	69	14%	0.135	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-45.1	-176.9	-63.6	0	0	0	0	111.2	V211 V231 N232	V211-T235 HydrophobicContact CB-CG2 3.65Å; V211-T235 HydrophobicContact CG1-CG2 3.72Å; V211-T235 HydrophobicContact CG2-CG2 3.87Å; V231-T235 HydrophobicContact CB-CG2 4.25Å; V231-T235 HydrophobicContact CG1-CG2 4.2Å; N232-T235 VanDerWaalsContact CG-OG1 3.31Å; N232-T235 PolarHBondContact N-OG1 2.71Å; N232-T235 VanDerWaalsContact O-CB 3.28Å; N232-T235 WeakPolarHBondContact O-CB 3.14Å; N232-T235 PolarHBondContact O-N 3.25Å; N232-T235 PolarHBondContact O-OG1 3.17Å; N232-T235 VanDerWaalsContact O-OG1 3.08Å; N232-T235 PolarHBondContact OD1-N 2.85Å; N232-T235 PolarHBondContact OD1-OG1 3.31Å
236	F	94.3	Very high	93.3	Very high	1 Å²	1	66.1 Å²	66.1	0%	0.004	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-30	176	-59.2	-69.7	0	0	0	112.9	V211 L221 R246 L249 V252 M254 F268 M271	V211-F236 HydrophobicContact CG1-CE1 4.36Å; V211-F236 HydrophobicContact CG1-CZ 4.25Å; V211-F236 HydrophobicContact CG2-CZ 4.48Å; L221-F236 HydrophobicContact CD2-CE1 3.65Å; L221-F236 HydrophobicContact CD2-CZ 4.42Å; F236-R246 VanDerWaalsContact O-CD 3.22Å; F236-R246 WeakPolarHBondContact O-CD 3.49Å; F236-R246 PolarHBondContact O-NH1 3.24Å; F236-L249 HydrophobicContact CD1-CD1 4.04Å; F236-V252 HydrophobicContact CE1-CG1 4.34Å; F236-V252 HydrophobicContact CZ-CG1 4.19Å; F236-M254 HydrophobicContact CE2-SD 3.95Å; F236-M254 HydrophobicContact CZ-SD 3.8Å; F236-F268 AromaticContact CD2-CD1 3.85Å; F236-F268 HydrophobicContact CD2-CD1 3.85Å; F236-F268 AromaticContact CD2-CE1 3.63Å; F236-F268 HydrophobicContact CD2-CE1 3.63Å; F236-F268 HydrophobicContact CE2-CD1 4.31Å; F236-F268 AromaticContact CE2-CE1 3.68Å; F236-F268 HydrophobicContact CE2-CE1 3.68Å; F236-M271 HydrophobicContact CB-CG 4.49Å; F236-M271 HydrophobicContact CB-SD 3.75Å; F236-M271 HydrophobicContact CD1-SD 4.4Å; F236-M271 HydrophobicContact CG-SD 3.98Å
237	C	93.6	Very high	92.9	Very high	9 Å²	9	71.2 Å²	71.2	6%	0.061	38%	0.376	C	S	.	.	S	Bend	trans	-101.9	-179	-178.9	-57.6	0	0	0	0	111.9	V233 D234 S267 C270	V233-C237 WeakPolarHBondContact O-CB 3.4Å; D234-C237 CarbonylContact C-O 3.43Å; D234-C237 VanDerWaalsContact CA-O 3.29Å; D234-C237 WeakPolarHBondContact CA-O 3.14Å; C237-S267 PolarHBondContact SG-O 2.88Å; C237-C270 WeakPolarHBondContact CA-SG 3.03Å; C237-C270 HydrophobicContact CB-CB 3.79Å; C237-C270 WeakPolarHBondContact CB-SG 3.22Å; C237-C270 WeakPolarHBondContact SG-CB 3.45Å; C237-C270 PolarHBondContact SG-N 3.19Å; C237-C270 CovalentContact SG-SG 2.04Å; C237-C270 PolarHBondContact SG-SG 2.88Å
238	K	90.8	Very high	92.7	Very high	83 Å²	83	69.4 Å²	69.4	36%	0.361	37%	0.37	S	S	.	.			trans	-122.8	112.1	175.1	-66.2	-176.4	-179.3	164.4	0	109.1	E216 D240 N241 Y244	E216-K238 WeakPolarHBondContact OE1-CE 3.38Å; E216-K238 IonicContact OE1-NZ 2.7Å; E216-K238 PolarHBondContact OE1-NZ 2.98Å; K238-D240 WeakPolarHBondContact CB-OD1 3.36Å; K238-D240 PolarHBondContact O-N 2.96Å; K238-N241 PolarHBondContact O-N 3.49Å; K238-Y244 HydrophobicContact CB-CD1 4.02Å; K238-Y244 HydrophobicContact CB-CG 4.14Å; K238-Y244 HydrophobicContact CD-CD1 4.41Å; K238-Y244 HydrophobicContact CD-CD2 3.98Å; K238-Y244 HydrophobicContact CD-CE1 4.46Å; K238-Y244 HydrophobicContact CD-CE2 4.03Å; K238-Y244 HydrophobicContact CD-CG 4.17Å; K238-Y244 HydrophobicContact CG-CD1 3.98Å; K238-Y244 HydrophobicContact CG-CD2 4.43Å; K238-Y244 HydrophobicContact CG-CE1 4.02Å; K238-Y244 HydrophobicContact CG-CE2 4.47Å; K238-Y244 HydrophobicContact CG-CG 4.19Å
