A0A061ACY0_CAEEL Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A061ACY0, Species CAEEL (Caenorhabditis elegans), Gene ath-1, Length 304 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	39.2	Very low	32.5	Very low	242 Å²	242	159.9 Å²	159.9	100%	1.192	86%	0.857	S	S	*	*				0	120	0	-105.6	169.7	-174.3	0	0	108.6
2	F	38.2	Very low	32.4	Very low	203 Å²	203	156.6 Å²	156.6	89%	0.89	85%	0.847	S	S	*	*			trans	-7.5	117.3	180	-68.9	-91.2	0	0	0	120.5
3	R	31.3	Very low	32.4	Very low	252 Å²	252	150.8 Å²	150.8	95%	0.951	83%	0.826	S	S	*	*			trans	-88.5	126.6	141.1	-80.2	-178.5	169.8	-160.5	-3	107.3
4	S	34.3	Very low	32.2	Very low	113 Å²	113	156.9 Å²	156.9	79%	0.79	83%	0.831	S	S	*	*			trans	-120.1	136.2	168.1	104.9	0	0	0	0	111.2
5	V	31.1	Very low	32.1	Very low	140 Å²	140	148.9 Å²	148.9	85%	0.848	79%	0.792	S	S	*	*			trans	-75	149.8	179.2	174.4	0	0	0	0	110.2
6	S	32.9	Very low	32.2	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	78%	0.776	S	S	*	*			trans	-139	104.2	162	177.9	0	0	0	0	112.5
7	R	31.7	Very low	32.1	Very low	229 Å²	229	146 Å²	146	86%	0.864	77%	0.771	S	S	*	*			trans	63.2	98.2	133.8	-59.7	179.6	-179	-143.9	-2.2	118.9
8	S	30.6	Very low	32.2	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	76%	0.763	S	S	*	*			trans	-71.2	128.6	143.3	44	0	0	0	0	109.8
9	A	30.9	Very low	32.1	Very low	101 Å²	101	142.5 Å²	142.5	84%	0.835	76%	0.762	S	S	*	*			trans	-83.8	119.1	172.9	0	0	0	0	0	109.3	S11	A9-S11 PolarHBondContact O-N 3Å
10	I	29.6	Very low	32.1	Very low	155 Å²	155	138.3 Å²	138.3	80%	0.795	75%	0.754	S	S	*	*			trans	-80.8	109.6	168.9	-65.6	168.5	0	0	0	106.6	T12	I10-T12 HydrophobicContact CG2-CG2 4.48Å; I10-T12 PolarHBondContact O-N 3.36Å
11	S	28.2	Very low	32	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	75%	0.751	S	S	*	*			trans	-82.3	104	169.7	178.8	0	0	0	0	108.5	A9 S13	A9-S11 PolarHBondContact O-N 3Å; S11-S13 PolarHBondContact O-N 3.35Å
12	T	30.9	Very low	31.7	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	72%	0.719	S	S	*	*			trans	-72.9	99.2	168.9	47.2	0	0	0	0	109.2	I10 R14	I10-T12 HydrophobicContact CG2-CG2 4.48Å; I10-T12 PolarHBondContact O-N 3.36Å; T12-R14 PolarHBondContact O-N 3.27Å
13	S	32.6	Very low	31.2	Very low	82 Å²	82	127.9 Å²	127.9	57%	0.573	72%	0.715	S	S	*	*			trans	-64.7	112	167.6	-74	0	0	0	0	109.5	S11 C15	S11-S13 PolarHBondContact O-N 3.35Å; S13-C15 VanDerWaalsContact C-N 3.3Å; S13-C15 PolarHBondContact O-N 3.2Å; S13-C15 VanDerWaalsContact O-N 3.15Å
14	R	30.1	Very low	31	Very low	236 Å²	236	126.3 Å²	126.3	89%	0.891	71%	0.709	S	S	*	*			trans	-77.2	85.5	161.8	-77.2	-178	171.1	-157.2	-2.5	107.4	T12	T12-R14 PolarHBondContact O-N 3.27Å
15	C	30.2	Very low	30.8	Very low	36 Å²	36	125 Å²	125	24%	0.243	70%	0.696	C	S	.	*			trans	-74.1	137.8	164	-126.3	0	0	0	0	108.3	S13 F17 S286	S13-C15 VanDerWaalsContact C-N 3.3Å; S13-C15 PolarHBondContact O-N 3.2Å; S13-C15 VanDerWaalsContact O-N 3.15Å; C15-F17 PolarHBondContact O-N 2.98Å; C15-S286 PolarHBondContact SG-O 3.08Å; C15-S286 VanDerWaalsContact SG-O 3.37Å
16	V	33.7	Very low	30.7	Very low	88 Å²	88	124 Å²	124	53%	0.533	68%	0.684	S	S	.	*			trans	-61.4	96.7	-173.6	178.2	0	0	0	0	109.7
17	F	30.8	Very low	30.5	Very low	161 Å²	161	125 Å²	125	71%	0.706	69%	0.686	S	S	*	*			trans	-87.7	106.2	163.5	-96.3	-86.8	0	0	0	108.4	C15 S19	C15-F17 PolarHBondContact O-N 2.98Å; F17-S19 PolarHBondContact O-N 3.06Å
18	L	33.4	Very low	30.3	Very low	119 Å²	119	119.9 Å²	119.9	62%	0.623	68%	0.68	S	S	*	*			trans	-85.3	64.9	149.9	-100.6	136.3	0	0	0	108.2	G20	L18-G20 PolarHBondContact O-N 3.05Å
19	S	30.6	Very low	30.3	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	81.4	160.5	55.4	0	0	0	0	107.7	F17	F17-S19 PolarHBondContact O-N 3.06Å
20	G	31.2	Very low	30.2	Very low	58 Å²	58	119.2 Å²	119.2	60%	0.598	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.1	-28.8	-177.4	0	0	0	0	0	116.5	L18	L18-G20 PolarHBondContact O-N 3.05Å
21	L	31.2	Very low	30.2	Very low	131 Å²	131	117.6 Å²	117.6	69%	0.686	67%	0.673	S	S	*	*	S	Bend	trans	-134.1	-2.5	-172.4	-100.6	98.5	0	0	0	118.5	S23 M147	L21-S23 PolarHBondContact O-N 2.89Å; L21-M147 HydrophobicContact CD2-SD 3.89Å
22	F	32.5	Very low	30.3	Very low	120 Å²	120	117.3 Å²	117.3	53%	0.526	67%	0.671	S	S	.	*			trans	-93	67.7	171.3	-80	-80.9	0	0	0	111.7	R24 V25	F22-R24 PolarHBondContact O-N 2.77Å; F22-V25 HydrophobicContact CD1-CG2 4.37Å
23	S	28.3	Very low	30.1	Very low	115 Å²	115	117.3 Å²	117.3	80%	0.804	67%	0.671	S	S	*	*			trans	-76.2	102.6	159.4	-78.8	0	0	0	0	108.7	L21	L21-S23 PolarHBondContact O-N 2.89Å
24	R	26.8	Very low	30	Very low	218 Å²	218	122.3 Å²	122.3	82%	0.823	69%	0.685	S	S	*	*			trans	48.4	80.4	160.5	-67.2	-177.9	171.9	-168.1	-2.5	115.9	F22 I26	F22-R24 PolarHBondContact O-N 2.77Å; R24-I26 HydrophobicContact CB-CG1 4.32Å; R24-I26 PolarHBondContact O-N 3.13Å
25	V	30.3	Very low	29.9	Very low	86 Å²	86	117 Å²	117	52%	0.521	68%	0.68	S	S	.	*			trans	-77.2	95.9	148.8	-179.9	0	0	0	0	106.6	F22 V27	F22-V25 HydrophobicContact CD1-CG2 4.37Å; V25-V27 HydrophobicContact CG1-CG2 4.09Å; V25-V27 PolarHBondContact O-N 3.4Å
26	I	27.5	Very low	30.1	Very low	118 Å²	118	122.5 Å²	122.5	61%	0.605	71%	0.712	S	S	*	*			trans	-78.6	103.1	167.9	-60.5	177.4	0	0	0	106.2	R24 T28	R24-I26 HydrophobicContact CB-CG1 4.32Å; R24-I26 PolarHBondContact O-N 3.13Å; I26-T28 HydrophobicContact CG2-CG2 3.73Å; I26-T28 PolarHBondContact O-N 3.41Å; I26-T28 VanDerWaalsContact O-N 3.13Å
27	V	29.8	Very low	30.1	Very low	124 Å²	124	126.8 Å²	126.8	75%	0.752	73%	0.725	S	S	*	*			trans	-75.1	94.1	164.9	-178.8	0	0	0	0	107.2	V25 S29	V25-V27 HydrophobicContact CG1-CG2 4.09Å; V25-V27 PolarHBondContact O-N 3.4Å; V27-S29 PolarHBondContact O-N 3.4Å
28	T	27.8	Very low	30.2	Very low	120 Å²	120	124 Å²	124	74%	0.736	72%	0.723	S	S	*	*			trans	-81.1	102.9	165.4	46.5	0	0	0	0	108.9	I26 A30	I26-T28 HydrophobicContact CG2-CG2 3.73Å; I26-T28 PolarHBondContact O-N 3.41Å; I26-T28 VanDerWaalsContact O-N 3.13Å; T28-A30 PolarHBondContact O-N 3.09Å
29	S	30.2	Very low	30.3	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	74%	0.738	S	S	*	*			trans	-78.9	108.4	162	49.8	0	0	0	0	108.9	V27 V31	V27-S29 PolarHBondContact O-N 3.4Å; S29-V31 PolarHBondContact O-N 2.62Å
30	A	29.5	Very low	30.6	Very low	102 Å²	102	128 Å²	128	84%	0.843	74%	0.735	S	S	*	*			trans	-78.6	101.9	168.5	0	0	0	0	0	108.8	T28 S32	T28-A30 PolarHBondContact O-N 3.09Å; A30-S32 PolarHBondContact O-N 2.77Å
31	V	29.2	Very low	31	Very low	121 Å²	121	129.4 Å²	129.4	73%	0.733	74%	0.736	S	S	*	*			trans	-82.4	103.9	166.2	178.4	0	0	0	0	107.5	S29 T33	S29-V31 PolarHBondContact O-N 2.62Å; V31-T33 HydrophobicContact CG1-CG2 4.25Å
32	S	29	Very low	31.3	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	74%	0.743	S	S	*	*			trans	-90.1	101.3	167.6	179.6	0	0	0	0	109.2	A30	A30-S32 PolarHBondContact O-N 2.77Å
33	T	27.9	Very low	31.6	Very low	120 Å²	120	130.3 Å²	130.3	74%	0.736	76%	0.756	S	S	*	*			trans	-78.2	112.2	164.3	44.9	0	0	0	0	109.5	V31	V31-T33 HydrophobicContact CG1-CG2 4.25Å
34	Q	30.1	Very low	31.9	Very low	186 Å²	186	130.9 Å²	130.9	87%	0.869	76%	0.755	S	S	*	*			trans	-121.3	109.5	155.6	-81.1	-170.8	0.7	0	0	109.3
35	T	27.9	Very low	32.3	Very low	126 Å²	126	129.7 Å²	129.7	77%	0.773	76%	0.756	S	S	*	*			trans	-102.6	116.9	162.6	39.1	0	0	0	0	107.9
36	V	34.1	Very low	32.7	Very low	151 Å²	151	130 Å²	130	92%	0.915	76%	0.761	S	S	*	*			trans	-153.2	139.9	136.8	-169.2	0	0	0	0	109.6
37	H	34.3	Very low	33.3	Very low	178 Å²	178	129 Å²	129	82%	0.824	77%	0.765	S	S	*	*			trans	-69.7	171.2	-167.4	-90.4	-80.2	0	0	0	118
38	P	31.9	Very low	33.7	Very low	102 Å²	102	128.7 Å²	128.7	66%	0.662	77%	0.768	S	S	*	*			trans	-94.6	158.9	-162.3	37.8	-33.3	0	0	0	113.5
39	F	36.3	Very low	34.2	Very low	211 Å²	211	128.6 Å²	128.6	93%	0.925	77%	0.77	S	S	*	*			trans	-139.5	138.3	157.6	-105.6	-84.7	0	0	0	112
40	S	37.9	Very low	34.6	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	78%	0.78	S	S	*	*			trans	-66.9	176	178.5	75.1	0	0	0	0	111.8
41	S	38.2	Very low	34.8	Very low	86 Å²	86	135.5 Å²	135.5	60%	0.601	78%	0.78	S	S	*	*			cis	-179.2	158.9	10.9	26.2	0	0	0	0	106.9
42	N	37.7	Very low	35.1	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	79%	0.786	S	S	*	*			trans	73.3	136.9	156.8	-59.6	-14.1	0	0	0	116.1
43	S	38.5	Very low	35.2	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	80%	0.795	S	S	*	*			cis	-163.6	155.6	24.9	43.8	0	0	0	0	112.1
44	T	34.4	Very low	35.6	Very low	127 Å²	127	140.5 Å²	140.5	78%	0.779	79%	0.791	S	S	*	*			trans	-59	148.1	176.1	48.4	0	0	0	0	117.9
45	F	36.8	Very low	35.6	Very low	193 Å²	193	136.6 Å²	136.6	85%	0.846	78%	0.784	S	S	*	*				-175.6	120.7	122.4	-136.4	-120	0	0	0	111.1
46	S	37.9	Very low	36.1	Very low	91 Å²	91	138.7 Å²	138.7	64%	0.636	79%	0.789	S	S	*	*				74.8	134.6	109.9	-170.3	0	0	0	0	115.6
47	S	39.7	Very low	36.1	Very low	98 Å²	98	139.1 Å²	139.1	69%	0.685	78%	0.784	S	S	*	*			cis	-168.3	133.5	18	39.3	0	0	0	0	111.6
48	S	39.5	Very low	36.1	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	78%	0.776	S	S	*	*			trans	41.6	156.6	134.4	74	0	0	0	0	125.3
49	P	37.3	Very low	36.3	Very low	119 Å²	119	134.2 Å²	134.2	77%	0.773	78%	0.782	S	S	*	*			trans	-111.5	168.8	-149.3	42	-32.1	0	0	0	114.7
50	K	38.2	Very low	36.1	Very low	209 Å²	209	129.6 Å²	129.6	91%	0.909	78%	0.776	S	S	*	*			trans	-136.2	120.8	165.9	-73.1	-173.3	179.9	175.5	0	113.3
51	T	33.3	Very low	35.9	Very low	138 Å²	138	133 Å²	133	85%	0.847	79%	0.786	S	S	*	*			trans	-63.1	150	162.4	31.6	0	0	0	0	111.9
52	F	36.3	Very low	35.5	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.864	80%	0.796	S	S	*	*			trans	-133.4	112.5	160.7	-144.7	-97.4	0	0	0	109.7	A54	F52-A54 HydrophobicContact CD1-CB 4.24Å; F52-A54 HydrophobicContact CE1-CB 3.93Å
53	L	30.8	Very low	35.5	Very low	173 Å²	173	131.9 Å²	131.9	91%	0.906	79%	0.791	S	S	*	*			trans	-107.6	125.8	164.4	-104.2	157.6	0	0	0	105.7
54	A	37.2	Very low	35.2	Very low	79 Å²	79	137.6 Å²	137.6	65%	0.653	80%	0.795	S	S	*	*			trans	-138.8	112.7	164.9	0	0	0	0	0	108.9	F52	F52-A54 HydrophobicContact CD1-CB 4.24Å; F52-A54 HydrophobicContact CE1-CB 3.93Å
55	S	29.6	Very low	35.1	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	80%	0.8	S	S	*	*			trans	-81.3	139.2	167.3	74.7	0	0	0	0	109.6
56	I	38.2	Very low	35	Very low	171 Å²	171	137.8 Å²	137.8	88%	0.877	80%	0.798	S	S	*	*			trans	-128.8	120.2	155.3	-66.8	-178.8	0	0	0	108.1
57	I	35	Very low	34.6	Very low	159 Å²	159	138.8 Å²	138.8	82%	0.815	80%	0.803	S	S	*	*			trans	-78.1	137.9	171.3	-65.4	163.8	0	0	0	107.8
58	G	33.9	Very low	34.2	Very low	62 Å²	62	139.8 Å²	139.8	64%	0.639	81%	0.81	S	S	*	*			trans	167.5	101.1	165	0	0	0	0	0	116.8
59	S	36.8	Very low	34.1	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	81%	0.809	S	S	*	*			trans	64.2	100.7	147.6	58.3	0	0	0	0	120.7
60	S	30.1	Very low	34.1	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	81%	0.809	S	S	*	*				25.9	105.8	119.1	162.2	0	0	0	0	117.5
61	L	34.9	Very low	34.2	Very low	170 Å²	170	132.1 Å²	132.1	89%	0.89	80%	0.795	S	S	*	*			trans	-157.3	121.3	139.2	-101.9	148.5	0	0	0	109.2	S63	L61-S63 PolarHBondContact O-N 3.37Å