239	S	87.6	Confident	92.6	Very high	74 Å²	74	69.5 Å²	69.5	52%	0.517	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.5	-179.7	56.9	0	0	0	0	113.3	D234 N241	D234-S239 VanDerWaalsContact CG-OG 3.31Å; D234-S239 WeakPolarHBondContact OD1-CB 3.44Å; D234-S239 PolarHBondContact OD1-N 3.42Å; D234-S239 PolarHBondContact OD1-OG 2.88Å; D234-S239 PolarHBondContact OD2-OG 3.38Å; S239-N241 VanDerWaalsContact C-N 3.28Å; S239-N241 PolarHBondContact O-N 2.87Å
240	D	91.4	Very high	92.6	Very high	140 Å²	140	69.1 Å²	69.1	75%	0.749	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.5	178	69.7	-7.6	0	0	0	114	K238	K238-D240 WeakPolarHBondContact CB-OD1 3.36Å; K238-D240 PolarHBondContact O-N 2.96Å
241	N	90.7	Very high	92.7	Very high	70 Å²	70	67 Å²	67	37%	0.374	36%	0.361	S	S	.	.			trans	-139.2	98.1	-177.5	-176.4	-2.9	0	0	0	111.9	K238 S239 Y243 Y244	K238-N241 PolarHBondContact O-N 3.49Å; S239-N241 VanDerWaalsContact C-N 3.28Å; S239-N241 PolarHBondContact O-N 2.87Å; N241-Y243 PolarHBondContact O-N 2.9Å; N241-Y243 VanDerWaalsContact O-N 3.11Å; N241-Y243 PolarHBondContact OD1-N 2.83Å; N241-Y244 WeakPolarHBondContact O-CB 3.38Å; N241-Y244 PolarHBondContact O-N 2.87Å; N241-Y244 PolarHBondContact OD1-N 3.28Å
242	S	84.6	Confident	92.8	Very high	109 Å²	109	66.8 Å²	66.8	76%	0.762	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.7	178	58.3	0	0	0	0	114.8
243	Y	89.8	Confident	93	Very high	200 Å²	200	66.5 Å²	66.5	78%	0.784	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	2.7	177.5	-58.1	-77.8	0	0	0	112.7	N241 L245	N241-Y243 PolarHBondContact O-N 2.9Å; N241-Y243 VanDerWaalsContact O-N 3.11Å; N241-Y243 PolarHBondContact OD1-N 2.83Å; Y243-L245 PolarHBondContact O-N 2.91Å
244	Y	93.2	Very high	93.3	Very high	29 Å²	29	63.8 Å²	63.8	11%	0.114	34%	0.335	C	S	.	.			trans	-66.4	122	179	174.4	-105.7	0	0	0	110.3	E216 K238 N241 R246 C270	E216-Y244 PolarHBondContact OE1-OH 2.66Å; E216-Y244 VanDerWaalsContact OE1-OH 3.11Å; E216-Y244 PolarHBondContact OE2-OH 2.87Å; K238-Y244 HydrophobicContact CB-CD1 4.02Å; K238-Y244 HydrophobicContact CB-CG 4.14Å; K238-Y244 HydrophobicContact CD-CD1 4.41Å; K238-Y244 HydrophobicContact CD-CD2 3.98Å; K238-Y244 HydrophobicContact CD-CE1 4.46Å; K238-Y244 HydrophobicContact CD-CE2 4.03Å; K238-Y244 HydrophobicContact CD-CG 4.17Å; K238-Y244 HydrophobicContact CG-CD1 3.98Å; K238-Y244 HydrophobicContact CG-CD2 4.43Å; K238-Y244 HydrophobicContact CG-CE1 4.02Å; K238-Y244 HydrophobicContact CG-CE2 4.47Å; K238-Y244 HydrophobicContact CG-CG 4.19Å; N241-Y244 WeakPolarHBondContact O-CB 3.38Å; N241-Y244 PolarHBondContact O-N 2.87Å; N241-Y244 PolarHBondContact OD1-N 3.28Å; Y244-R246 HydrophobicContact CE1-CB 3.83Å; Y244-R246 HydrophobicContact CE1-CG 4.45Å; Y244-R246 VanDerWaalsContact OH-CD 3.31Å; Y244-R246 WeakPolarHBondContact OH-CD 3.38Å; Y244-R246 VanDerWaalsContact OH-CG 3.32Å; Y244-R246 WeakPolarHBondContact OH-CG 3.28Å; Y244-C270 HydrophobicContact CD1-CB 3.8Å; Y244-C270 HydrophobicContact CE1-CB 4.17Å; Y244-C270 WeakPolarHBondContact O-CB 3.38Å
245	L	93.5	Very high	93.6	Very high	112 Å²	112	61.5 Å²	61.5	59%	0.586	32%	0.323	S	S	*	.			trans	-116.8	125	173	-64.6	178.2	0	0	0	109.3	Y243 L247 C270	Y243-L245 PolarHBondContact O-N 2.91Å; L245-L247 HydrophobicContact CB-CD2 4.17Å; L245-L247 HydrophobicContact CB-CG 4.16Å; L245-L247 PolarHBondContact O-N 2.99Å; L245-C270 CarbonylContact C-O 3.6Å; L245-C270 WeakPolarHBondContact CA-O 3.44Å
246	R	94.7	Very high	93.8	Very high	9 Å²	9	63 Å²	63	3%	0.034	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-98.5	73.6	178.3	-163.7	172.1	-177	167.1	1.7	110.5	I214 P215 F236 Y244 S248 L249 C270	I214-R246 PolarHBondContact O-NH2 2.04Å; P215-R246 PolarHBondContact O-NH2 3.04Å; F236-R246 VanDerWaalsContact O-CD 3.22Å; F236-R246 WeakPolarHBondContact O-CD 3.49Å; F236-R246 PolarHBondContact O-NH1 3.24Å; Y244-R246 HydrophobicContact CE1-CB 3.83Å; Y244-R246 HydrophobicContact CE1-CG 4.45Å; Y244-R246 VanDerWaalsContact OH-CD 3.31Å; Y244-R246 WeakPolarHBondContact OH-CD 3.38Å; Y244-R246 VanDerWaalsContact OH-CG 3.32Å; Y244-R246 WeakPolarHBondContact OH-CG 3.28Å; R246-S248 VanDerWaalsContact C-N 3.3Å; R246-S248 PolarHBondContact O-N 2.87Å; R246-L249 HydrophobicContact CG-CB 4.23Å; R246-C270 PolarHBondContact N-O 3.3Å
247	L	92.2	Very high	94	Very high	117 Å²	117	63.4 Å²	63.4	61%	0.613	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.6	-175.6	-57.9	-179.8	0	0	0	113.9	L245 L249 K272	L245-L247 HydrophobicContact CB-CD2 4.17Å; L245-L247 HydrophobicContact CB-CG 4.16Å; L245-L247 PolarHBondContact O-N 2.99Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-K272 HydrophobicContact CD2-CB 4.5Å
248	S	93.9	Very high	94.2	Very high	39 Å²	39	66 Å²	66	27%	0.273	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.7	179	47	0	0	0	0	112	E216 R219 R246 S250	E216-S248 WeakPolarHBondContact O-CB 3.29Å; E216-S248 PolarHBondContact O-OG 3.18Å; R219-S248 VanDerWaalsContact CA-O 3.23Å; R219-S248 WeakPolarHBondContact CA-O 3.28Å; R219-S248 WeakPolarHBondContact CB-O 3.45Å; R219-S248 WeakPolarHBondContact CG-O 3.03Å; R246-S248 VanDerWaalsContact C-N 3.3Å; R246-S248 PolarHBondContact O-N 2.87Å; S248-S250 PolarHBondContact O-N 3.45Å; S248-S250 VanDerWaalsContact O-N 3.1Å
249	L	95.9	Very high	94.5	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.016	35%	0.346	C	S	.	.			trans	-75.3	99.7	-175.1	-127.7	176.9	0	0	0	110.2	L221 F236 R246 L247 E251 V252 M271	L221-L249 HydrophobicContact CB-CD2 4.3Å; F236-L249 HydrophobicContact CD1-CD1 4.04Å; R246-L249 HydrophobicContact CG-CB 4.23Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L249-E251 WeakPolarHBondContact CD2-O 3.49Å; L249-V252 HydrophobicContact CD1-CG2 4.05Å; L249-V252 HydrophobicContact CD2-CG2 3.26Å; L249-V252 HydrophobicContact CG-CG2 4.24Å; L249-M271 HydrophobicContact CD1-SD 4.28Å
250	S	95.5	Very high	95	Very high	68 Å²	68	59.9 Å²	59.9	48%	0.476	33%	0.328	S	S	.	.			trans	-95.5	-27.1	-176	54.8	0	0	0	0	113.3	R219 S248	R219-S250 PolarHBondContact O-N 2.81Å; R219-S250 PolarHBondContact O-OG 2.83Å; S248-S250 PolarHBondContact O-N 3.45Å; S248-S250 VanDerWaalsContact O-N 3.1Å
251	E	97.6	Very high	95.2	Very high	77 Å²	77	53.2 Å²	53.2	36%	0.36	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	121.8	-178.3	-171.9	-179.3	143.8	0	0	110.7	R219 I220 L221 H222 L249	R219-E251 PolarHBondContact O-N 3.19Å; I220-E251 HydrophobicContact CG1-CB 4.43Å; I220-E251 HydrophobicContact CG2-CB 4.45Å; L221-E251 PolarHBondContact N-O 3.11Å; H222-E251 IonicContact CD2-OE1 3.78Å; H222-E251 IonicContact CE1-OE1 3.61Å; H222-E251 IonicContact NE2-OE1 2.73Å; H222-E251 PolarHBondContact NE2-OE1 3.01Å; L249-E251 WeakPolarHBondContact CD2-O 3.49Å