62	S	30	Very low	34.7	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	79%	0.793	S	S	*	*			trans	-57.6	119.8	174.6	-169.5	0	0	0	0	110.2
63	S	37	Very low	35.2	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	77%	0.772	S	S	*	*			trans	-134.5	114.4	160.2	68.7	0	0	0	0	109.3	L61 L65	L61-S63 PolarHBondContact O-N 3.37Å; S63-L65 PolarHBondContact O-N 3.16Å; S63-L65 VanDerWaalsContact O-N 3.14Å
64	R	31.9	Very low	36.2	Very low	234 Å²	234	120.1 Å²	120.1	88%	0.883	75%	0.75	S	S	*	*			trans	-63.7	104.8	165.8	-67.3	173.9	177	-169	-2	106.8	L66	R64-L66 PolarHBondContact O-N 2.78Å
65	L	33.5	Very low	37.4	Very low	169 Å²	169	123.4 Å²	123.4	89%	0.885	76%	0.757	S	S	*	*			trans	-83.1	105.5	166.4	-155.8	73	0	0	0	107.6	S63	S63-L65 PolarHBondContact O-N 3.16Å; S63-L65 VanDerWaalsContact O-N 3.14Å
66	L	33.4	Very low	38.7	Very low	155 Å²	155	126 Å²	126	81%	0.812	76%	0.758	S	S	*	*			trans	-60.2	145.8	175	-85.7	122.9	0	0	0	111.5	R64	R64-L66 PolarHBondContact O-N 2.78Å
67	C	29.5	Very low	39.7	Very low	111 Å²	111	122.3 Å²	122.3	75%	0.75	74%	0.737	S	S	*	*			trans	-43.8	131.7	166.9	-71.9	0	0	0	0	112.5
68	S	31.9	Very low	41	Very low	119 Å²	119	117.4 Å²	117.4	83%	0.832	71%	0.712	S	S	*	*			trans	-119.1	74.5	144.8	-179.5	0	0	0	0	107.2	G70	S68-G70 PolarHBondContact O-N 3.4Å
69	L	38.3	Very low	42.4	Very low	152 Å²	152	118.1 Å²	118.1	80%	0.796	71%	0.707	S	S	*	*			trans	-65.6	109.8	156.9	-72.1	169	0	0	0	105.4	G71	L69-G71 PolarHBondContact O-N 3.42Å
70	G	37	Very low	43.7	Very low	74 Å²	74	116.9 Å²	116.9	76%	0.763	70%	0.695	S	S	*	*			trans	-54.3	115.6	165.6	0	0	0	0	0	107.3	S68	S68-G70 PolarHBondContact O-N 3.4Å
71	G	39.2	Very low	45.6	Very low	59 Å²	59	116.8 Å²	116.8	61%	0.608	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-57	163.6	172.7	0	0	0	0	0	110.6	L69	L69-G71 PolarHBondContact O-N 3.42Å
72	P	43.6	Very low	47.5	Very low	124 Å²	124	109.8 Å²	109.8	81%	0.805	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-52.4	142.5	171.8	24.4	-32.6	0	0	0	109.4	S74	P72-S74 PolarHBondContact O-N 3.13Å
73	P	48.1	Very low	49.7	Very low	66 Å²	66	107.7 Å²	107.7	43%	0.429	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-53.3	139.4	177.1	22.1	-30.8	0	0	0	109.5	E77	P73-E77 HydrophobicContact CB-CB 4.21Å
74	S	51.1	Low	52	Low	65 Å²	65	105.3 Å²	105.3	46%	0.455	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-61.7	152.8	174.3	62.1	0	0	0	0	110.3	P72 E76 E77 D78	P72-S74 PolarHBondContact O-N 3.13Å; S74-E76 PolarHBondContact O-N 2.61Å; S74-E77 PolarHBondContact O-N 3.04Å; S74-D78 PolarHBondContact O-N 3.47Å
75	D	61.8	Low	54.8	Low	149 Å²	149	94.2 Å²	94.2	80%	0.797	57%	0.571	S	S	*	*	H	α-helix	trans	-53.7	-30.9	-179.8	-62.3	-32.6	0	0	0	112.6	S79	D75-S79 VanDerWaalsContact O-CB 3.25Å; D75-S79 WeakPolarHBondContact O-CB 3.23Å; D75-S79 PolarHBondContact O-N 3.35Å
76	E	56.5	Low	57.6	Low	156 Å²	156	87.1 Å²	87.1	73%	0.729	54%	0.535	S	S	*	.	H	α-helix	trans	-70.5	-38.5	176.1	-67.7	-163.4	166.7	0	0	113.4	S74 T80	S74-E76 PolarHBondContact O-N 2.61Å; E76-T80 WeakPolarHBondContact O-CB 3.37Å; E76-T80 PolarHBondContact O-N 3.3Å; E76-T80 PolarHBondContact O-OG1 3.37Å
77	E	60.1	Low	60.2	Low	94 Å²	94	84 Å²	84	44%	0.439	52%	0.52	S	S	.	.	H	α-helix	trans	-67.1	-40.5	175.5	-80.3	-167.6	-158.3	0	0	111.2	P73 S74 T80 R81	P73-E77 HydrophobicContact CB-CB 4.21Å; S74-E77 PolarHBondContact O-N 3.04Å; E77-T80 PolarHBondContact O-N 3Å; E77-R81 WeakPolarHBondContact O-CB 3.4Å; E77-R81 WeakPolarHBondContact O-CG 3.37Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-R81 IonicContact OE2-CZ 3.47Å; E77-R81 IonicContact OE2-NH2 4Å; E77-R81 PolarHBondContact OE2-NH2 3.09Å
78	D	62.2	Low	63.1	Low	56 Å²	56	81.2 Å²	81.2	30%	0.299	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-44.9	178.2	-164.2	32.4	0	0	0	111	S74 T80 R81 M82 Q178	S74-D78 PolarHBondContact O-N 3.47Å; D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 PolarHBondContact O-N 3.45Å; D78-R81 PolarHBondContact O-N 3.48Å; D78-M82 WeakPolarHBondContact O-CB 3.43Å; D78-M82 WeakPolarHBondContact O-CG 3.48Å; D78-M82 PolarHBondContact O-N 2.91Å; D78-Q178 PolarHBondContact OD1-NE2 3.03Å; D78-Q178 PolarHBondContact OD2-NE2 3.33Å
79	S	62.8	Low	66.1	Low	77 Å²	77	82.6 Å²	82.6	54%	0.538	51%	0.507	S	S	.	.	H	α-helix	trans	-52.7	-49.4	171.7	165.4	0	0	0	0	112.6	D75 R81 M82 S83	D75-S79 VanDerWaalsContact O-CB 3.25Å; D75-S79 WeakPolarHBondContact O-CB 3.23Å; D75-S79 PolarHBondContact O-N 3.35Å; S79-R81 PolarHBondContact O-N 3.37Å; S79-M82 PolarHBondContact O-N 3.49Å; S79-S83 PolarHBondContact O-N 2.84Å
80	T	65.4	Low	68.9	Low	90 Å²	90	76.9 Å²	76.9	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-64.4	-43.2	-179.3	-56.4	0	0	0	0	110.8	E76 E77 D78 M82 S83 A84	E76-T80 WeakPolarHBondContact O-CB 3.37Å; E76-T80 PolarHBondContact O-N 3.3Å; E76-T80 PolarHBondContact O-OG1 3.37Å; E77-T80 PolarHBondContact O-N 3Å; D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 PolarHBondContact O-N 3.45Å; T80-M82 VanDerWaalsContact C-N 3.31Å; T80-M82 PolarHBondContact O-N 2.98Å; T80-S83 PolarHBondContact O-N 2.87Å; T80-S83 PolarHBondContact O-OG 2.8Å; T80-A84 PolarHBondContact O-N 2.98Å
81	R	70.2	Confident	71.8	Confident	112 Å²	112	74.1 Å²	74.1	42%	0.423	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-37.9	176.6	-72.4	171.6	-168.5	-168.6	9.9	111.9	E77 D78 S79 A84	E77-R81 WeakPolarHBondContact O-CB 3.4Å; E77-R81 WeakPolarHBondContact O-CG 3.37Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-R81 IonicContact OE2-CZ 3.47Å; E77-R81 IonicContact OE2-NH2 4Å; E77-R81 PolarHBondContact OE2-NH2 3.09Å; D78-R81 PolarHBondContact O-N 3.48Å; S79-R81 PolarHBondContact O-N 3.37Å; R81-A84 WeakPolarHBondContact O-CB 3.28Å; R81-A84 PolarHBondContact O-N 2.95Å
82	M	72.9	Confident	74.6	Confident	22 Å²	22	75.5 Å²	75.5	11%	0.108	44%	0.441	C	S	.	.	H	α-helix	trans	-73	-35	178.2	-69.2	-49.8	120.1	0	0	113.4	D78 S79 T80 A84 V85 S86 Y175 Q178	D78-M82 WeakPolarHBondContact O-CB 3.43Å; D78-M82 WeakPolarHBondContact O-CG 3.48Å; D78-M82 PolarHBondContact O-N 2.91Å; S79-M82 PolarHBondContact O-N 3.49Å; T80-M82 VanDerWaalsContact C-N 3.31Å; T80-M82 PolarHBondContact O-N 2.98Å; M82-A84 PolarHBondContact O-N 2.94Å; M82-V85 PolarHBondContact O-N 3.49Å; M82-V85 VanDerWaalsContact O-N 3.1Å; M82-S86 PolarHBondContact O-N 3.17Å; M82-S86 PolarHBondContact O-OG 3.26Å; M82-Y175 HydrophobicContact SD-CD2 3.62Å; M82-Y175 HydrophobicContact SD-CG 4.15Å; M82-Q178 VanDerWaalsContact CG-OE1 3.23Å; M82-Q178 PolarHBondContact SD-OE1 2.97Å
83	S	76.8	Confident	77.1	Confident	72 Å²	72	70.4 Å²	70.4	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-25.8	173.3	76.7	0	0	0	0	113	S79 T80 V85 S137	S79-S83 PolarHBondContact O-N 2.84Å; T80-S83 PolarHBondContact O-N 2.87Å; T80-S83 PolarHBondContact O-OG 2.8Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.21Å; S83-S137 PolarHBondContact O-OG 2.75Å
84	A	84.9	Confident	79.4	Confident	55 Å²	55	71.3 Å²	71.3	46%	0.455	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.6	175.8	0	0	0	0	0	113	T80 R81 M82 R139	T80-A84 PolarHBondContact O-N 2.98Å; R81-A84 WeakPolarHBondContact O-CB 3.28Å; R81-A84 PolarHBondContact O-N 2.95Å; M82-A84 PolarHBondContact O-N 2.94Å; A84-R139 PolarHBondContact O-NH2 3.47Å
85	V	91.4	Very high	81.5	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.012	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-42.1	-178.8	179.1	0	0	0	0	112	M82 S83 S136 S137 W152 R171 A172 Y175	M82-V85 PolarHBondContact O-N 3.49Å; M82-V85 VanDerWaalsContact O-N 3.1Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.21Å; V85-S136 WeakPolarHBondContact O-CA 3.48Å; V85-S137 PolarHBondContact O-N 3.1Å; V85-W152 HydrophobicContact CG1-CE3 4.06Å; V85-W152 HydrophobicContact CG1-CZ3 4.46Å; V85-R171 HydrophobicContact CG2-CB 4.05Å; V85-A172 HydrophobicContact CG1-CB 4.11Å; V85-Y175 HydrophobicContact CG1-CD1 3.86Å; V85-Y175 HydrophobicContact CG1-CG 4.01Å
86	S	91.6	Very high	82.9	Confident	20 Å²	20	70.5 Å²	70.5	14%	0.14	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-119.1	147.9	-166.7	68.2	0	0	0	0	113.6	M82 H135 S137 Y175	M82-S86 PolarHBondContact O-N 3.17Å; M82-S86 PolarHBondContact O-OG 3.26Å; S86-H135 VanDerWaalsContact CA-O 3.28Å; S86-H135 WeakPolarHBondContact CA-O 3.49Å; S86-S137 PolarHBondContact N-OG 3.37Å; S86-S137 PolarHBondContact O-OG 3.47Å; S86-Y175 WeakPolarHBondContact CB-OH 3.35Å
87	N	89.4	Confident	84.6	Confident	90 Å²	90	65.1 Å²	65.1	48%	0.481	38%	0.381	S	S	.	.			trans	-117.4	96.7	-179	-176.7	28.3	0	0	0	111.8	H135 S136	N87-H135 HydrophobicContact CB-CB 4.2Å; N87-H135 PolarHBondContact N-O 2.86Å; N87-H135 WeakPolarHBondContact O-CB 3.39Å; N87-S136 WeakPolarHBondContact CB-O 2.97Å
88	G	90.8	Very high	86.3	Confident	52 Å²	52	67 Å²	67	54%	0.536	39%	0.39	S	S	.	.	S	Bend	trans	70	-162.6	177.3	0	0	0	0	0	114.1
89	N	93.9	Very high	88	Confident	147 Å²	147	67 Å²	67	79%	0.786	39%	0.388	S	S	*	.	S	Bend	trans	-80	138.2	-175	-68.5	-28.3	0	0	0	111.5	H135	N89-H135 PolarHBondContact O-CD2 3.41Å; N89-H135 PolarHBondContact O-NE2 3.06Å
90	P	97.1	Very high	89.6	Confident	32 Å²	32	66.1 Å²	66.1	21%	0.208	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-56.7	151	174.8	-25.5	34.7	0	0	0	113.7	I92 I132 P134	P90-I92 HydrophobicContact CB-CD1 4.03Å; P90-I92 PolarHBondContact O-N 3.21Å; P90-I132 HydrophobicContact CB-CG2 3.65Å; P90-I132 HydrophobicContact CG-CG2 4.02Å; P90-P134 HydrophobicContact CB-CB 4.37Å; P90-P134 HydrophobicContact CG-CB 4.25Å
91	S	97.6	Very high	91.2	Very high	17 Å²	17	61.8 Å²	61.8	12%	0.119	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.6	165.9	-69.1	0	0	0	0	109.9	H114 C133 H135	S91-H114 PolarHBondContact OG-CD2 3.12Å; S91-C133 PolarHBondContact N-O 3.11Å; S91-C133 PolarHBondContact O-N 3.08Å; S91-H135 PolarHBondContact OG-CE1 3.35Å; S91-H135 VanDerWaalsContact OG-CE1 3.27Å; S91-H135 PolarHBondContact OG-NE2 3.14Å
92	I	97.7	Very high	92.6	Very high	87 Å²	87	56.5 Å²	56.5	45%	0.446	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.1	-176	-53.9	-62	0	0	0	110.9	P90 K130 F131 I132	P90-I92 HydrophobicContact CB-CD1 4.03Å; P90-I92 PolarHBondContact O-N 3.21Å; I92-K130 HydrophobicContact CG2-CD 4.24Å; I92-K130 HydrophobicContact CG2-CG 4.19Å; I92-F131 WeakPolarHBondContact CA-O 3.21Å; I92-I132 HydrophobicContact CD1-CB 4.1Å; I92-I132 HydrophobicContact CD1-CG1 3.84Å; I92-I132 HydrophobicContact CD1-CG2 3.85Å
93	V	97.2	Very high	93.8	Very high	18 Å²	18	55.4 Å²	55.4	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.3	165.6	-172.7	0	0	0	0	108.5	A117 K121 K130 F131	V93-A117 HydrophobicContact CG2-CB 3.94Å; V93-A117 WeakPolarHBondContact CG2-O 3.5Å; V93-K121 HydrophobicContact CG1-CB 4.35Å; V93-K121 HydrophobicContact CG2-CB 4.48Å; V93-K130 WeakPolarHBondContact O-CA 3.41Å; V93-F131 HydrophobicContact CB-CB 4.03Å; V93-F131 HydrophobicContact CB-CD2 4.04Å; V93-F131 HydrophobicContact CB-CG 4.46Å; V93-F131 HydrophobicContact CG1-CD2 4.26Å; V93-F131 HydrophobicContact CG2-CB 4.4Å; V93-F131 PolarHBondContact N-O 3.32Å; V93-F131 PolarHBondContact O-N 2.89Å
94	S	95.8	Very high	94.9	Very high	84 Å²	84	52 Å²	52	59%	0.587	30%	0.298	S	S	*	.			trans	-71.7	145.4	178.6	-56.3	0	0	0	0	111.9
95	P	95.1	Very high	95.5	Very high	25 Å²	25	49.4 Å²	49.4	16%	0.162	28%	0.277	C	S	.	.			trans	-63.5	155.3	169.3	26.2	-30.5	0	0	0	110.7	H99 D127	P95-H99 HydrophobicContact CG-CB 3.75Å; P95-D127 VanDerWaalsContact CB-O 3.23Å; P95-D127 WeakPolarHBondContact CB-O 3.36Å
96	R	90.6	Very high	95.9	Very high	173 Å²	173	49.3 Å²	49.3	65%	0.653	28%	0.276	S	S	*	.	S	Bend	trans	-79.8	-35.6	175	-73.6	-170.7	177.6	133.7	-10	112.8	K125 D127	R96-K125 VanDerWaalsContact CZ-NZ 3.28Å; R96-K125 VanDerWaalsContact NE-CE 3.26Å; R96-D127 WeakPolarHBondContact CD-OD1 2.89Å; R96-D127 PolarHBondContact N-O 3.39Å; R96-D127 IonicContact NH1-OD1 3.75Å; R96-D127 PolarHBondContact NH1-OD1 3.35Å
97	G	93.7	Very high	96.2	Very high	42 Å²	42	48.4 Å²	48.4	43%	0.433	27%	0.27	S	S	.	.	S	Bend	trans	-104	-155.4	177.3	0	0	0	0	0	111.2	H99 D127	G97-H99 PolarHBondContact O-N 3.19Å; G97-D127 WeakPolarHBondContact CA-O 3.34Å; G97-D127 PolarHBondContact N-O 3.24Å
98	E	95.4	Very high	96.6	Very high	135 Å²	135	44.4 Å²	44.4	63%	0.631	25%	0.249	S	C	*	.			trans	-57.5	131.6	176.1	-173.8	-177.1	-166.8	0	0	111.1	K100 N128	E98-K100 HydrophobicContact CB-CG 4.44Å; E98-K100 HydrophobicContact CG-CG 4.23Å; E98-K100 PolarHBondContact O-N 3.35Å; E98-K100 VanDerWaalsContact O-N 3.13Å; E98-K100 WeakPolarHBondContact OE2-CE 3.5Å; E98-K100 IonicContact OE2-NZ 3.75Å; E98-N128 VanDerWaalsContact O-CA 3.28Å; E98-N128 WeakPolarHBondContact O-CA 3.46Å; E98-N128 WeakPolarHBondContact O-CB 3.44Å; E98-N128 PolarHBondContact O-ND2 3.29Å
99	H	97.2	Very high	96.9	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.259	23%	0.232	S	C	.	.			trans	-73	100.7	174.8	-180	-163.6	0	0	0	109.3	P95 G97 G101 T102 K130 E183 I188	P95-H99 HydrophobicContact CG-CB 3.75Å; G97-H99 PolarHBondContact O-N 3.19Å; H99-G101 PolarHBondContact CD2-O 3.23Å; H99-G101 PolarHBondContact NE2-O 2.93Å; H99-G101 VanDerWaalsContact NE2-O 3.16Å; H99-T102 PolarHBondContact CE1-OG1 3.27Å; H99-T102 PolarHBondContact NE2-OG1 3.35Å; H99-K130 WeakPolarHBondContact CE1-CE 3.44Å; H99-K130 PolarHBondContact CE1-NZ 2.55Å; H99-K130 WeakPolarHBondContact NE2-CB 3.33Å; H99-E183 IonicContact CE1-OE2 3.42Å; H99-E183 PolarHBondContact CE1-OE2 2.91Å; H99-E183 IonicContact NE2-OE2 3.82Å; H99-I188 VanDerWaalsContact CE1-CG1 3.44Å; H99-I188 WeakPolarHBondContact CE1-CG1 3.49Å; H99-I188 WeakPolarHBondContact O-CD1 3.46Å
100	K	97.7	Very high	97	Very high	57 Å²	57	38 Å²	38	25%	0.248	21%	0.211	C	C	.	.			trans	-100.3	-36	-178.5	-65.1	-174.6	175	-174.6	0	112.7	E98 N128 R192 A303	E98-K100 HydrophobicContact CB-CG 4.44Å; E98-K100 HydrophobicContact CG-CG 4.23Å; E98-K100 PolarHBondContact O-N 3.35Å; E98-K100 VanDerWaalsContact O-N 3.13Å; E98-K100 WeakPolarHBondContact OE2-CE 3.5Å; E98-K100 IonicContact OE2-NZ 3.75Å; K100-N128 HydrophobicContact CB-CB 4.08Å; K100-N128 HydrophobicContact CD-CB 4.13Å; K100-N128 HydrophobicContact CG-CB 4.1Å; K100-N128 PolarHBondContact N-O 3.43Å; K100-R192 WeakPolarHBondContact O-CB 3.47Å; K100-R192 WeakPolarHBondContact O-CD 3.48Å; K100-A303 WeakPolarHBondContact CD-O 3.45Å
101	G	98.5	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	169	178.7	0	0	0	0	0	113.3	H99 N128 I129 K130 R192 I302	H99-G101 PolarHBondContact CD2-O 3.23Å; H99-G101 PolarHBondContact NE2-O 2.93Å; H99-G101 VanDerWaalsContact NE2-O 3.16Å; G101-N128 PolarHBondContact N-O 2.98Å; G101-I129 CarbonylContact O-C 3.54Å; G101-I129 VanDerWaalsContact O-CA 3.29Å; G101-I129 WeakPolarHBondContact O-CA 3.38Å; G101-K130 PolarHBondContact O-N 3.22Å; G101-R192 CarbonylContact C-O 3.57Å; G101-R192 WeakPolarHBondContact CA-O 3.38Å; G101-I302 WeakPolarHBondContact CA-O 3.26Å
102	T	98.8	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.4	-179.4	-61.1	0	0	0	0	110.7	H99 I104 K130 I132 E183 R192 I193 A194 I302	H99-T102 PolarHBondContact CE1-OG1 3.27Å; H99-T102 PolarHBondContact NE2-OG1 3.35Å; T102-I104 HydrophobicContact CG2-CG1 4.27Å; T102-K130 CarbonylContact C-O 3.59Å; T102-K130 VanDerWaalsContact CA-O 3.31Å; T102-K130 WeakPolarHBondContact CA-O 3.08Å; T102-K130 HydrophobicContact CG2-CB 4.49Å; T102-I132 HydrophobicContact CG2-CD1 3.77Å; T102-I132 HydrophobicContact CG2-CG1 3.89Å; T102-E183 WeakPolarHBondContact CB-OE2 3.49Å; T102-E183 HydrophobicContact CG2-CG 3.97Å; T102-E183 WeakPolarHBondContact CG2-OE2 3.41Å; T102-E183 PolarHBondContact OG1-OE2 3.44Å; T102-R192 PolarHBondContact N-O 3.26Å; T102-I193 CarbonylContact O-C 3.53Å; T102-I193 WeakPolarHBondContact O-CA 3.2Å; T102-A194 PolarHBondContact O-N 2.89Å; T102-I302 WeakPolarHBondContact O-CD1 3.21Å
103	L	98.8	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.2	161.8	178.1	65.3	0	0	0	109.4	F105 F120 I129 K130 F131 I132 A194 L298	L103-F105 HydrophobicContact CD2-CB 4.31Å; L103-F105 HydrophobicContact CD2-CD2 3.9Å; L103-F105 HydrophobicContact CG-CB 4.27Å; L103-F105 HydrophobicContact CG-CD2 4.4Å; L103-F120 HydrophobicContact CD2-CE1 3.86Å; L103-F120 HydrophobicContact CD2-CE2 4.36Å; L103-F120 HydrophobicContact CD2-CZ 3.74Å; L103-I129 HydrophobicContact CB-CG2 4.36Å; L103-K130 PolarHBondContact N-O 2.89Å; L103-F131 HydrophobicContact CB-CD1 3.89Å; L103-F131 HydrophobicContact CB-CE1 4.25Å; L103-F131 HydrophobicContact CD2-CD1 3.76Å; L103-F131 HydrophobicContact CD2-CE1 3.88Å; L103-F131 HydrophobicContact CG-CD1 4.33Å; L103-F131 CarbonylContact O-C 3.53Å; L103-F131 WeakPolarHBondContact O-CA 3.19Å; L103-I132 PolarHBondContact O-N 3.46Å; L103-A194 WeakPolarHBondContact CA-O 3.27Å; L103-A194 HydrophobicContact CD1-CB 3.8Å; L103-L298 HydrophobicContact CB-CD2 4.49Å; L103-L298 HydrophobicContact CD1-CD2 4.07Å; L103-L298 HydrophobicContact CD2-CD1 3.79Å; L103-L298 HydrophobicContact CD2-CD2 4.34Å
104	I	98.9	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.9	166.1	-62.9	158	0	0	0	107.4	T102 I132 L179 I180 I193 A194 V195 G196	T102-I104 HydrophobicContact CG2-CG1 4.27Å; I104-I132 CarbonylContact C-O 3.56Å; I104-I132 WeakPolarHBondContact CA-O 3.35Å; I104-I132 HydrophobicContact CG1-CB 4.13Å; I104-I132 HydrophobicContact CG1-CD1 4.18Å; I104-L179 HydrophobicContact CD1-CB 3.75Å; I104-L179 HydrophobicContact CG1-CB 4.43Å; I104-L179 HydrophobicContact CG2-CB 4.45Å; I104-L179 HydrophobicContact CG2-CD1 3.85Å; I104-I180 HydrophobicContact CD1-CB 4.38Å; I104-I180 HydrophobicContact CD1-CG1 3.63Å; I104-I193 HydrophobicContact CD1-CG2 4.27Å; I104-A194 PolarHBondContact N-O 3.1Å; I104-V195 CarbonylContact O-C 3.54Å; I104-V195 WeakPolarHBondContact O-CA 3.37Å; I104-G196 PolarHBondContact O-N 3.09Å
105	F	98.8	Very high	96.7	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.2	-171.9	-161.4	-82.2	0	0	0	113.5	L103 W116 F120 I132 P134 G196 G197 F198 L222	L103-F105 HydrophobicContact CD2-CB 4.31Å; L103-F105 HydrophobicContact CD2-CD2 3.9Å; L103-F105 HydrophobicContact CG-CB 4.27Å; L103-F105 HydrophobicContact CG-CD2 4.4Å; F105-W116 HydrophobicContact CD1-CB 3.97Å; F105-W116 AromaticContact CD1-CD2 3.69Å; F105-W116 HydrophobicContact CD1-CD2 3.69Å; F105-W116 AromaticContact CD1-CE3 3.91Å; F105-W116 HydrophobicContact CD1-CE3 3.91Å; F105-W116 AromaticContact CD1-CG 3.68Å; F105-W116 HydrophobicContact CD1-CG 3.68Å; F105-W116 HydrophobicContact CE1-CB 4.4Å; F105-W116 AromaticContact CE1-CD2 3.18Å; F105-W116 HydrophobicContact CE1-CD2 3.18Å; F105-W116 AromaticContact CE1-CE2 3.52Å; F105-W116 AromaticContact CE1-CE3 3.34Å; F105-W116 HydrophobicContact CE1-CE3 3.34Å; F105-W116 AromaticContact CE1-CG 3.66Å; F105-W116 HydrophobicContact CE1-CG 3.66Å; F105-W116 HydrophobicContact CE1-CH2 4.07Å; F105-W116 AromaticContact CE1-CZ2 3.98Å; F105-W116 HydrophobicContact CE1-CZ2 3.98Å; F105-W116 AromaticContact CE1-CZ3 3.77Å; F105-W116 HydrophobicContact CE1-CZ3 3.77Å; F105-W116 AromaticContact CZ-CD2 4Å; F105-W116 HydrophobicContact CZ-CD2 4Å; F105-W116 AromaticContact CZ-CE3 3.69Å; F105-W116 HydrophobicContact CZ-CE3 3.69Å; F105-W116 AromaticContact CZ-CH2 3.99Å; F105-W116 HydrophobicContact CZ-CH2 3.99Å; F105-W116 HydrophobicContact CZ-CZ2 4.3Å; F105-W116 AromaticContact CZ-CZ3 3.67Å; F105-W116 HydrophobicContact CZ-CZ3 3.67Å; F105-F120 HydrophobicContact CB-CE2 3.6Å; F105-F120 HydrophobicContact CB-CZ 4.04Å; F105-F120 AromaticContact CD1-CE2 3.92Å; F105-F120 HydrophobicContact CD1-CE2 3.92Å; F105-F120 HydrophobicContact CD1-CZ 4.16Å; F105-F120 AromaticContact CD2-CE2 3.88Å; F105-F120 HydrophobicContact CD2-CE2 3.88Å; F105-F120 AromaticContact CD2-CZ 3.44Å; F105-F120 HydrophobicContact CD2-CZ 3.44Å; F105-F120 VanDerWaalsContact CD2-CZ 3.44Å; F105-F120 AromaticContact CE2-CZ 3.85Å; F105-F120 HydrophobicContact CE2-CZ 3.85Å; F105-F120 AromaticContact CG-CE2 3.5Å; F105-F120 HydrophobicContact CG-CE2 3.5Å; F105-F120 VanDerWaalsContact CG-CE2 3.5Å; F105-F120 AromaticContact CG-CZ 3.6Å; F105-F120 HydrophobicContact CG-CZ 3.6Å; F105-F120 HydrophobicContact CZ-CZ 4.39Å; F105-I132 PolarHBondContact N-O 3.2Å; F105-P134 WeakPolarHBondContact O-CD 3.33Å; F105-G196 CarbonylContact C-O 3.57Å; F105-G196 VanDerWaalsContact CA-O 3.31Å; F105-G196 WeakPolarHBondContact CA-O 3.25Å; F105-G197 VanDerWaalsContact CZ-C 3.4Å; F105-F198 HydrophobicContact CE1-CB 4.11Å; F105-F198 HydrophobicContact CZ-CB 4.24Å; F105-L222 HydrophobicContact CE2-CD1 4.15Å; F105-L222 HydrophobicContact CZ-CD1 3.84Å; F105-L222 HydrophobicContact CZ-CG 4.3Å
106	L	98.8	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.8	-174.3	-63.6	141.5	0	0	0	111.2	P134 W152 V176 V195 G196 G197 F198 G201 L204 A205	L106-P134 HydrophobicContact CD2-CG 4.06Å; L106-W152 HydrophobicContact CB-CZ2 4.21Å; L106-W152 HydrophobicContact CD2-CD2 4Å; L106-W152 HydrophobicContact CD2-CE3 4.17Å; L106-W152 HydrophobicContact CD2-CH2 3.85Å; L106-W152 HydrophobicContact CD2-CZ2 3.61Å; L106-W152 HydrophobicContact CD2-CZ3 4.11Å; L106-V176 HydrophobicContact CD1-CG2 3.88Å; L106-V176 HydrophobicContact CD2-CG2 3.83Å; L106-V176 HydrophobicContact CG-CG2 4.43Å; L106-V195 HydrophobicContact CD1-CG2 4.12Å; L106-G196 PolarHBondContact N-O 3.41Å; L106-G197 CarbonylContact O-C 3.56Å; L106-G197 WeakPolarHBondContact O-CA 3.41Å; L106-F198 PolarHBondContact O-N 2.83Å; L106-G201 WeakPolarHBondContact CB-O 3.49Å; L106-L204 HydrophobicContact CD1-CD2 4.44Å; L106-L204 HydrophobicContact CD1-CG 4.34Å; L106-L204 HydrophobicContact CD2-CD2 4.11Å; L106-A205 HydrophobicContact CD1-CB 3.82Å
107	H	98.5	Very high	97.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-72	165.1	179.4	70.7	76.6	0	0	0	112.7	D111 P134 S136 W152 G201	H107-D111 HydrophobicContact CB-CB 4.27Å; H107-D111 PolarHBondContact CE1-O 3.15Å; H107-D111 PolarHBondContact ND1-O 3.01Å; H107-D111 VanDerWaalsContact ND1-O 3.15Å; H107-D111 PolarHBondContact NE2-O 2.67Å; H107-P134 PolarHBondContact CD2-O 3.23Å; H107-S136 PolarHBondContact CE1-OG 2.85Å; H107-S136 PolarHBondContact NE2-N 3.24Å; H107-S136 PolarHBondContact NE2-OG 3.32Å; H107-W152 AromaticContact CD2-CZ2 3.35Å; H107-W152 WeakPolarHBondContact CD2-CZ2 3.42Å; H107-W152 AromaticContact NE2-CE2 3.85Å; H107-W152 AromaticContact NE2-CH2 3.95Å; H107-W152 AromaticContact NE2-CZ2 3.37Å; H107-W152 WeakPolarHBondContact NE2-CZ2 3.49Å; H107-W152 PolarHBondContact O-NE1 3.26Å; H107-G201 VanDerWaalsContact O-CA 3.31Å; H107-G201 WeakPolarHBondContact O-CA 3.5Å; H107-G201 PolarHBondContact O-N 2.9Å