252	V	97.8	Very high	95.4	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.6	171.2	-168.6	0	0	0	0	108.9	L221 F236 L249 M254 M271 P275 V276	L221-V252 HydrophobicContact CD2-CG1 4.25Å; L221-V252 WeakPolarHBondContact O-CA 3.36Å; F236-V252 HydrophobicContact CE1-CG1 4.34Å; F236-V252 HydrophobicContact CZ-CG1 4.19Å; L249-V252 HydrophobicContact CD1-CG2 4.05Å; L249-V252 HydrophobicContact CD2-CG2 3.26Å; L249-V252 HydrophobicContact CG-CG2 4.24Å; V252-M254 HydrophobicContact CG1-CG 3.9Å; V252-M254 HydrophobicContact CG1-SD 4.36Å; V252-M271 HydrophobicContact CG2-SD 4.39Å; V252-P275 HydrophobicContact CB-CB 3.82Å; V252-P275 HydrophobicContact CB-CG 4.06Å; V252-P275 HydrophobicContact CG1-CB 3.83Å; V252-P275 HydrophobicContact CG1-CG 4.08Å; V252-P275 HydrophobicContact CG2-CG 4.46Å; V252-P275 WeakPolarHBondContact O-CA 3.35Å; V252-V276 PolarHBondContact O-N 2.8Å
253	R	98.4	Very high	96	Very high	84 Å²	84	55 Å²	55	32%	0.317	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.1	171.2	-67.1	-165.8	66.2	164.3	-2.8	110.5	L221 L223 Q224 D255 V276	L221-R253 PolarHBondContact O-N 3.17Å; L223-R253 CarbonylContact C-O 3.14Å; L223-R253 WeakPolarHBondContact CA-O 3.04Å; L223-R253 WeakPolarHBondContact CB-O 3.27Å; L223-R253 PolarHBondContact N-O 3.46Å; Q224-R253 HydrophobicContact CB-CB 4.41Å; Q224-R253 PolarHBondContact N-O 3.36Å; R253-D255 IonicContact CZ-OD1 3.81Å; R253-D255 IonicContact CZ-OD2 3.73Å; R253-D255 IonicContact NE-OD1 3.17Å; R253-D255 PolarHBondContact NE-OD1 3Å; R253-D255 IonicContact NE-OD2 3.85Å; R253-D255 IonicContact NH2-OD1 3.55Å; R253-D255 IonicContact NH2-OD2 2.77Å; R253-D255 PolarHBondContact NH2-OD2 3.32Å; R253-V276 HydrophobicContact CG-CB 4.49Å
254	M	97.9	Very high	96.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	27%	0.267	C	S	.	.			trans	-132.3	12.1	177	-60.1	-167.2	75.3	0	0	111.9	V211 L223 I228 V231 F236 V252 N257 V259 L261 P275 V276	V211-M254 HydrophobicContact CG2-CE 3.53Å; L223-M254 HydrophobicContact CB-CG 4.48Å; I228-M254 HydrophobicContact CD1-CE 4Å; I228-M254 HydrophobicContact CG2-CE 4.11Å; V231-M254 HydrophobicContact CG1-CE 3.99Å; F236-M254 HydrophobicContact CE2-SD 3.95Å; F236-M254 HydrophobicContact CZ-SD 3.8Å; V252-M254 HydrophobicContact CG1-CG 3.9Å; V252-M254 HydrophobicContact CG1-SD 4.36Å; M254-N257 WeakPolarHBondContact O-CB 3.31Å; M254-N257 PolarHBondContact O-N 3.26Å; M254-N257 PolarHBondContact O-ND2 3.15Å; M254-V259 HydrophobicContact CE-CG1 4.4Å; M254-L261 HydrophobicContact SD-CD2 4.12Å; M254-P275 HydrophobicContact CG-CB 4.35Å; M254-P275 HydrophobicContact SD-CB 4.47Å; M254-V276 CarbonylContact C-O 3.59Å; M254-V276 WeakPolarHBondContact CA-O 3.13Å; M254-V276 PolarHBondContact N-O 3.47Å
255	D	98	Very high	96.2	Very high	38 Å²	38	51.2 Å²	51.2	20%	0.203	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	155.4	173.5	48.7	-60.9	0	0	0	112.1	Q224 D225 R253 N257 V276	Q224-D255 CarbonylContact C-O 3.57Å; Q224-D255 WeakPolarHBondContact CA-O 3.32Å; Q224-D255 WeakPolarHBondContact CB-O 3.22Å; Q224-D255 WeakPolarHBondContact CB-OD1 3.36Å; D225-D255 PolarHBondContact N-O 2.77Å; R253-D255 IonicContact CZ-OD1 3.81Å; R253-D255 IonicContact CZ-OD2 3.73Å; R253-D255 IonicContact NE-OD1 3.17Å; R253-D255 PolarHBondContact NE-OD1 3Å; R253-D255 IonicContact NE-OD2 3.85Å; R253-D255 IonicContact NH2-OD1 3.55Å; R253-D255 IonicContact NH2-OD2 2.77Å; R253-D255 PolarHBondContact NH2-OD2 3.32Å; D255-N257 PolarHBondContact O-N 3.48Å; D255-N257 VanDerWaalsContact O-N 3.15Å; D255-N257 PolarHBondContact O-ND2 3.48Å; D255-V276 PolarHBondContact N-O 3.47Å; D255-V276 VanDerWaalsContact N-O 3.12Å
256	G	97.8	Very high	96.2	Very high	54 Å²	54	50.8 Å²	50.8	56%	0.557	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	0.3	-176.6	0	0	0	0	0	115.9