108	G	97.9	Very high	97.2	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-79.1	172	175.7	0	0	0	0	0	113.7	G110 D111 F198	G108-G110 PolarHBondContact O-N 2.81Å; G108-D111 PolarHBondContact O-N 2.84Å; G108-F198 WeakPolarHBondContact CA-O 3.17Å; G108-F198 PolarHBondContact N-O 2.86Å
109	L	97.3	Very high	97.2	Very high	31 Å²	31	24.8 Å²	24.8	16%	0.162	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	131	178	175.1	63.8	0	0	0	111.8	D111 V141 M149 A151 L155 M200	L109-D111 VanDerWaalsContact C-N 3.31Å; L109-D111 PolarHBondContact O-N 2.92Å; L109-V141 HydrophobicContact CD1-CG1 4.3Å; L109-V141 HydrophobicContact CD1-CG2 3.93Å; L109-V141 HydrophobicContact CD2-CG1 4.32Å; L109-M149 HydrophobicContact CD1-CG 3.96Å; L109-M149 HydrophobicContact CD1-SD 3.83Å; L109-M149 HydrophobicContact CD2-SD 4.39Å; L109-M149 HydrophobicContact CG-SD 4Å; L109-A151 HydrophobicContact CD1-CB 3.65Å; L109-L155 HydrophobicContact CD2-CD2 4.32Å; L109-M200 HydrophobicContact CB-CE 4.28Å; L109-M200 HydrophobicContact CD1-CE 3.97Å
110	G	95.9	Very high	97.1	Very high	34 Å²	34	22.1 Å²	22.1	35%	0.351	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-8.5	176.2	0	0	0	0	0	115.8	G108 P150	G108-G110 PolarHBondContact O-N 2.81Å; G110-P150 PolarHBondContact N-O 2.84Å
111	D	94.7	Very high	96.9	Very high	37 Å²	37	25.3 Å²	25.3	20%	0.198	14%	0.139	C	C	.	.			trans	-98.3	-174.1	-179.9	-163.2	8.6	0	0	0	112.2	H107 G108 L109 P150	H107-D111 HydrophobicContact CB-CB 4.27Å; H107-D111 PolarHBondContact CE1-O 3.15Å; H107-D111 PolarHBondContact ND1-O 3.01Å; H107-D111 VanDerWaalsContact ND1-O 3.15Å; H107-D111 PolarHBondContact NE2-O 2.67Å; G108-D111 PolarHBondContact O-N 2.84Å; L109-D111 VanDerWaalsContact C-N 3.31Å; L109-D111 PolarHBondContact O-N 2.92Å; D111-P150 WeakPolarHBondContact O-CB 3.41Å
112	Q	96.8	Very high	96.6	Very high	36 Å²	36	30 Å²	30	17%	0.168	17%	0.168	C	C	.	.			trans	-139.1	163.7	172.3	-70.7	-64.5	0.4	0	0	110.1	H114 H135 S136 P150	Q112-H114 PolarHBondContact O-N 2.82Å; Q112-H135 PolarHBondContact OE1-ND1 3.43Å; Q112-S136 PolarHBondContact NE2-O 2.64Å; Q112-S136 VanDerWaalsContact OE1-N 3.16Å; Q112-P150 HydrophobicContact CG-CG 4.31Å
113	G	96.9	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.5	-16.7	-178.5	0	0	0	0	0	117.5	G115 W116 A117 C133 P134 H135	G113-G115 PolarHBondContact O-N 3.24Å; G113-W116 PolarHBondContact O-N 2.78Å; G113-A117 WeakPolarHBondContact O-CB 3.48Å; G113-A117 PolarHBondContact O-N 3.03Å; G113-C133 WeakPolarHBondContact O-CB 3.29Å; G113-P134 WeakPolarHBondContact CA-O 3.28Å; G113-P134 PolarHBondContact N-O 3.38Å; G113-H135 PolarHBondContact N-ND1 2.96Å
114	H	96.4	Very high	95.4	Very high	114 Å²	114	32.7 Å²	32.7	53%	0.528	18%	0.18	S	C	.	.	H	α-helix	trans	-61	-45.6	-176.9	-62.4	105	0	0	0	113.1	S91 Q112 W116 A117 D118 H135	S91-H114 PolarHBondContact OG-CD2 3.12Å; Q112-H114 PolarHBondContact O-N 2.82Å; H114-W116 VanDerWaalsContact C-N 3.32Å; H114-W116 PolarHBondContact O-N 2.9Å; H114-A117 PolarHBondContact O-N 2.96Å; H114-D118 PolarHBondContact O-N 3.29Å; H114-H135 AromaticContact CE1-CE1 3.24Å; H114-H135 PolarHBondContact CE1-CE1 2.88Å; H114-H135 AromaticContact CE1-NE2 3.63Å; H114-H135 AromaticContact CG-CE1 3.85Å; H114-H135 AromaticContact ND1-CE1 3.35Å; H114-H135 PolarHBondContact ND1-CE1 2.82Å; H114-H135 AromaticContact NE2-CE1 3.71Å; H114-H135 AromaticContact NE2-NE2 3.81Å
115	G	94.6	Very high	95	Very high	14 Å²	14	35.5 Å²	35.5	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-40.9	-176.7	0	0	0	0	0	112.4	G113 D118 A119	G113-G115 PolarHBondContact O-N 3.24Å; G115-D118 PolarHBondContact O-N 2.92Å; G115-A119 PolarHBondContact O-N 3.47Å; G115-A119 VanDerWaalsContact O-N 3.08Å
116	W	97.3	Very high	94.8	Very high	17 Å²	17	36.5 Å²	36.5	6%	0.064	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-38.1	176.1	-74.3	98.9	0	0	0	112.6	F105 G113 H114 D118 A119 F120 F198 L222 M291	F105-W116 HydrophobicContact CD1-CB 3.97Å; F105-W116 AromaticContact CD1-CD2 3.69Å; F105-W116 HydrophobicContact CD1-CD2 3.69Å; F105-W116 AromaticContact CD1-CE3 3.91Å; F105-W116 HydrophobicContact CD1-CE3 3.91Å; F105-W116 AromaticContact CD1-CG 3.68Å; F105-W116 HydrophobicContact CD1-CG 3.68Å; F105-W116 HydrophobicContact CE1-CB 4.4Å; F105-W116 AromaticContact CE1-CD2 3.18Å; F105-W116 HydrophobicContact CE1-CD2 3.18Å; F105-W116 AromaticContact CE1-CE2 3.52Å; F105-W116 AromaticContact CE1-CE3 3.34Å; F105-W116 HydrophobicContact CE1-CE3 3.34Å; F105-W116 AromaticContact CE1-CG 3.66Å; F105-W116 HydrophobicContact CE1-CG 3.66Å; F105-W116 HydrophobicContact CE1-CH2 4.07Å; F105-W116 AromaticContact CE1-CZ2 3.98Å; F105-W116 HydrophobicContact CE1-CZ2 3.98Å; F105-W116 AromaticContact CE1-CZ3 3.77Å; F105-W116 HydrophobicContact CE1-CZ3 3.77Å; F105-W116 AromaticContact CZ-CD2 4Å; F105-W116 HydrophobicContact CZ-CD2 4Å; F105-W116 AromaticContact CZ-CE3 3.69Å; F105-W116 HydrophobicContact CZ-CE3 3.69Å; F105-W116 AromaticContact CZ-CH2 3.99Å; F105-W116 HydrophobicContact CZ-CH2 3.99Å; F105-W116 HydrophobicContact CZ-CZ2 4.3Å; F105-W116 AromaticContact CZ-CZ3 3.67Å; F105-W116 HydrophobicContact CZ-CZ3 3.67Å; G113-W116 PolarHBondContact O-N 2.78Å; H114-W116 VanDerWaalsContact C-N 3.32Å; H114-W116 PolarHBondContact O-N 2.9Å; W116-D118 VanDerWaalsContact C-N 3.28Å; W116-D118 PolarHBondContact O-N 3.06Å; W116-A119 HydrophobicContact CE3-CB 4.47Å; W116-A119 PolarHBondContact O-N 3.28Å; W116-F120 HydrophobicContact CB-CD2 4.43Å; W116-F120 HydrophobicContact CB-CE2 4.09Å; W116-F120 HydrophobicContact CE3-CE2 4.17Å; W116-F120 HydrophobicContact CE3-CZ 4.16Å; W116-F120 WeakPolarHBondContact O-CD2 3.48Å; W116-F120 WeakPolarHBondContact O-CG 3.35Å; W116-F120 PolarHBondContact O-N 2.82Å; W116-F198 HydrophobicContact CH2-CB 3.94Å; W116-F198 HydrophobicContact CH2-CD2 4.07Å; W116-F198 HydrophobicContact CH2-CG 4.16Å; W116-F198 HydrophobicContact CZ2-CB 3.25Å; W116-F198 HydrophobicContact CZ2-CD1 4.1Å; W116-F198 AromaticContact CZ2-CD2 3.77Å; W116-F198 HydrophobicContact CZ2-CD2 3.77Å; W116-F198 AromaticContact CZ2-CG 3.45Å; W116-F198 HydrophobicContact CZ2-CG 3.45Å; W116-F198 VanDerWaalsContact CZ2-CG 3.45Å; W116-L222 HydrophobicContact CH2-CD1 4.02Å; W116-L222 HydrophobicContact CZ3-CD1 4.13Å; W116-M291 HydrophobicContact CZ3-CE 4.27Å; W116-M291 HydrophobicContact CZ3-SD 4.03Å
117	A	97.2	Very high	94.6	Very high	9 Å²	9	40.3 Å²	40.3	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-41.1	172.8	0	0	0	0	0	111.6	V93 G113 H114 F120 K121 C133	V93-A117 HydrophobicContact CG2-CB 3.94Å; V93-A117 WeakPolarHBondContact CG2-O 3.5Å; G113-A117 WeakPolarHBondContact O-CB 3.48Å; G113-A117 PolarHBondContact O-N 3.03Å; H114-A117 PolarHBondContact O-N 2.96Å; A117-F120 PolarHBondContact O-N 3.44Å; A117-K121 VanDerWaalsContact O-CB 3.29Å; A117-K121 WeakPolarHBondContact O-CB 3.41Å; A117-K121 PolarHBondContact O-N 3.1Å; A117-C133 HydrophobicContact CB-CB 4.2Å
118	D	95.6	Very high	94.6	Very high	94 Å²	94	42.2 Å²	42.2	50%	0.503	23%	0.228	S	C	.	.	H	α-helix	trans	-65.8	-40.5	175.4	-79.5	-22.1	0	0	0	112.5	H114 G115 W116 K121 T122	H114-D118 PolarHBondContact O-N 3.29Å; G115-D118 PolarHBondContact O-N 2.92Å; W116-D118 VanDerWaalsContact C-N 3.28Å; W116-D118 PolarHBondContact O-N 3.06Å; D118-K121 PolarHBondContact O-N 3.42Å; D118-T122 WeakPolarHBondContact O-CG2 3.48Å; D118-T122 PolarHBondContact O-N 3.23Å; D118-T122 VanDerWaalsContact O-N 3.11Å; D118-T122 PolarHBondContact O-OG1 3.05Å
119	A	94.4	Very high	94.6	Very high	15 Å²	15	42 Å²	42	12%	0.124	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-43.5	173.7	0	0	0	0	0	111.9	G115 W116 K121 T122 E123 A124	G115-A119 PolarHBondContact O-N 3.47Å; G115-A119 VanDerWaalsContact O-N 3.08Å; W116-A119 HydrophobicContact CE3-CB 4.47Å; W116-A119 PolarHBondContact O-N 3.28Å; A119-K121 VanDerWaalsContact C-N 3.32Å; A119-K121 PolarHBondContact O-N 3.11Å; A119-T122 PolarHBondContact O-N 3.48Å; A119-T122 PolarHBondContact O-OG1 3.14Å; A119-E123 PolarHBondContact O-N 3.38Å; A119-A124 PolarHBondContact O-N 3.29Å
120	F	95.2	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-26.9	175.5	-67.4	-56.4	0	0	0	113.1	L103 F105 W116 A117 T122 A124 K125 F131 M291	L103-F120 HydrophobicContact CD2-CE1 3.86Å; L103-F120 HydrophobicContact CD2-CE2 4.36Å; L103-F120 HydrophobicContact CD2-CZ 3.74Å; F105-F120 HydrophobicContact CB-CE2 3.6Å; F105-F120 HydrophobicContact CB-CZ 4.04Å; F105-F120 AromaticContact CD1-CE2 3.92Å; F105-F120 HydrophobicContact CD1-CE2 3.92Å; F105-F120 HydrophobicContact CD1-CZ 4.16Å; F105-F120 AromaticContact CD2-CE2 3.88Å; F105-F120 HydrophobicContact CD2-CE2 3.88Å; F105-F120 AromaticContact CD2-CZ 3.44Å; F105-F120 HydrophobicContact CD2-CZ 3.44Å; F105-F120 VanDerWaalsContact CD2-CZ 3.44Å; F105-F120 AromaticContact CE2-CZ 3.85Å; F105-F120 HydrophobicContact CE2-CZ 3.85Å; F105-F120 AromaticContact CG-CE2 3.5Å; F105-F120 HydrophobicContact CG-CE2 3.5Å; F105-F120 VanDerWaalsContact CG-CE2 3.5Å; F105-F120 AromaticContact CG-CZ 3.6Å; F105-F120 HydrophobicContact CG-CZ 3.6Å; F105-F120 HydrophobicContact CZ-CZ 4.39Å; W116-F120 HydrophobicContact CB-CD2 4.43Å; W116-F120 HydrophobicContact CB-CE2 4.09Å; W116-F120 HydrophobicContact CE3-CE2 4.17Å; W116-F120 HydrophobicContact CE3-CZ 4.16Å; W116-F120 WeakPolarHBondContact O-CD2 3.48Å; W116-F120 WeakPolarHBondContact O-CG 3.35Å; W116-F120 PolarHBondContact O-N 2.82Å; A117-F120 PolarHBondContact O-N 3.44Å; F120-T122 VanDerWaalsContact C-N 3.32Å; F120-A124 HydrophobicContact CD1-CB 3.78Å; F120-A124 HydrophobicContact CE1-CB 4.24Å; F120-A124 CarbonylContact O-C 3.58Å; F120-K125 WeakPolarHBondContact O-CA 3.29Å; F120-K125 PolarHBondContact O-N 3.07Å; F120-K125 VanDerWaalsContact O-N 3.1Å; F120-F131 HydrophobicContact CB-CB 4.21Å; F120-F131 HydrophobicContact CB-CD1 3.77Å; F120-F131 HydrophobicContact CB-CD2 3.99Å; F120-F131 HydrophobicContact CB-CE1 4.09Å; F120-F131 HydrophobicContact CB-CE2 4.3Å; F120-F131 HydrophobicContact CB-CG 3.71Å; F120-F131 HydrophobicContact CB-CZ 4.34Å; F120-F131 AromaticContact CD1-CD1 3.47Å; F120-F131 HydrophobicContact CD1-CD1 3.47Å; F120-F131 VanDerWaalsContact CD1-CD1 3.47Å; F120-F131 AromaticContact CD1-CE1 3.34Å; F120-F131 HydrophobicContact CD1-CE1 3.34Å; F120-F131 HydrophobicContact CD1-CG 4.3Å; F120-F131 HydrophobicContact CD1-CZ 4.09Å; F120-F131 HydrophobicContact CD2-CB 4.2Å; F120-F131 AromaticContact CD2-CD1 3.8Å; F120-F131 HydrophobicContact CD2-CD1 3.8Å; F120-F131 HydrophobicContact CD2-CG 4.19Å; F120-F131 HydrophobicContact CE1-CD1 4.03Å; F120-F131 AromaticContact CE1-CE1 3.92Å; F120-F131 HydrophobicContact CE1-CE1 3.92Å; F120-F131 HydrophobicContact CE2-CD1 4.32Å; F120-F131 HydrophobicContact CG-CB 4.29Å; F120-F131 AromaticContact CG-CD1 3.38Å; F120-F131 HydrophobicContact CG-CD1 3.38Å; F120-F131 AromaticContact CG-CE1 3.74Å; F120-F131 HydrophobicContact CG-CE1 3.74Å; F120-F131 AromaticContact CG-CG 3.82Å; F120-F131 HydrophobicContact CG-CG 3.82Å; F120-F131 HydrophobicContact CG-CZ 4.43Å; F120-F131 HydrophobicContact CZ-CD1 4.44Å; F120-M291 HydrophobicContact CD1-CE 4.13Å; F120-M291 HydrophobicContact CE1-CE 3.68Å; F120-M291 HydrophobicContact CZ-CE 4.31Å
121	K	93.6	Very high	94.8	Very high	123 Å²	123	40.5 Å²	40.5	54%	0.535	21%	0.208	S	C	.	.	H	α-helix	trans	-74.1	-24.7	175.4	-172.3	175.7	178.4	-178.5	0	112.8	V93 A117 D118 A119	V93-K121 HydrophobicContact CG1-CB 4.35Å; V93-K121 HydrophobicContact CG2-CB 4.48Å; A117-K121 VanDerWaalsContact O-CB 3.29Å; A117-K121 WeakPolarHBondContact O-CB 3.41Å; A117-K121 PolarHBondContact O-N 3.1Å; D118-K121 PolarHBondContact O-N 3.42Å; A119-K121 VanDerWaalsContact C-N 3.32Å; A119-K121 PolarHBondContact O-N 3.11Å
122	T	91.4	Very high	95	Very high	100 Å²	100	39.2 Å²	39.2	61%	0.613	20%	0.201	S	C	*	.	H	α-helix	trans	-112.3	-63.5	-171.9	54.3	0	0	0	0	112.7	D118 A119 F120	D118-T122 WeakPolarHBondContact O-CG2 3.48Å; D118-T122 PolarHBondContact O-N 3.23Å; D118-T122 VanDerWaalsContact O-N 3.11Å; D118-T122 PolarHBondContact O-OG1 3.05Å; A119-T122 PolarHBondContact O-N 3.48Å; A119-T122 PolarHBondContact O-OG1 3.14Å; F120-T122 VanDerWaalsContact C-N 3.32Å
123	E	87.7	Confident	95	Very high	56 Å²	56	37.5 Å²	37.5	26%	0.262	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-42.9	-169.7	-58.7	-170.9	-161.6	0	0	112.9	A119 M291	A119-E123 PolarHBondContact O-N 3.38Å; E123-M291 HydrophobicContact CB-CB 4.1Å; E123-M291 HydrophobicContact CB-CG 4.35Å
124	A	85.8	Confident	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-108.6	23.3	-176.7	0	0	0	0	0	113.6	A119 F120 H126 M291 K295	A119-A124 PolarHBondContact O-N 3.29Å; F120-A124 HydrophobicContact CD1-CB 3.78Å; F120-A124 HydrophobicContact CE1-CB 4.24Å; F120-A124 CarbonylContact O-C 3.58Å; A124-H126 PolarHBondContact O-N 2.74Å; A124-M291 HydrophobicContact CB-CB 4.32Å; A124-M291 HydrophobicContact CB-CE 3.64Å; A124-K295 HydrophobicContact CB-CB 4.42Å
125	K	89.6	Confident	95.2	Very high	58 Å²	58	32.6 Å²	32.6	25%	0.252	17%	0.17	S	C	.	.			trans	-55.7	132.2	-178.1	-170.8	175.8	-166.4	162	0	112.1	R96 F120 K295	R96-K125 VanDerWaalsContact CZ-NZ 3.28Å; R96-K125 VanDerWaalsContact NE-CE 3.26Å; F120-K125 WeakPolarHBondContact O-CA 3.29Å; F120-K125 PolarHBondContact O-N 3.07Å; F120-K125 VanDerWaalsContact O-N 3.1Å; K125-K295 WeakPolarHBondContact O-CE 3.28Å; K125-K295 PolarHBondContact O-NZ 3.44Å
126	H	94.8	Very high	95.3	Very high	23 Å²	23	32 Å²	32	11%	0.106	16%	0.163	C	C	.	.			trans	-129.6	143.2	-179	-164.2	-82.1	0	0	0	111.3	A124 N128 I129 F131 S299 A303	A124-H126 PolarHBondContact O-N 2.74Å; H126-N128 PolarHBondContact ND1-N 3.35Å; H126-I129 HydrophobicContact CB-CB 4.05Å; H126-I129 HydrophobicContact CB-CD1 4.35Å; H126-I129 HydrophobicContact CB-CG1 4.48Å; H126-I129 WeakPolarHBondContact ND1-CG1 3.31Å; H126-I129 PolarHBondContact ND1-N 2.95Å; H126-F131 HydrophobicContact CB-CE2 4.19Å; H126-F131 HydrophobicContact CB-CZ 4.03Å; H126-S299 PolarHBondContact CD2-OG 3.33Å; H126-S299 PolarHBondContact NE2-OG 3.48Å; H126-A303 VanDerWaalsContact CE1-CB 3.48Å; H126-A303 WeakPolarHBondContact CE1-CB 3.37Å
127	D	95.7	Very high	95.3	Very high	79 Å²	79	32 Å²	32	42%	0.422	17%	0.166	S	C	.	.	S	Bend	trans	-79.8	-25.2	-173.1	-68.2	-30	0	0	0	112.9	P95 R96 G97	P95-D127 VanDerWaalsContact CB-O 3.23Å; P95-D127 WeakPolarHBondContact CB-O 3.36Å; R96-D127 WeakPolarHBondContact CD-OD1 2.89Å; R96-D127 PolarHBondContact N-O 3.39Å; R96-D127 IonicContact NH1-OD1 3.75Å; R96-D127 PolarHBondContact NH1-OD1 3.35Å; G97-D127 WeakPolarHBondContact CA-O 3.34Å; G97-D127 PolarHBondContact N-O 3.24Å
128	N	97.3	Very high	95.2	Very high	41 Å²	41	36.9 Å²	36.9	22%	0.219	19%	0.187	C	C	.	.	S	Bend	trans	-118.7	4.5	-176.6	-58.8	110.6	0	0	0	115.7	E98 K100 G101 H126	E98-N128 VanDerWaalsContact O-CA 3.28Å; E98-N128 WeakPolarHBondContact O-CA 3.46Å; E98-N128 WeakPolarHBondContact O-CB 3.44Å; E98-N128 PolarHBondContact O-ND2 3.29Å; K100-N128 HydrophobicContact CB-CB 4.08Å; K100-N128 HydrophobicContact CD-CB 4.13Å; K100-N128 HydrophobicContact CG-CB 4.1Å; K100-N128 PolarHBondContact N-O 3.43Å; G101-N128 PolarHBondContact N-O 2.98Å; H126-N128 PolarHBondContact ND1-N 3.35Å
129	I	98.2	Very high	95.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.4	-177.7	-64.8	169.2	0	0	0	109.5	G101 L103 H126 F131 L298 I302 A303	G101-I129 CarbonylContact O-C 3.54Å; G101-I129 VanDerWaalsContact O-CA 3.29Å; G101-I129 WeakPolarHBondContact O-CA 3.38Å; L103-I129 HydrophobicContact CB-CG2 4.36Å; H126-I129 HydrophobicContact CB-CB 4.05Å; H126-I129 HydrophobicContact CB-CD1 4.35Å; H126-I129 HydrophobicContact CB-CG1 4.48Å; H126-I129 WeakPolarHBondContact ND1-CG1 3.31Å; H126-I129 PolarHBondContact ND1-N 2.95Å; I129-F131 HydrophobicContact CB-CE2 4.43Å; I129-F131 HydrophobicContact CB-CZ 4.36Å; I129-F131 HydrophobicContact CG2-CE1 4.16Å; I129-F131 HydrophobicContact CG2-CE2 4.23Å; I129-F131 HydrophobicContact CG2-CZ 4.01Å; I129-F131 WeakPolarHBondContact O-CE2 3.36Å; I129-L298 HydrophobicContact CD1-CB 3.72Å; I129-I302 HydrophobicContact CD1-CD1 3.89Å; I129-I302 HydrophobicContact CD1-CG1 3.69Å; I129-I302 HydrophobicContact CG1-CD1 4.17Å; I129-I302 HydrophobicContact CG1-CG1 4.18Å; I129-I302 HydrophobicContact CG2-CD1 4.05Å; I129-A303 HydrophobicContact CD1-CB 4.21Å; I129-A303 HydrophobicContact CG1-CB 4.4Å
130	K	98.3	Very high	95.4	Very high	33 Å²	33	36.3 Å²	36.3	14%	0.143	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.8	167.8	-174	171.7	67	-177.1	0	109.5	I92 V93 H99 G101 T102 L103 E183	I92-K130 HydrophobicContact CG2-CD 4.24Å; I92-K130 HydrophobicContact CG2-CG 4.19Å; V93-K130 WeakPolarHBondContact O-CA 3.41Å; H99-K130 WeakPolarHBondContact CE1-CE 3.44Å; H99-K130 PolarHBondContact CE1-NZ 2.55Å; H99-K130 WeakPolarHBondContact NE2-CB 3.33Å; G101-K130 PolarHBondContact O-N 3.22Å; T102-K130 CarbonylContact C-O 3.59Å; T102-K130 VanDerWaalsContact CA-O 3.31Å; T102-K130 WeakPolarHBondContact CA-O 3.08Å; T102-K130 HydrophobicContact CG2-CB 4.49Å; L103-K130 PolarHBondContact N-O 2.89Å; K130-E183 VanDerWaalsContact CE-CD 3.45Å; K130-E183 WeakPolarHBondContact CE-OE1 2.99Å; K130-E183 WeakPolarHBondContact CE-OE2 3.49Å; K130-E183 IonicContact NZ-OE1 2.62Å; K130-E183 PolarHBondContact NZ-OE1 3.35Å; K130-E183 IonicContact NZ-OE2 2.77Å; K130-E183 PolarHBondContact NZ-OE2 2.76Å
131	F	98.5	Very high	95.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.8	172.4	-54.1	-95.1	0	0	0	109.7	I92 V93 L103 F120 H126 I129 L298	I92-F131 WeakPolarHBondContact CA-O 3.21Å; V93-F131 HydrophobicContact CB-CB 4.03Å; V93-F131 HydrophobicContact CB-CD2 4.04Å; V93-F131 HydrophobicContact CB-CG 4.46Å; V93-F131 HydrophobicContact CG1-CD2 4.26Å; V93-F131 HydrophobicContact CG2-CB 4.4Å; V93-F131 PolarHBondContact N-O 3.32Å; V93-F131 PolarHBondContact O-N 2.89Å; L103-F131 HydrophobicContact CB-CD1 3.89Å; L103-F131 HydrophobicContact CB-CE1 4.25Å; L103-F131 HydrophobicContact CD2-CD1 3.76Å; L103-F131 HydrophobicContact CD2-CE1 3.88Å; L103-F131 HydrophobicContact CG-CD1 4.33Å; L103-F131 CarbonylContact O-C 3.53Å; L103-F131 WeakPolarHBondContact O-CA 3.19Å; F120-F131 HydrophobicContact CB-CB 4.21Å; F120-F131 HydrophobicContact CB-CD1 3.77Å; F120-F131 HydrophobicContact CB-CD2 3.99Å; F120-F131 HydrophobicContact CB-CE1 4.09Å; F120-F131 HydrophobicContact CB-CE2 4.3Å; F120-F131 HydrophobicContact CB-CG 3.71Å; F120-F131 HydrophobicContact CB-CZ 4.34Å; F120-F131 AromaticContact CD1-CD1 3.47Å; F120-F131 HydrophobicContact CD1-CD1 3.47Å; F120-F131 VanDerWaalsContact CD1-CD1 3.47Å; F120-F131 AromaticContact CD1-CE1 3.34Å; F120-F131 HydrophobicContact CD1-CE1 3.34Å; F120-F131 HydrophobicContact CD1-CG 4.3Å; F120-F131 HydrophobicContact CD1-CZ 4.09Å; F120-F131 HydrophobicContact CD2-CB 4.2Å; F120-F131 AromaticContact CD2-CD1 3.8Å; F120-F131 HydrophobicContact CD2-CD1 3.8Å; F120-F131 HydrophobicContact CD2-CG 4.19Å; F120-F131 HydrophobicContact CE1-CD1 4.03Å; F120-F131 AromaticContact CE1-CE1 3.92Å; F120-F131 HydrophobicContact CE1-CE1 3.92Å; F120-F131 HydrophobicContact CE2-CD1 4.32Å; F120-F131 HydrophobicContact CG-CB 4.29Å; F120-F131 AromaticContact CG-CD1 3.38Å; F120-F131 HydrophobicContact CG-CD1 3.38Å; F120-F131 AromaticContact CG-CE1 3.74Å; F120-F131 HydrophobicContact CG-CE1 3.74Å; F120-F131 AromaticContact CG-CG 3.82Å; F120-F131 HydrophobicContact CG-CG 3.82Å; F120-F131 HydrophobicContact CG-CZ 4.43Å; F120-F131 HydrophobicContact CZ-CD1 4.44Å; H126-F131 HydrophobicContact CB-CE2 4.19Å; H126-F131 HydrophobicContact CB-CZ 4.03Å; I129-F131 HydrophobicContact CB-CE2 4.43Å; I129-F131 HydrophobicContact CB-CZ 4.36Å; I129-F131 HydrophobicContact CG2-CE1 4.16Å; I129-F131 HydrophobicContact CG2-CE2 4.23Å; I129-F131 HydrophobicContact CG2-CZ 4.01Å; I129-F131 WeakPolarHBondContact O-CE2 3.36Å; F131-L298 HydrophobicContact CE1-CD1 4.14Å
132	I	98.6	Very high	95.7	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.046	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.9	174.8	-54.5	-176	0	0	0	107.2	P90 I92 T102 L103 I104 F105 P134 E183	P90-I132 HydrophobicContact CB-CG2 3.65Å; P90-I132 HydrophobicContact CG-CG2 4.02Å; I92-I132 HydrophobicContact CD1-CB 4.1Å; I92-I132 HydrophobicContact CD1-CG1 3.84Å; I92-I132 HydrophobicContact CD1-CG2 3.85Å; T102-I132 HydrophobicContact CG2-CD1 3.77Å; T102-I132 HydrophobicContact CG2-CG1 3.89Å; L103-I132 PolarHBondContact O-N 3.46Å; I104-I132 CarbonylContact C-O 3.56Å; I104-I132 WeakPolarHBondContact CA-O 3.35Å; I104-I132 HydrophobicContact CG1-CB 4.13Å; I104-I132 HydrophobicContact CG1-CD1 4.18Å; F105-I132 PolarHBondContact N-O 3.2Å; I132-P134 VanDerWaalsContact O-CD 3.28Å; I132-P134 WeakPolarHBondContact O-CD 3.47Å; I132-E183 HydrophobicContact CD1-CG 3.9Å
133	C	98.5	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	89.5	179.2	-56	0	0	0	0	108.6	S91 G113 A117	S91-C133 PolarHBondContact N-O 3.11Å; S91-C133 PolarHBondContact O-N 3.08Å; G113-C133 WeakPolarHBondContact O-CB 3.29Å; A117-C133 HydrophobicContact CB-CB 4.2Å
134	P	98.4	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.			trans	-66.4	163.1	-177.8	28.8	-36.2	0	0	0	112.4	P90 F105 L106 H107 G113 I132 W152 Y175 L179	P90-P134 HydrophobicContact CB-CB 4.37Å; P90-P134 HydrophobicContact CG-CB 4.25Å; F105-P134 WeakPolarHBondContact O-CD 3.33Å; L106-P134 HydrophobicContact CD2-CG 4.06Å; H107-P134 PolarHBondContact CD2-O 3.23Å; G113-P134 WeakPolarHBondContact CA-O 3.28Å; G113-P134 PolarHBondContact N-O 3.38Å; I132-P134 VanDerWaalsContact O-CD 3.28Å; I132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-W152 HydrophobicContact CB-CH2 3.85Å; P134-W152 HydrophobicContact CG-CH2 3.7Å; P134-W152 HydrophobicContact CG-CZ2 4.27Å; P134-Y175 HydrophobicContact CB-CE1 3.92Å; P134-Y175 WeakPolarHBondContact CB-OH 3.37Å; P134-Y175 HydrophobicContact CG-CE1 4.37Å; P134-L179 HydrophobicContact CB-CD1 4.15Å; P134-L179 HydrophobicContact CG-CD1 4.06Å