257	N	98.4	Very high	96.1	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.053	28%	0.284	C	S	.	.	S	Bend	trans	-91.2	151.3	172.6	-72.1	-85.4	0	0	0	112.6	L223 N226 I228 M254 D255 V259	L223-N257 PolarHBondContact O-ND2 3.34Å; N226-N257 VanDerWaalsContact CA-OD1 3.29Å; N226-N257 WeakPolarHBondContact CA-OD1 3.23Å; N226-N257 WeakPolarHBondContact CB-OD1 3.19Å; N226-N257 PolarHBondContact N-OD1 2.77Å; N226-N257 PolarHBondContact O-OD1 2.81Å; I228-N257 HydrophobicContact CB-CB 4.15Å; I228-N257 VanDerWaalsContact CB-OD1 3.24Å; I228-N257 WeakPolarHBondContact CB-OD1 3.24Å; I228-N257 WeakPolarHBondContact CG1-OD1 3.29Å; I228-N257 PolarHBondContact N-OD1 2.55Å; M254-N257 WeakPolarHBondContact O-CB 3.31Å; M254-N257 PolarHBondContact O-N 3.26Å; M254-N257 PolarHBondContact O-ND2 3.15Å; D255-N257 PolarHBondContact O-N 3.48Å; D255-N257 VanDerWaalsContact O-N 3.15Å; D255-N257 PolarHBondContact O-ND2 3.48Å; N257-V259 VanDerWaalsContact C-N 3.27Å; N257-V259 HydrophobicContact CB-CG1 3.94Å; N257-V259 PolarHBondContact O-N 3.12Å
258	P	98	Very high	96.2	Very high	64 Å²	64	45.3 Å²	45.3	42%	0.416	26%	0.256	S	S	.	.	S	Bend	trans	-61.7	-27.1	173.6	-24.9	32.5	0	0	0	115.4	I228 T229 V260	I228-P258 VanDerWaalsContact O-CD 3.27Å; I228-P258 WeakPolarHBondContact O-CD 3.06Å; T229-P258 HydrophobicContact CG2-CB 4.27Å; T229-P258 HydrophobicContact CG2-CG 4.43Å; P258-V260 PolarHBondContact O-N 2.99Å
259	V	97.5	Very high	96.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	27%	0.273	C	S	.	.			trans	-58.3	134.5	-176.9	65.1	0	0	0	0	112	I228 V231 M254 N257 L261 Y264	I228-V259 HydrophobicContact CG2-CB 4.46Å; I228-V259 HydrophobicContact CG2-CG1 4.21Å; I228-V259 WeakPolarHBondContact O-CB 3.04Å; I228-V259 PolarHBondContact O-N 3.11Å; V231-V259 HydrophobicContact CG1-CG2 4.47Å; V231-V259 HydrophobicContact CG2-CG2 4.49Å; M254-V259 HydrophobicContact CE-CG1 4.4Å; N257-V259 VanDerWaalsContact C-N 3.27Å; N257-V259 HydrophobicContact CB-CG1 3.94Å; N257-V259 PolarHBondContact O-N 3.12Å; V259-L261 HydrophobicContact CG1-CD2 3.96Å; V259-L261 HydrophobicContact CG2-CD2 4.38Å; V259-Y264 HydrophobicContact CG2-CD2 4.19Å; V259-Y264 HydrophobicContact CG2-CE2 3.88Å
260	V	97.3	Very high	96.2	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.145	27%	0.273	C	S	.	.			trans	-100.6	104.8	172.5	-178.8	0	0	0	0	108.1	P258 S262 K263 R278	P258-V260 PolarHBondContact O-N 2.99Å; V260-S262 VanDerWaalsContact C-N 3.27Å; V260-S262 WeakPolarHBondContact CG1-OG 3.44Å; V260-S262 PolarHBondContact O-N 2.83Å; V260-K263 HydrophobicContact CB-CD 4.32Å; V260-K263 HydrophobicContact CB-CG 4.3Å; V260-K263 HydrophobicContact CG1-CG 4.29Å; V260-K263 WeakPolarHBondContact O-CB 3.44Å; V260-K263 PolarHBondContact O-N 3.16Å; V260-K263 VanDerWaalsContact O-N 3.16Å; V260-R278 CarbonylContact C-O 3.46Å
261	L	96.4	Very high	96.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.8	-30.8	-170.6	-57.8	177.4	0	0	0	112.7	M254 V259 K263 Y264 F268 P275 R278 Y279	M254-L261 HydrophobicContact SD-CD2 4.12Å; V259-L261 HydrophobicContact CG1-CD2 3.96Å; V259-L261 HydrophobicContact CG2-CD2 4.38Å; L261-K263 PolarHBondContact O-N 3.12Å; L261-K263 VanDerWaalsContact O-N 3.12Å; L261-Y264 PolarHBondContact O-N 3.17Å; L261-F268 HydrophobicContact CB-CE2 4.02Å; L261-F268 HydrophobicContact CB-CZ 4.17Å; L261-F268 HydrophobicContact CD2-CE2 4.46Å; L261-F268 HydrophobicContact CD2-CZ 3.75Å; L261-F268 HydrophobicContact CG-CZ 4.44Å; L261-F268 WeakPolarHBondContact O-CE2 3.46Å; L261-P275 HydrophobicContact CD1-CB 4.04Å; L261-R278 PolarHBondContact N-O 3.28Å; L261-Y279 HydrophobicContact CB-CD1 4.01Å; L261-Y279 HydrophobicContact CB-CE1 3.73Å; L261-Y279 HydrophobicContact CD1-CE1 4.33Å; L261-Y279 HydrophobicContact CD1-CE2 3.88Å