135	H	98	Very high	96.8	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	20%	0.197	C	C	.	.			trans	-106.8	139.3	174	-61.6	-55.3	0	0	0	109.4	S86 N87 N89 S91 Q112 G113 H114	S86-H135 VanDerWaalsContact CA-O 3.28Å; S86-H135 WeakPolarHBondContact CA-O 3.49Å; N87-H135 HydrophobicContact CB-CB 4.2Å; N87-H135 PolarHBondContact N-O 2.86Å; N87-H135 WeakPolarHBondContact O-CB 3.39Å; N89-H135 PolarHBondContact O-CD2 3.41Å; N89-H135 PolarHBondContact O-NE2 3.06Å; S91-H135 PolarHBondContact OG-CE1 3.35Å; S91-H135 VanDerWaalsContact OG-CE1 3.27Å; S91-H135 PolarHBondContact OG-NE2 3.14Å; Q112-H135 PolarHBondContact OE1-ND1 3.43Å; G113-H135 PolarHBondContact N-ND1 2.96Å; H114-H135 AromaticContact CE1-CE1 3.24Å; H114-H135 PolarHBondContact CE1-CE1 2.88Å; H114-H135 AromaticContact CE1-NE2 3.63Å; H114-H135 AromaticContact CG-CE1 3.85Å; H114-H135 AromaticContact ND1-CE1 3.35Å; H114-H135 PolarHBondContact ND1-CE1 2.82Å; H114-H135 AromaticContact NE2-CE1 3.71Å; H114-H135 AromaticContact NE2-NE2 3.81Å
136	S	97.3	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-92.7	150.9	172.8	63.7	0	0	0	0	111.6	V85 N87 H107 Q112 P150 A151	V85-S136 WeakPolarHBondContact O-CA 3.48Å; N87-S136 WeakPolarHBondContact CB-O 2.97Å; H107-S136 PolarHBondContact CE1-OG 2.85Å; H107-S136 PolarHBondContact NE2-N 3.24Å; H107-S136 PolarHBondContact NE2-OG 3.32Å; Q112-S136 PolarHBondContact NE2-O 2.64Å; Q112-S136 VanDerWaalsContact OE1-N 3.16Å; S136-P150 WeakPolarHBondContact OG-CB 3.37Å; S136-A151 PolarHBondContact OG-N 3.46Å; S136-A151 VanDerWaalsContact OG-N 3.1Å
137	S	96.2	Very high	97.2	Very high	17 Å²	17	41 Å²	41	12%	0.119	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-68	149.4	168.1	-60.6	0	0	0	0	111.1	S83 V85 S86 A151	S83-S137 PolarHBondContact O-OG 2.75Å; V85-S137 PolarHBondContact O-N 3.1Å; S86-S137 PolarHBondContact N-OG 3.37Å; S86-S137 PolarHBondContact O-OG 3.47Å; S137-A151 PolarHBondContact O-N 2.89Å
138	E	96.4	Very high	97.2	Very high	112 Å²	112	44.5 Å²	44.5	52%	0.523	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.5	170.7	-65.7	-170.6	172.9	0	0	111.1	R148 M149 P150	E138-R148 PolarHBondContact O-NH2 2.84Å; E138-M149 WeakPolarHBondContact CA-O 3.5Å; E138-P150 HydrophobicContact CG-CG 4.3Å
139	R	96.2	Very high	97.2	Very high	37 Å²	37	43.4 Å²	43.4	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.7	175	67.1	-173.8	70.2	-175.2	11.3	111.3	A84 V141 R148 M149 A151 W152 F153	A84-R139 PolarHBondContact O-NH2 3.47Å; R139-V141 HydrophobicContact CG-CG2 4.43Å; R139-R148 VanDerWaalsContact O-CA 3.32Å; R139-R148 WeakPolarHBondContact O-CA 3.45Å; R139-M149 PolarHBondContact N-O 3.39Å; R139-M149 PolarHBondContact O-N 3.15Å; R139-M149 VanDerWaalsContact O-N 3.09Å; R139-A151 HydrophobicContact CG-CB 3.87Å; R139-A151 PolarHBondContact NE-O 2.95Å; R139-A151 PolarHBondContact NH2-O 3.21Å; R139-W152 VanDerWaalsContact NH1-C 3.3Å; R139-W152 PolarHBondContact NH1-O 3.3Å; R139-W152 PolarHBondContact NH2-O 2.97Å; R139-F153 VanDerWaalsContact NH1-CA 3.26Å
140	P	97.1	Very high	97.2	Very high	60 Å²	60	44.1 Å²	44.1	39%	0.39	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.5	168.6	-17.6	32.5	0	0	0	109.8	R148	P140-R148 HydrophobicContact CG-CG 4.31Å
141	V	97.7	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.8	176.8	178.4	0	0	0	0	109.4	L109 R139 L143 N144 G146 M147 M149 A151 D154 L155	L109-V141 HydrophobicContact CD1-CG1 4.3Å; L109-V141 HydrophobicContact CD1-CG2 3.93Å; L109-V141 HydrophobicContact CD2-CG1 4.32Å; R139-V141 HydrophobicContact CG-CG2 4.43Å; V141-L143 HydrophobicContact CG1-CB 4.22Å; V141-L143 PolarHBondContact O-N 3.02Å; V141-N144 HydrophobicContact CB-CB 4.44Å; V141-N144 HydrophobicContact CG1-CB 4.44Å; V141-N144 CarbonylContact O-C 3.22Å; V141-N144 WeakPolarHBondContact O-CA 3.45Å; V141-N144 PolarHBondContact O-N 3.41Å; V141-G146 WeakPolarHBondContact O-CA 3.38Å; V141-G146 PolarHBondContact O-N 3.43Å; V141-M147 PolarHBondContact N-O 3.37Å; V141-M149 HydrophobicContact CG2-CG 3.84Å; V141-M149 HydrophobicContact CG2-SD 4.46Å; V141-A151 HydrophobicContact CG2-CB 3.87Å; V141-D154 VanDerWaalsContact CA-OD1 3.32Å; V141-D154 WeakPolarHBondContact CA-OD1 3.07Å; V141-L155 HydrophobicContact CG1-CB 4.19Å
142	T	97.5	Very high	97.2	Very high	72 Å²	72	42.5 Å²	42.5	44%	0.442	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-59.7	-43.2	-174.3	-68.3	0	0	0	0	112	N144 M145 D154 F156	T142-N144 PolarHBondContact O-N 2.69Å; T142-N144 VanDerWaalsContact O-N 3.1Å; T142-M145 PolarHBondContact O-N 2.95Å; T142-D154 PolarHBondContact N-OD1 3.3Å; T142-D154 PolarHBondContact OG1-OD2 2.91Å; T142-F156 HydrophobicContact CG2-CD1 4.07Å
143	L	95.8	Very high	97.1	Very high	45 Å²	45	42.1 Å²	42.1	24%	0.236	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-53.4	-33.1	175	179.2	69.4	0	0	0	112.3	V141 L155 L158	V141-L143 HydrophobicContact CG1-CB 4.22Å; V141-L143 PolarHBondContact O-N 3.02Å; L143-L155 HydrophobicContact CB-CB 4.44Å; L143-L155 WeakPolarHBondContact CB-O 3.5Å; L143-L155 HydrophobicContact CD2-CD2 3.61Å; L143-L155 HydrophobicContact CD2-CG 4.09Å; L143-L155 PolarHBondContact N-O 3.21Å; L143-L158 HydrophobicContact CD2-CD1 3.75Å; L143-L158 HydrophobicContact CD2-CG 3.89Å
144	N	95.9	Very high	97.1	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.123	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-103.2	35.6	-179.1	-67.6	-23.4	0	0	0	111.9	V141 T142 G146 M147 M149	V141-N144 HydrophobicContact CB-CB 4.44Å; V141-N144 HydrophobicContact CG1-CB 4.44Å; V141-N144 CarbonylContact O-C 3.22Å; V141-N144 WeakPolarHBondContact O-CA 3.45Å; V141-N144 PolarHBondContact O-N 3.41Å; T142-N144 PolarHBondContact O-N 2.69Å; T142-N144 VanDerWaalsContact O-N 3.1Å; N144-G146 PolarHBondContact O-N 3.26Å; N144-G146 VanDerWaalsContact O-N 3.16Å; N144-M147 HydrophobicContact CB-CB 4.29Å; N144-M147 VanDerWaalsContact O-CB 3.28Å; N144-M147 WeakPolarHBondContact O-CB 3.46Å; N144-M147 PolarHBondContact O-N 3.49Å; N144-M149 HydrophobicContact CB-CE 3.75Å; N144-M149 VanDerWaalsContact ND2-CE 3.27Å; N144-M149 WeakPolarHBondContact ND2-CE 3.42Å; N144-M149 PolarHBondContact ND2-SD 3.4Å
145	M	96.1	Very high	97	Very high	185 Å²	185	44.1 Å²	44.1	91%	0.911	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.3	176.2	-53.7	-64.3	179.7	0	0	113.4	T142 M147	T142-M145 PolarHBondContact O-N 2.95Å; M145-M147 VanDerWaalsContact C-N 3.31Å; M145-M147 PolarHBondContact O-N 3.48Å
146	G	96.3	Very high	96.9	Very high	36 Å²	36	46.9 Å²	46.9	37%	0.371	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	8.1	179.5	0	0	0	0	0	114.8	V141 N144 R148	V141-G146 WeakPolarHBondContact O-CA 3.38Å; V141-G146 PolarHBondContact O-N 3.43Å; N144-G146 PolarHBondContact O-N 3.26Å; N144-G146 VanDerWaalsContact O-N 3.16Å; G146-R148 PolarHBondContact O-N 3.06Å
147	M	96.4	Very high	96.6	Very high	99 Å²	99	47.5 Å²	47.5	49%	0.488	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	132.5	173.7	-176.4	-179.4	-65.8	0	0	110.2	L21 V141 N144 M145 M149	L21-M147 HydrophobicContact CD2-SD 3.89Å; V141-M147 PolarHBondContact N-O 3.37Å; N144-M147 HydrophobicContact CB-CB 4.29Å; N144-M147 VanDerWaalsContact O-CB 3.28Å; N144-M147 WeakPolarHBondContact O-CB 3.46Å; N144-M147 PolarHBondContact O-N 3.49Å; M145-M147 VanDerWaalsContact C-N 3.31Å; M145-M147 PolarHBondContact O-N 3.48Å; M147-M149 HydrophobicContact CB-CE 3.75Å; M147-M149 HydrophobicContact CG-CE 3.63Å; M147-M149 HydrophobicContact SD-CE 3.57Å; M147-M149 VanDerWaalsContact SD-CE 3.57Å
148	R	97.4	Very high	96.2	Very high	151 Å²	151	49.5 Å²	49.5	57%	0.57	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.1	176.3	-63.5	-168.9	73.3	93.4	2.5	110.2	E138 R139 P140 G146	E138-R148 PolarHBondContact O-NH2 2.84Å; R139-R148 VanDerWaalsContact O-CA 3.32Å; R139-R148 WeakPolarHBondContact O-CA 3.45Å; P140-R148 HydrophobicContact CG-CG 4.31Å; G146-R148 PolarHBondContact O-N 3.06Å
149	M	97.2	Very high	95.9	Very high	19 Å²	19	48 Å²	48	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	164.2	175.7	61.7	-170.3	70.5	0	0	110.2	L109 E138 R139 V141 N144 M147 A151	L109-M149 HydrophobicContact CD1-CG 3.96Å; L109-M149 HydrophobicContact CD1-SD 3.83Å; L109-M149 HydrophobicContact CD2-SD 4.39Å; L109-M149 HydrophobicContact CG-SD 4Å; E138-M149 WeakPolarHBondContact CA-O 3.5Å; R139-M149 PolarHBondContact N-O 3.39Å; R139-M149 PolarHBondContact O-N 3.15Å; R139-M149 VanDerWaalsContact O-N 3.09Å; V141-M149 HydrophobicContact CG2-CG 3.84Å; V141-M149 HydrophobicContact CG2-SD 4.46Å; N144-M149 HydrophobicContact CB-CE 3.75Å; N144-M149 VanDerWaalsContact ND2-CE 3.27Å; N144-M149 WeakPolarHBondContact ND2-CE 3.42Å; N144-M149 PolarHBondContact ND2-SD 3.4Å; M147-M149 HydrophobicContact CB-CE 3.75Å; M147-M149 HydrophobicContact CG-CE 3.63Å; M147-M149 HydrophobicContact SD-CE 3.57Å; M147-M149 VanDerWaalsContact SD-CE 3.57Å; M149-A151 PolarHBondContact O-N 3.39Å
150	P	97.6	Very high	95.4	Very high	15 Å²	15	48 Å²	48	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	121.2	172.7	-27.6	36.4	0	0	0	111.8	G110 D111 Q112 S136 E138	G110-P150 PolarHBondContact N-O 2.84Å; D111-P150 WeakPolarHBondContact O-CB 3.41Å; Q112-P150 HydrophobicContact CG-CG 4.31Å; S136-P150 WeakPolarHBondContact OG-CB 3.37Å; E138-P150 HydrophobicContact CG-CG 4.3Å
151	A	98.1	Very high	95	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.			trans	-153.9	150.7	175.7	0	0	0	0	0	111.3	L109 S136 S137 R139 V141 M149 M200	L109-A151 HydrophobicContact CD1-CB 3.65Å; S136-A151 PolarHBondContact OG-N 3.46Å; S136-A151 VanDerWaalsContact OG-N 3.1Å; S137-A151 PolarHBondContact O-N 2.89Å; R139-A151 HydrophobicContact CG-CB 3.87Å; R139-A151 PolarHBondContact NE-O 2.95Å; R139-A151 PolarHBondContact NH2-O 3.21Å; V141-A151 HydrophobicContact CG2-CB 3.87Å; M149-A151 PolarHBondContact O-N 3.39Å; A151-M200 HydrophobicContact CB-CE 4.33Å; A151-M200 HydrophobicContact CB-SD 4.06Å
152	W	98.2	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-82.2	-33.1	179.4	-59	110.4	0	0	0	113.4	V85 L106 H107 P134 R139 A172 Y175 M200 L204	V85-W152 HydrophobicContact CG1-CE3 4.06Å; V85-W152 HydrophobicContact CG1-CZ3 4.46Å; L106-W152 HydrophobicContact CB-CZ2 4.21Å; L106-W152 HydrophobicContact CD2-CD2 4Å; L106-W152 HydrophobicContact CD2-CE3 4.17Å; L106-W152 HydrophobicContact CD2-CH2 3.85Å; L106-W152 HydrophobicContact CD2-CZ2 3.61Å; L106-W152 HydrophobicContact CD2-CZ3 4.11Å; H107-W152 AromaticContact CD2-CZ2 3.35Å; H107-W152 WeakPolarHBondContact CD2-CZ2 3.42Å; H107-W152 AromaticContact NE2-CE2 3.85Å; H107-W152 AromaticContact NE2-CH2 3.95Å; H107-W152 AromaticContact NE2-CZ2 3.37Å; H107-W152 WeakPolarHBondContact NE2-CZ2 3.49Å; H107-W152 PolarHBondContact O-NE1 3.26Å; P134-W152 HydrophobicContact CB-CH2 3.85Å; P134-W152 HydrophobicContact CG-CH2 3.7Å; P134-W152 HydrophobicContact CG-CZ2 4.27Å; R139-W152 VanDerWaalsContact NH1-C 3.3Å; R139-W152 PolarHBondContact NH1-O 3.3Å; R139-W152 PolarHBondContact NH2-O 2.97Å; W152-A172 HydrophobicContact CB-CB 4.29Å; W152-A172 WeakPolarHBondContact O-CB 3.4Å; W152-Y175 HydrophobicContact CZ3-CD1 4.22Å; W152-Y175 AromaticContact CZ3-CE1 3.87Å; W152-Y175 HydrophobicContact CZ3-CE1 3.87Å; W152-M200 HydrophobicContact CB-SD 4.24Å; W152-L204 HydrophobicContact CB-CD2 3.73Å; W152-L204 HydrophobicContact CD2-CD2 4.25Å; W152-L204 HydrophobicContact CG-CD2 3.87Å
153	F	97.6	Very high	94.7	Very high	2 Å²	2	57 Å²	57	1%	0.009	30%	0.297	C	S	.	.	S	Bend	trans	-152.6	165.7	178.3	56.5	-89.8	0	0	0	108.8	R139 L155 I169 M200 L204 L227	R139-F153 VanDerWaalsContact NH1-CA 3.26Å; F153-L155 HydrophobicContact CE2-CD1 4.26Å; F153-I169 HydrophobicContact CB-CG1 4.02Å; F153-I169 HydrophobicContact CD1-CG1 3.9Å; F153-I169 HydrophobicContact CD2-CD1 4.12Å; F153-I169 HydrophobicContact CD2-CG1 3.59Å; F153-I169 HydrophobicContact CE1-CG1 4.25Å; F153-I169 HydrophobicContact CE2-CD1 4.18Å; F153-I169 HydrophobicContact CE2-CG1 3.97Å; F153-I169 HydrophobicContact CG-CG1 3.56Å; F153-I169 HydrophobicContact CZ-CG1 4.28Å; F153-M200 HydrophobicContact CD1-CG 4.24Å; F153-M200 HydrophobicContact CD1-SD 4.44Å; F153-M200 HydrophobicContact CE1-CG 3.5Å; F153-M200 HydrophobicContact CE1-SD 4.26Å; F153-M200 HydrophobicContact CE2-CE 4.41Å; F153-M200 HydrophobicContact CE2-CG 4.34Å; F153-M200 HydrophobicContact CZ-CG 3.57Å; F153-M200 HydrophobicContact CZ-SD 4.44Å; F153-L204 HydrophobicContact CE1-CB 4.22Å; F153-L227 HydrophobicContact CE1-CD1 3.86Å; F153-L227 HydrophobicContact CE2-CD1 4.46Å; F153-L227 HydrophobicContact CE2-CD2 4.24Å; F153-L227 HydrophobicContact CZ-CD1 3.65Å; F153-L227 HydrophobicContact CZ-CD2 3.98Å; F153-L227 HydrophobicContact CZ-CG 4.45Å
154	D	97.5	Very high	94.7	Very high	29 Å²	29	57.3 Å²	57.3	16%	0.155	30%	0.297	C	S	.	.			trans	-75	136.3	176.1	-166.9	5.9	0	0	0	110.6	V141 T142 F156 D165	V141-D154 VanDerWaalsContact CA-OD1 3.32Å; V141-D154 WeakPolarHBondContact CA-OD1 3.07Å; T142-D154 PolarHBondContact N-OD1 3.3Å; T142-D154 PolarHBondContact OG1-OD2 2.91Å; D154-F156 HydrophobicContact CB-CD1 4.48Å; D154-F156 HydrophobicContact CB-CE1 3.92Å; D154-F156 VanDerWaalsContact OD2-CE1 3.28Å; D154-F156 WeakPolarHBondContact OD2-CE1 3.18Å; D154-D165 HydrophobicContact CB-CB 4.17Å; D154-D165 PolarHBondContact N-OD2 2.88Å; D154-D165 WeakPolarHBondContact O-CB 3.48Å
155	L	95.8	Very high	94.8	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-107.7	114.2	179	-167.1	62.4	0	0	0	108	L109 V141 L143 F153 L158 M200 F225	L109-L155 HydrophobicContact CD2-CD2 4.32Å; V141-L155 HydrophobicContact CG1-CB 4.19Å; L143-L155 HydrophobicContact CB-CB 4.44Å; L143-L155 WeakPolarHBondContact CB-O 3.5Å; L143-L155 HydrophobicContact CD2-CD2 3.61Å; L143-L155 HydrophobicContact CD2-CG 4.09Å; L143-L155 PolarHBondContact N-O 3.21Å; F153-L155 HydrophobicContact CE2-CD1 4.26Å; L155-L158 HydrophobicContact CD1-CD2 4.36Å; L155-L158 HydrophobicContact CD2-CD1 4.31Å; L155-L158 HydrophobicContact CD2-CD2 3.88Å; L155-L158 HydrophobicContact CD2-CG 3.94Å; L155-M200 HydrophobicContact CB-CE 3.73Å; L155-M200 HydrophobicContact CD2-CE 3.99Å; L155-M200 HydrophobicContact CG-CE 4.33Å; L155-F225 HydrophobicContact CD1-CZ 4.13Å
156	F	96.1	Very high	94.8	Very high	70 Å²	70	53.4 Å²	53.4	31%	0.307	28%	0.277	S	S	.	.			trans	-85.9	-29.4	-179.2	-53.6	-34.4	0	0	0	112.6	T142 D154 Q163 D165	T142-F156 HydrophobicContact CG2-CD1 4.07Å; D154-F156 HydrophobicContact CB-CD1 4.48Å; D154-F156 HydrophobicContact CB-CE1 3.92Å; D154-F156 VanDerWaalsContact OD2-CE1 3.28Å; D154-F156 WeakPolarHBondContact OD2-CE1 3.18Å; F156-Q163 HydrophobicContact CD2-CB 3.9Å; F156-Q163 HydrophobicContact CD2-CG 3.85Å; F156-Q163 VanDerWaalsContact CD2-O 3.23Å; F156-Q163 WeakPolarHBondContact CD2-O 3.41Å; F156-Q163 HydrophobicContact CE2-CG 4.02Å; F156-D165 HydrophobicContact CE1-CB 4.39Å; F156-D165 HydrophobicContact CE2-CB 4.11Å; F156-D165 HydrophobicContact CZ-CB 3.78Å
157	G	92.4	Very high	94.8	Very high	14 Å²	14	57.7 Å²	57.7	14%	0.144	29%	0.287	C	S	.	.			trans	-163.7	161.5	-175.7	0	0	0	0	0	111.7
158	L	87.7	Confident	94.9	Very high	58 Å²	58	53.1 Å²	53.1	30%	0.304	27%	0.265	S	S	.	.	S	Bend	trans	-121.2	60	170.9	-78.4	174.5	0	0	0	109.6	L143 L155 F225 F259	L143-L158 HydrophobicContact CD2-CD1 3.75Å; L143-L158 HydrophobicContact CD2-CG 3.89Å; L155-L158 HydrophobicContact CD1-CD2 4.36Å; L155-L158 HydrophobicContact CD2-CD1 4.31Å; L155-L158 HydrophobicContact CD2-CD2 3.88Å; L155-L158 HydrophobicContact CD2-CG 3.94Å; L158-F225 HydrophobicContact CD2-CD1 4.4Å; L158-F225 HydrophobicContact CD2-CE1 3.75Å; L158-F225 HydrophobicContact CD2-CZ 4.01Å; L158-F259 WeakPolarHBondContact O-CE2 3.5Å; L158-F259 WeakPolarHBondContact O-CZ 3.24Å
159	D	89.4	Confident	94.9	Very high	81 Å²	81	45.9 Å²	45.9	43%	0.433	24%	0.238	S	C	.	.	S	Bend	trans	-134.7	158.4	170.3	78.3	85.2	0	0	0	110.4	N161 A162	D159-N161 PolarHBondContact O-N 3.1Å; D159-N161 WeakPolarHBondContact OD1-CA 2.97Å; D159-N161 PolarHBondContact OD1-N 3.06Å; D159-A162 WeakPolarHBondContact O-CB 3.15Å; D159-A162 PolarHBondContact O-N 3.03Å; D159-A162 VanDerWaalsContact O-N 3.14Å; D159-A162 PolarHBondContact OD1-N 3.25Å; D159-A162 VanDerWaalsContact OD1-N 3.11Å; D159-A162 WeakPolarHBondContact OD2-CB 3.49Å
160	P	85	Confident	94.9	Very high	36 Å²	36	47.6 Å²	47.6	23%	0.234	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.4	-175.7	-23.4	35.2	0	0	0	114.9	R229 F259 M262	P160-R229 PolarHBondContact O-NH2 3.25Å; P160-F259 HydrophobicContact CG-CD1 4.14Å; P160-F259 HydrophobicContact CG-CE1 3.57Å; P160-F259 HydrophobicContact CG-CZ 4.03Å; P160-M262 HydrophobicContact CB-CE 3.85Å; P160-M262 HydrophobicContact CB-SD 4.43Å; P160-M262 HydrophobicContact CG-CE 4.22Å; P160-M262 HydrophobicContact CG-SD 4.16Å
161	N	90.2	Very high	94.8	Very high	151 Å²	151	52 Å²	52	81%	0.807	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	5.9	179.1	-55.5	-59.5	0	0	0	112.6	D159 Q163	D159-N161 PolarHBondContact O-N 3.1Å; D159-N161 WeakPolarHBondContact OD1-CA 2.97Å; D159-N161 PolarHBondContact OD1-N 3.06Å; N161-Q163 PolarHBondContact O-N 2.84Å
162	A	92.1	Very high	94.8	Very high	24 Å²	24	52 Å²	52	20%	0.198	26%	0.262	C	S	.	.			trans	-55.4	138	176.2	0	0	0	0	0	110.3	D159	D159-A162 WeakPolarHBondContact O-CB 3.15Å; D159-A162 PolarHBondContact O-N 3.03Å; D159-A162 VanDerWaalsContact O-N 3.14Å; D159-A162 PolarHBondContact OD1-N 3.25Å; D159-A162 VanDerWaalsContact OD1-N 3.11Å; D159-A162 WeakPolarHBondContact OD2-CB 3.49Å
163	Q	95.1	Very high	94.8	Very high	147 Å²	147	52.4 Å²	52.4	69%	0.687	26%	0.264	S	S	*	.			trans	-60.2	145.2	168.3	-176.9	-178.7	-44.6	0	0	109.1	F156 N161	F156-Q163 HydrophobicContact CD2-CB 3.9Å; F156-Q163 HydrophobicContact CD2-CG 3.85Å; F156-Q163 VanDerWaalsContact CD2-O 3.23Å; F156-Q163 WeakPolarHBondContact CD2-O 3.41Å; F156-Q163 HydrophobicContact CE2-CG 4.02Å; N161-Q163 PolarHBondContact O-N 2.84Å
164	E	97	Very high	94.8	Very high	51 Å²	51	56.9 Å²	56.9	24%	0.238	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-109.3	144.8	177.9	-64.4	178.4	171.4	0	0	111	E166 I169 L227 Q228	E164-E166 PolarHBondContact O-N 3.4Å; E164-I169 HydrophobicContact CB-CD1 3.88Å; E164-L227 WeakPolarHBondContact OE1-CA 3.47Å; E164-Q228 VanDerWaalsContact CD-N 3.29Å; E164-Q228 PolarHBondContact OE1-N 3.03Å; E164-Q228 VanDerWaalsContact OE2-CA 3.23Å; E164-Q228 WeakPolarHBondContact OE2-CA 3.43Å; E164-Q228 VanDerWaalsContact OE2-CD 3.25Å; E164-Q228 VanDerWaalsContact OE2-CG 3.29Å; E164-Q228 WeakPolarHBondContact OE2-CG 3.25Å; E164-Q228 PolarHBondContact OE2-N 3.4Å; E164-Q228 PolarHBondContact OE2-NE2 2.77Å
165	D	97.1	Very high	94.8	Very high	30 Å²	30	56.2 Å²	56.2	16%	0.16	28%	0.281	C	S	.	.			trans	-73.5	76.2	171.1	176.1	16.1	0	0	0	110.4	D154 F156 Q167 G168 I169	D154-D165 HydrophobicContact CB-CB 4.17Å; D154-D165 PolarHBondContact N-OD2 2.88Å; D154-D165 WeakPolarHBondContact O-CB 3.48Å; F156-D165 HydrophobicContact CE1-CB 4.39Å; F156-D165 HydrophobicContact CE2-CB 4.11Å; F156-D165 HydrophobicContact CZ-CB 3.78Å; D165-Q167 PolarHBondContact O-N 2.98Å; D165-G168 PolarHBondContact O-N 3.22Å; D165-G168 PolarHBondContact OD1-N 2.81Å; D165-G168 VanDerWaalsContact OD2-CA 3.28Å; D165-G168 WeakPolarHBondContact OD2-CA 3.43Å; D165-I169 WeakPolarHBondContact O-CB 3.06Å; D165-I169 WeakPolarHBondContact O-CD1 3.35Å; D165-I169 VanDerWaalsContact O-CG1 3.24Å; D165-I169 WeakPolarHBondContact O-CG1 3.4Å; D165-I169 PolarHBondContact O-N 2.92Å
166	E	96.7	Very high	95	Very high	96 Å²	96	55.6 Å²	55.6	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-53.4	-41.6	-176.5	177.6	172.2	-172.6	0	0	112.3	E164 N170 K231	E164-E166 PolarHBondContact O-N 3.4Å; E166-N170 WeakPolarHBondContact O-CB 3.43Å; E166-N170 PolarHBondContact O-N 2.92Å; E166-N170 PolarHBondContact O-ND2 3.45Å; E166-K231 WeakPolarHBondContact OE1-CE 3.32Å; E166-K231 IonicContact OE1-NZ 2.86Å; E166-K231 PolarHBondContact OE1-NZ 2.95Å
167	Q	96.5	Very high	95.1	Very high	127 Å²	127	53.8 Å²	53.8	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-68.8	-44.7	-179.2	-63.5	-173	16.4	0	0	111.8	D165 N170 R171	D165-Q167 PolarHBondContact O-N 2.98Å; Q167-N170 PolarHBondContact O-N 3.07Å; Q167-R171 WeakPolarHBondContact O-CG 3.44Å; Q167-R171 PolarHBondContact O-N 3.35Å
168	G	97.2	Very high	95.3	Very high	2 Å²	2	56 Å²	56	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-41.7	176.6	0	0	0	0	0	112.5	D165 N170 R171 A172	D165-G168 PolarHBondContact O-N 3.22Å; D165-G168 PolarHBondContact OD1-N 2.81Å; D165-G168 VanDerWaalsContact OD2-CA 3.28Å; D165-G168 WeakPolarHBondContact OD2-CA 3.43Å; G168-N170 VanDerWaalsContact C-N 3.34Å; G168-N170 PolarHBondContact O-N 3.18Å; G168-R171 PolarHBondContact O-N 3.23Å; G168-A172 WeakPolarHBondContact O-CB 3.22Å; G168-A172 PolarHBondContact O-N 3.36Å
169	I	97.9	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-44.9	175.5	-67.4	164.3	0	0	0	110.3	F153 E164 D165 A172 T173 Y207 L227 Q228	F153-I169 HydrophobicContact CB-CG1 4.02Å; F153-I169 HydrophobicContact CD1-CG1 3.9Å; F153-I169 HydrophobicContact CD2-CD1 4.12Å; F153-I169 HydrophobicContact CD2-CG1 3.59Å; F153-I169 HydrophobicContact CE1-CG1 4.25Å; F153-I169 HydrophobicContact CE2-CD1 4.18Å; F153-I169 HydrophobicContact CE2-CG1 3.97Å; F153-I169 HydrophobicContact CG-CG1 3.56Å; F153-I169 HydrophobicContact CZ-CG1 4.28Å; E164-I169 HydrophobicContact CB-CD1 3.88Å; D165-I169 WeakPolarHBondContact O-CB 3.06Å; D165-I169 WeakPolarHBondContact O-CD1 3.35Å; D165-I169 VanDerWaalsContact O-CG1 3.24Å; D165-I169 WeakPolarHBondContact O-CG1 3.4Å; D165-I169 PolarHBondContact O-N 2.92Å; I169-A172 PolarHBondContact O-N 3.12Å; I169-T173 VanDerWaalsContact O-CB 3.31Å; I169-T173 WeakPolarHBondContact O-CB 3.48Å; I169-T173 PolarHBondContact O-N 3.45Å; I169-T173 PolarHBondContact O-OG1 2.88Å; I169-Y207 HydrophobicContact CG2-CD1 3.74Å; I169-Y207 HydrophobicContact CG2-CE1 3.83Å; I169-Y207 HydrophobicContact CG2-CG 4.49Å; I169-L227 HydrophobicContact CD1-CD1 4.12Å; I169-L227 HydrophobicContact CD1-CD2 4.06Å; I169-L227 HydrophobicContact CD1-CG 4.47Å; I169-L227 HydrophobicContact CG1-CD1 4.2Å; I169-L227 HydrophobicContact CG2-CD1 4.18Å; I169-Q228 HydrophobicContact CD1-CG 4.31Å; I169-Q228 HydrophobicContact CG2-CG 4.19Å