262	S	95.6	Very high	95.9	Very high	63 Å²	63	50.6 Å²	50.6	44%	0.441	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-64.4	-15.7	178.2	58.1	0	0	0	0	114.3	V260 Y264 Y279	V260-S262 VanDerWaalsContact C-N 3.27Å; V260-S262 WeakPolarHBondContact CG1-OG 3.44Å; V260-S262 PolarHBondContact O-N 2.83Å; S262-Y264 VanDerWaalsContact C-N 3.26Å; S262-Y279 VanDerWaalsContact CB-O 3.27Å; S262-Y279 WeakPolarHBondContact CB-O 3.18Å; S262-Y279 PolarHBondContact OG-O 2.79Å
263	K	96.3	Very high	95.6	Very high	154 Å²	154	53.7 Å²	53.7	67%	0.67	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-76	-14.4	172.8	-65.8	-174.1	176.4	-177.7	0	113.3	V260 L261 P265	V260-K263 HydrophobicContact CB-CD 4.32Å; V260-K263 HydrophobicContact CB-CG 4.3Å; V260-K263 HydrophobicContact CG1-CG 4.29Å; V260-K263 WeakPolarHBondContact O-CB 3.44Å; V260-K263 PolarHBondContact O-N 3.16Å; V260-K263 VanDerWaalsContact O-N 3.16Å; L261-K263 PolarHBondContact O-N 3.12Å; L261-K263 VanDerWaalsContact O-N 3.12Å; K263-P265 VanDerWaalsContact C-CD 3.42Å
264	Y	95.3	Very high	95.4	Very high	69 Å²	69	55 Å²	55	27%	0.271	31%	0.305	S	S	.	.			trans	-128.8	55.5	-173.4	-52.6	-78.4	0	0	0	112	V231 V259 L261 S262 D266 S267 F268	V231-Y264 HydrophobicContact CG2-CD1 4.34Å; V231-Y264 HydrophobicContact CG2-CD2 3.54Å; V231-Y264 HydrophobicContact CG2-CE2 4.3Å; V231-Y264 HydrophobicContact CG2-CG 3.55Å; V231-Y264 WeakPolarHBondContact O-CD1 3.44Å; V231-Y264 VanDerWaalsContact O-CE1 3.22Å; V231-Y264 WeakPolarHBondContact O-CE1 3.45Å; V259-Y264 HydrophobicContact CG2-CD2 4.19Å; V259-Y264 HydrophobicContact CG2-CE2 3.88Å; L261-Y264 PolarHBondContact O-N 3.17Å; S262-Y264 VanDerWaalsContact C-N 3.26Å; Y264-D266 VanDerWaalsContact C-N 3.25Å; Y264-D266 PolarHBondContact O-N 3.26Å; Y264-S267 WeakPolarHBondContact O-CB 3.46Å; Y264-S267 PolarHBondContact O-N 3.27Å; Y264-F268 WeakPolarHBondContact O-CD2 3.11Å; Y264-F268 WeakPolarHBondContact O-CE2 3.2Å
265	P	92.9	Very high	95.4	Very high	80 Å²	80	55 Å²	55	52%	0.519	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-59.6	-36.4	-175.4	25.6	-34.4	0	0	0	112.8	K263 S267 F268	K263-P265 VanDerWaalsContact C-CD 3.42Å; P265-S267 PolarHBondContact O-N 3.15Å; P265-F268 PolarHBondContact O-N 3.26Å; P265-F268 VanDerWaalsContact O-N 3.15Å
266	D	92.3	Very high	95.4	Very high	103 Å²	103	57 Å²	57	55%	0.551	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-64.3	-28.8	-176.3	-60.8	-30.5	0	0	0	113	V233 Y264 F268 T269	V233-D266 HydrophobicContact CG2-CB 4.3Å; Y264-D266 VanDerWaalsContact C-N 3.25Å; Y264-D266 PolarHBondContact O-N 3.26Å; D266-F268 PolarHBondContact O-N 2.96Å; D266-F268 VanDerWaalsContact O-N 3.07Å; D266-T269 PolarHBondContact O-N 3.08Å; D266-T269 PolarHBondContact O-OG1 3.1Å
267	S	94.1	Very high	95.3	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.014	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-62.2	-13.8	176.8	-62.7	0	0	0	0	114.1	N232 C237 Y264 P265	N232-S267 WeakPolarHBondContact O-CB 3.48Å; N232-S267 PolarHBondContact O-OG 2.73Å; C237-S267 PolarHBondContact SG-O 2.88Å; Y264-S267 WeakPolarHBondContact O-CB 3.46Å; Y264-S267 PolarHBondContact O-N 3.27Å; P265-S267 PolarHBondContact O-N 3.15Å
268	F	94.3	Very high	95.2	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.039	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-122	-1.5	-171.5	-48.7	-58.3	0	0	0	114	V231 F236 L261 Y264 P265 D266 C270 M271 L274 P275	V231-F268 HydrophobicContact CG2-CZ 3.98Å; F236-F268 AromaticContact CD2-CD1 3.85Å; F236-F268 HydrophobicContact CD2-CD1 3.85Å; F236-F268 AromaticContact CD2-CE1 3.63Å; F236-F268 HydrophobicContact CD2-CE1 3.63Å; F236-F268 HydrophobicContact CE2-CD1 4.31Å; F236-F268 AromaticContact CE2-CE1 3.68Å; F236-F268 HydrophobicContact CE2-CE1 3.68Å; L261-F268 HydrophobicContact CB-CE2 4.02Å; L261-F268 HydrophobicContact CB-CZ 4.17Å; L261-F268 HydrophobicContact CD2-CE2 4.46Å; L261-F268 HydrophobicContact CD2-CZ 3.75Å; L261-F268 HydrophobicContact CG-CZ 4.44Å; L261-F268 WeakPolarHBondContact O-CE2 3.46Å; Y264-F268 WeakPolarHBondContact O-CD2 3.11Å; Y264-F268 WeakPolarHBondContact O-CE2 3.2Å; P265-F268 PolarHBondContact O-N 3.26Å; P265-F268 VanDerWaalsContact O-N 3.15Å; D266-F268 PolarHBondContact O-N 2.96Å; D266-F268 VanDerWaalsContact O-N 3.07Å; F268-C270 VanDerWaalsContact C-N 3.27Å; F268-C270 PolarHBondContact O-N 3.47Å; F268-M271 HydrophobicContact CB-CE 3.73Å; F268-M271 HydrophobicContact CD1-CE 3.42Å; F268-M271 VanDerWaalsContact CD1-CE 3.42Å; F268-M271 HydrophobicContact CE1-CE 4.45Å; F268-M271 HydrophobicContact CG-CE 3.99Å; F268-M271 PolarHBondContact O-N 3.07Å; F268-M271 VanDerWaalsContact O-N 3.08Å; F268-L274 HydrophobicContact CB-CD2 3.89Å; F268-P275 HydrophobicContact CD1-CG 3.77Å; F268-P275 HydrophobicContact CE1-CG 3.7Å; F268-P275 HydrophobicContact CZ-CG 4.48Å
269	T	93.6	Very high	95	Very high	101 Å²	101	62.1 Å²	62.1	62%	0.62	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.4	-173.5	51.9	0	0	0	0	114.2	D266 M271	D266-T269 PolarHBondContact O-N 3.08Å; D266-T269 PolarHBondContact O-OG1 3.1Å; T269-M271 VanDerWaalsContact C-N 3.29Å; T269-M271 PolarHBondContact O-N 3.26Å
270	C	94.5	Very high	94.6	Very high	4 Å²	4	74.3 Å²	74.3	3%	0.027	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.1	178.2	64.6	0	0	0	0	113.9	C237 Y244 L245 R246 F268	C237-C270 WeakPolarHBondContact CA-SG 3.03Å; C237-C270 HydrophobicContact CB-CB 3.79Å; C237-C270 WeakPolarHBondContact CB-SG 3.22Å; C237-C270 WeakPolarHBondContact SG-CB 3.45Å; C237-C270 PolarHBondContact SG-N 3.19Å; C237-C270 CovalentContact SG-SG 2.04Å; C237-C270 PolarHBondContact SG-SG 2.88Å; Y244-C270 HydrophobicContact CD1-CB 3.8Å; Y244-C270 HydrophobicContact CE1-CB 4.17Å; Y244-C270 WeakPolarHBondContact O-CB 3.38Å; L245-C270 CarbonylContact C-O 3.6Å; L245-C270 WeakPolarHBondContact CA-O 3.44Å; R246-C270 PolarHBondContact N-O 3.3Å; F268-C270 VanDerWaalsContact C-N 3.27Å; F268-C270 PolarHBondContact O-N 3.47Å
271	M	94.3	Very high	94.4	Very high	21 Å²	21	76.9 Å²	76.9	10%	0.103	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-95.9	146.1	-170	-57.9	-165.8	-53.8	0	0	112.1	F236 L249 V252 F268 T269 P275	F236-M271 HydrophobicContact CB-CG 4.49Å; F236-M271 HydrophobicContact CB-SD 3.75Å; F236-M271 HydrophobicContact CD1-SD 4.4Å; F236-M271 HydrophobicContact CG-SD 3.98Å; L249-M271 HydrophobicContact CD1-SD 4.28Å; V252-M271 HydrophobicContact CG2-SD 4.39Å; F268-M271 HydrophobicContact CB-CE 3.73Å; F268-M271 HydrophobicContact CD1-CE 3.42Å; F268-M271 VanDerWaalsContact CD1-CE 3.42Å; F268-M271 HydrophobicContact CE1-CE 4.45Å; F268-M271 HydrophobicContact CG-CE 3.99Å; F268-M271 PolarHBondContact O-N 3.07Å; F268-M271 VanDerWaalsContact O-N 3.08Å; T269-M271 VanDerWaalsContact C-N 3.29Å; T269-M271 PolarHBondContact O-N 3.26Å; M271-P275 HydrophobicContact CE-CG 3.7Å
272	K	92.4	Very high	94.3	Very high	172 Å²	172	80.8 Å²	80.8	75%	0.748	40%	0.397	S	S	*	.	S	Bend	trans	-78.2	-27.6	174.5	-172.8	178.7	177.6	-175.9	0	112.7	L247	L247-K272 HydrophobicContact CD2-CB 4.5Å
273	V	92.6	Very high	94.3	Very high	69 Å²	69	81.8 Å²	81.8	42%	0.418	40%	0.395	S	S	.	.	S	Bend	trans	-126.7	130.9	-177.2	-176.1	0	0	0	0	108.1
274	L	95	Very high	94.1	Very high	110 Å²	110	77.6 Å²	77.6	58%	0.576	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-75.4	147.3	175.7	-69.7	178.5	0	0	0	110.7	F268	F268-L274 HydrophobicContact CB-CD2 3.89Å
275	P	96.8	Very high	94.1	Very high	3 Å²	3	78.1 Å²	78.1	2%	0.019	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.2	142	176.6	-21.3	34.2	0	0	0	112.1	V252 M254 L261 F268 M271 G277 Y279	V252-P275 HydrophobicContact CB-CB 3.82Å; V252-P275 HydrophobicContact CB-CG 4.06Å; V252-P275 HydrophobicContact CG1-CB 3.83Å; V252-P275 HydrophobicContact CG1-CG 4.08Å; V252-P275 HydrophobicContact CG2-CG 4.46Å; V252-P275 WeakPolarHBondContact O-CA 3.35Å; M254-P275 HydrophobicContact CG-CB 4.35Å; M254-P275 HydrophobicContact SD-CB 4.47Å; L261-P275 HydrophobicContact CD1-CB 4.04Å; F268-P275 HydrophobicContact CD1-CG 3.77Å; F268-P275 HydrophobicContact CE1-CG 3.7Å; F268-P275 HydrophobicContact CZ-CG 4.48Å; M271-P275 HydrophobicContact CE-CG 3.7Å; P275-G277 PolarHBondContact O-N 3.06Å; P275-Y279 WeakPolarHBondContact O-CE2 3.35Å; P275-Y279 PolarHBondContact O-OH 2.68Å
276	V	97.9	Very high	94.1	Very high	82 Å²	82	78 Å²	78	50%	0.497	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-71.8	122.9	166.3	-178	0	0	0	0	107.5	V252 R253 M254 D255	V252-V276 PolarHBondContact O-N 2.8Å; R253-V276 HydrophobicContact CG-CB 4.49Å; M254-V276 CarbonylContact C-O 3.59Å; M254-V276 WeakPolarHBondContact CA-O 3.13Å; M254-V276 PolarHBondContact N-O 3.47Å; D255-V276 PolarHBondContact N-O 3.47Å; D255-V276 VanDerWaalsContact N-O 3.12Å
277	G	96.3	Very high	94.3	Very high	24 Å²	24	76.2 Å²	76.2	25%	0.247	36%	0.364	C	S	.	.	S	Bend	trans	173.6	-165.7	-177.1	0	0	0	0	0	113.3	P275 Y279	P275-G277 PolarHBondContact O-N 3.06Å; G277-Y279 WeakPolarHBondContact O-CD2 3.41Å
278	R	95.4	Very high	94.3	Very high	130 Å²	130	81.9 Å²	81.9	49%	0.491	39%	0.391	S	S	.	.			trans	-87.1	121.1	-175.6	-173.9	178	177.1	-172.4	-6.2	111.5	V260 L261 R280	V260-R278 CarbonylContact C-O 3.46Å; L261-R278 PolarHBondContact N-O 3.28Å; R278-R280 WeakPolarHBondContact CG-O 3.27Å; R278-R280 PolarHBondContact NE-O 2.73Å; R278-R280 PolarHBondContact NH2-O 2.67Å; R278-R280 PolarHBondContact NH2-OXT 3.42Å
279	Y	94.8	Very high	94.3	Very high	81 Å²	81	88 Å²	88	32%	0.318	42%	0.42	S	S	.	.			trans	-111	-6.1	176.2	-69.2	-92	0	0	0	113.9	L261 S262 P275 G277	L261-Y279 HydrophobicContact CB-CD1 4.01Å; L261-Y279 HydrophobicContact CB-CE1 3.73Å; L261-Y279 HydrophobicContact CD1-CE1 4.33Å; L261-Y279 HydrophobicContact CD1-CE2 3.88Å; S262-Y279 VanDerWaalsContact CB-O 3.27Å; S262-Y279 WeakPolarHBondContact CB-O 3.18Å; S262-Y279 PolarHBondContact OG-O 2.79Å; P275-Y279 WeakPolarHBondContact O-CE2 3.35Å; P275-Y279 PolarHBondContact O-OH 2.68Å; G277-Y279 WeakPolarHBondContact O-CD2 3.41Å
280	R	88	Confident	94.4	Very high	259 Å²	259	86.8 Å²	86.8	98%	0.977	40%	0.402	S	S	*	.			trans	-144.3	0	177.1	-63.6	-175.9	-179.7	178.2	-0.2	109.2	R278	R278-R280 WeakPolarHBondContact CG-O 3.27Å; R278-R280 PolarHBondContact NE-O 2.73Å; R278-R280 PolarHBondContact NH2-O 2.67Å; R278-R280 PolarHBondContact NH2-OXT 3.42Å

Retrieved 280 of 280 residues in 188.3 ms (Link to these results)

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