170	N	96.9	Very high	96.3	Very high	55 Å²	55	50.6 Å²	50.6	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-43.8	178	-72.1	-22.6	0	0	0	112	E166 Q167 G168 T173 Q174	E166-N170 WeakPolarHBondContact O-CB 3.43Å; E166-N170 PolarHBondContact O-N 2.92Å; E166-N170 PolarHBondContact O-ND2 3.45Å; Q167-N170 PolarHBondContact O-N 3.07Å; G168-N170 VanDerWaalsContact C-N 3.34Å; G168-N170 PolarHBondContact O-N 3.18Å; N170-T173 WeakPolarHBondContact O-CB 3.31Å; N170-T173 PolarHBondContact O-N 3.45Å; N170-Q174 WeakPolarHBondContact O-CG 3.4Å; N170-Q174 PolarHBondContact O-N 3.33Å
171	R	97	Very high	96.9	Very high	108 Å²	108	52.5 Å²	52.5	41%	0.408	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-44.6	175.8	-69.2	178.8	-164.3	106.5	3	111.6	V85 Q167 G168 T173 Q174 Y175	V85-R171 HydrophobicContact CG2-CB 4.05Å; Q167-R171 WeakPolarHBondContact O-CG 3.44Å; Q167-R171 PolarHBondContact O-N 3.35Å; G168-R171 PolarHBondContact O-N 3.23Å; R171-T173 VanDerWaalsContact C-N 3.3Å; R171-T173 PolarHBondContact O-N 2.87Å; R171-Q174 PolarHBondContact O-N 3.2Å; R171-Y175 PolarHBondContact O-N 2.9Å; R171-Y175 VanDerWaalsContact O-N 3.12Å
172	A	98	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-34.8	178.3	0	0	0	0	0	112.3	V85 W152 G168 I169 Y175 V176 L204	V85-A172 HydrophobicContact CG1-CB 4.11Å; W152-A172 HydrophobicContact CB-CB 4.29Å; W152-A172 WeakPolarHBondContact O-CB 3.4Å; G168-A172 WeakPolarHBondContact O-CB 3.22Å; G168-A172 PolarHBondContact O-N 3.36Å; I169-A172 PolarHBondContact O-N 3.12Å; A172-Y175 WeakPolarHBondContact O-CB 3.39Å; A172-Y175 PolarHBondContact O-N 3.3Å; A172-V176 WeakPolarHBondContact O-CG2 3.49Å; A172-V176 PolarHBondContact O-N 3.05Å; A172-V176 VanDerWaalsContact O-N 3.07Å; A172-L204 HydrophobicContact CB-CD1 3.91Å; A172-L204 HydrophobicContact CB-CD2 3.59Å; A172-L204 HydrophobicContact CB-CG 4.43Å
173	T	98.3	Very high	97.6	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.043	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-43.7	174.4	-60.7	0	0	0	0	111.3	I169 N170 R171 Y175 V176 H177 Y207 A208	I169-T173 VanDerWaalsContact O-CB 3.31Å; I169-T173 WeakPolarHBondContact O-CB 3.48Å; I169-T173 PolarHBondContact O-N 3.45Å; I169-T173 PolarHBondContact O-OG1 2.88Å; N170-T173 WeakPolarHBondContact O-CB 3.31Å; N170-T173 PolarHBondContact O-N 3.45Å; R171-T173 VanDerWaalsContact C-N 3.3Å; R171-T173 PolarHBondContact O-N 2.87Å; T173-Y175 VanDerWaalsContact C-N 3.33Å; T173-Y175 PolarHBondContact O-N 3.33Å; T173-V176 PolarHBondContact O-N 3.21Å; T173-H177 PolarHBondContact O-CD2 3.41Å; T173-H177 PolarHBondContact O-N 3.02Å; T173-Y207 HydrophobicContact CG2-CD1 4.28Å; T173-Y207 HydrophobicContact CG2-CE1 4.25Å; T173-Y207 VanDerWaalsContact OG1-CD1 3.26Å; T173-Y207 WeakPolarHBondContact OG1-CD1 3.29Å; T173-Y207 WeakPolarHBondContact OG1-CE1 3.39Å; T173-A208 HydrophobicContact CG2-CB 3.91Å
174	Q	97.6	Very high	97.8	Very high	96 Å²	96	42.6 Å²	42.6	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-42.9	175.1	-73.1	172.5	-20.9	0	0	111.8	N170 R171 V176 H177 Q178	N170-Q174 WeakPolarHBondContact O-CG 3.4Å; N170-Q174 PolarHBondContact O-N 3.33Å; R171-Q174 PolarHBondContact O-N 3.2Å; Q174-V176 VanDerWaalsContact C-N 3.35Å; Q174-V176 PolarHBondContact O-N 3.15Å; Q174-H177 PolarHBondContact O-N 2.83Å; Q174-Q178 WeakPolarHBondContact O-CG 3.41Å; Q174-Q178 PolarHBondContact O-N 2.86Å
175	Y	97.8	Very high	97.9	Very high	15 Å²	15	44.5 Å²	44.5	6%	0.059	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-45	174.1	173.3	-113.2	0	0	0	112.2	M82 V85 S86 P134 W152 R171 A172 T173 H177 Q178 L179	M82-Y175 HydrophobicContact SD-CD2 3.62Å; M82-Y175 HydrophobicContact SD-CG 4.15Å; V85-Y175 HydrophobicContact CG1-CD1 3.86Å; V85-Y175 HydrophobicContact CG1-CG 4.01Å; S86-Y175 WeakPolarHBondContact CB-OH 3.35Å; P134-Y175 HydrophobicContact CB-CE1 3.92Å; P134-Y175 WeakPolarHBondContact CB-OH 3.37Å; P134-Y175 HydrophobicContact CG-CE1 4.37Å; W152-Y175 HydrophobicContact CZ3-CD1 4.22Å; W152-Y175 AromaticContact CZ3-CE1 3.87Å; W152-Y175 HydrophobicContact CZ3-CE1 3.87Å; R171-Y175 PolarHBondContact O-N 2.9Å; R171-Y175 VanDerWaalsContact O-N 3.12Å; A172-Y175 WeakPolarHBondContact O-CB 3.39Å; A172-Y175 PolarHBondContact O-N 3.3Å; T173-Y175 VanDerWaalsContact C-N 3.33Å; T173-Y175 PolarHBondContact O-N 3.33Å; Y175-H177 VanDerWaalsContact C-N 3.35Å; Y175-H177 PolarHBondContact O-N 2.9Å; Y175-Q178 PolarHBondContact O-N 2.87Å; Y175-L179 HydrophobicContact CD1-CD1 4.33Å; Y175-L179 HydrophobicContact CE1-CD1 3.73Å; Y175-L179 HydrophobicContact CE1-CG 4.42Å; Y175-L179 HydrophobicContact CE2-CD1 4.42Å; Y175-L179 HydrophobicContact CE2-CD2 4.33Å; Y175-L179 HydrophobicContact CE2-CG 4.29Å; Y175-L179 WeakPolarHBondContact O-CG 3.09Å; Y175-L179 PolarHBondContact O-N 3.29Å
176	V	98.5	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-42	176.1	175.3	0	0	0	0	111.5	L106 A172 T173 Q174 Q178 L179 I180 V195 L204 A208	L106-V176 HydrophobicContact CD1-CG2 3.88Å; L106-V176 HydrophobicContact CD2-CG2 3.83Å; L106-V176 HydrophobicContact CG-CG2 4.43Å; A172-V176 WeakPolarHBondContact O-CG2 3.49Å; A172-V176 PolarHBondContact O-N 3.05Å; A172-V176 VanDerWaalsContact O-N 3.07Å; T173-V176 PolarHBondContact O-N 3.21Å; Q174-V176 VanDerWaalsContact C-N 3.35Å; Q174-V176 PolarHBondContact O-N 3.15Å; V176-Q178 VanDerWaalsContact C-N 3.34Å; V176-Q178 PolarHBondContact O-N 3.31Å; V176-L179 WeakPolarHBondContact O-CB 3.18Å; V176-L179 PolarHBondContact O-N 3.05Å; V176-I180 HydrophobicContact CG1-CD1 4.22Å; V176-I180 WeakPolarHBondContact O-CG1 3.37Å; V176-I180 PolarHBondContact O-N 2.93Å; V176-V195 HydrophobicContact CG1-CG2 3.71Å; V176-L204 HydrophobicContact CG2-CD2 4.14Å; V176-L204 HydrophobicContact CG2-CG 4.3Å; V176-A208 HydrophobicContact CB-CB 3.96Å; V176-A208 HydrophobicContact CG1-CB 3.7Å; V176-A208 HydrophobicContact CG2-CB 4.48Å
177	H	98.5	Very high	97.9	Very high	31 Å²	31	44.7 Å²	44.7	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-41.8	175.7	-69	-176.3	0	0	0	111.5	T173 Q174 Y175 L179 I180 D181 A208 Y212	T173-H177 PolarHBondContact O-CD2 3.41Å; T173-H177 PolarHBondContact O-N 3.02Å; Q174-H177 PolarHBondContact O-N 2.83Å; Y175-H177 VanDerWaalsContact C-N 3.35Å; Y175-H177 PolarHBondContact O-N 2.9Å; H177-L179 VanDerWaalsContact C-N 3.33Å; H177-L179 PolarHBondContact O-N 3.38Å; H177-I180 WeakPolarHBondContact O-CB 3.4Å; H177-I180 PolarHBondContact O-N 3.32Å; H177-I180 VanDerWaalsContact O-N 3.11Å; H177-D181 VanDerWaalsContact O-CG 3.24Å; H177-D181 PolarHBondContact O-N 3.37Å; H177-A208 PolarHBondContact NE2-O 3.37Å; H177-Y212 HydrophobicContact CB-CD2 4.11Å; H177-Y212 HydrophobicContact CB-CE2 4.25Å; H177-Y212 AromaticContact CD2-CD2 3.57Å; H177-Y212 AromaticContact CG-CD2 3.72Å; H177-Y212 AromaticContact NE2-CD2 3.93Å
178	Q	97.9	Very high	98	Very high	61 Å²	61	39.3 Å²	39.3	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-38.5	174.8	-72.5	177.7	-1	0	0	112.7	D78 M82 Q174 Y175 V176 I180 D181 A182	D78-Q178 PolarHBondContact OD1-NE2 3.03Å; D78-Q178 PolarHBondContact OD2-NE2 3.33Å; M82-Q178 VanDerWaalsContact CG-OE1 3.23Å; M82-Q178 PolarHBondContact SD-OE1 2.97Å; Q174-Q178 WeakPolarHBondContact O-CG 3.41Å; Q174-Q178 PolarHBondContact O-N 2.86Å; Y175-Q178 PolarHBondContact O-N 2.87Å; V176-Q178 VanDerWaalsContact C-N 3.34Å; V176-Q178 PolarHBondContact O-N 3.31Å; Q178-I180 VanDerWaalsContact C-N 3.32Å; Q178-I180 PolarHBondContact O-N 2.94Å; Q178-D181 PolarHBondContact O-N 2.9Å; Q178-A182 WeakPolarHBondContact O-CB 3.45Å; Q178-A182 PolarHBondContact O-N 3.47Å
179	L	98.3	Very high	98	Very high	26 Å²	26	41.9 Å²	41.9	14%	0.136	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-38.5	173.5	-67.3	176.6	0	0	0	111.8	I104 P134 Y175 V176 H177 E183	I104-L179 HydrophobicContact CD1-CB 3.75Å; I104-L179 HydrophobicContact CG1-CB 4.43Å; I104-L179 HydrophobicContact CG2-CB 4.45Å; I104-L179 HydrophobicContact CG2-CD1 3.85Å; P134-L179 HydrophobicContact CB-CD1 4.15Å; P134-L179 HydrophobicContact CG-CD1 4.06Å; Y175-L179 HydrophobicContact CD1-CD1 4.33Å; Y175-L179 HydrophobicContact CE1-CD1 3.73Å; Y175-L179 HydrophobicContact CE1-CG 4.42Å; Y175-L179 HydrophobicContact CE2-CD1 4.42Å; Y175-L179 HydrophobicContact CE2-CD2 4.33Å; Y175-L179 HydrophobicContact CE2-CG 4.29Å; Y175-L179 WeakPolarHBondContact O-CG 3.09Å; Y175-L179 PolarHBondContact O-N 3.29Å; V176-L179 WeakPolarHBondContact O-CB 3.18Å; V176-L179 PolarHBondContact O-N 3.05Å; H177-L179 VanDerWaalsContact C-N 3.33Å; H177-L179 PolarHBondContact O-N 3.38Å; L179-E183 WeakPolarHBondContact O-CG 3.37Å; L179-E183 PolarHBondContact O-N 3.02Å
180	I	98.8	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-47.2	174.8	-61.9	164	0	0	0	110	I104 V176 H177 Q178 A182 E183 V184 I193 Y212 L216	I104-I180 HydrophobicContact CD1-CB 4.38Å; I104-I180 HydrophobicContact CD1-CG1 3.63Å; V176-I180 HydrophobicContact CG1-CD1 4.22Å; V176-I180 WeakPolarHBondContact O-CG1 3.37Å; V176-I180 PolarHBondContact O-N 2.93Å; H177-I180 WeakPolarHBondContact O-CB 3.4Å; H177-I180 PolarHBondContact O-N 3.32Å; H177-I180 VanDerWaalsContact O-N 3.11Å; Q178-I180 VanDerWaalsContact C-N 3.32Å; Q178-I180 PolarHBondContact O-N 2.94Å; I180-A182 VanDerWaalsContact C-N 3.28Å; I180-A182 PolarHBondContact O-N 3.47Å; I180-E183 WeakPolarHBondContact O-CB 3.38Å; I180-E183 PolarHBondContact O-N 3.06Å; I180-E183 VanDerWaalsContact O-N 3.09Å; I180-V184 HydrophobicContact CG2-CG2 4.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.49Å; I180-V184 PolarHBondContact O-N 3.45Å; I180-I193 HydrophobicContact CG1-CG2 4.31Å; I180-I193 HydrophobicContact CG2-CD1 3.92Å; I180-I193 HydrophobicContact CG2-CG2 4.24Å; I180-Y212 HydrophobicContact CB-CE2 4.01Å; I180-Y212 HydrophobicContact CD1-CD2 3.99Å; I180-Y212 HydrophobicContact CD1-CE2 4.32Å; I180-Y212 HydrophobicContact CD1-CG 4.12Å; I180-Y212 HydrophobicContact CG2-CD1 4.22Å; I180-Y212 HydrophobicContact CG2-CD2 4.45Å; I180-Y212 HydrophobicContact CG2-CE1 3.52Å; I180-Y212 HydrophobicContact CG2-CE2 3.84Å; I180-Y212 WeakPolarHBondContact CG2-OH 3.48Å; I180-L216 HydrophobicContact CD1-CD1 4.27Å; I180-L216 HydrophobicContact CD1-CD2 4.31Å; I180-L216 HydrophobicContact CG2-CD2 3.99Å
181	D	98.5	Very high	98.1	Very high	75 Å²	75	42.5 Å²	42.5	40%	0.401	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-36.7	-179.5	-68.4	-24.3	0	0	0	111.9	H177 Q178 E183 V184 A185 Y212	H177-D181 VanDerWaalsContact O-CG 3.24Å; H177-D181 PolarHBondContact O-N 3.37Å; Q178-D181 PolarHBondContact O-N 2.9Å; D181-E183 VanDerWaalsContact C-N 3.33Å; D181-E183 PolarHBondContact O-N 3.26Å; D181-V184 PolarHBondContact O-N 3.28Å; D181-A185 WeakPolarHBondContact O-CB 3.38Å; D181-A185 PolarHBondContact O-N 2.83Å; D181-Y212 WeakPolarHBondContact OD1-CE2 3.26Å; D181-Y212 PolarHBondContact OD1-OH 3.45Å
182	A	98.3	Very high	98.2	Very high	56 Å²	56	41.3 Å²	41.3	46%	0.463	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-38.6	174.6	0	0	0	0	0	112.4	Q178 I180 A185 A186	Q178-A182 WeakPolarHBondContact O-CB 3.45Å; Q178-A182 PolarHBondContact O-N 3.47Å; I180-A182 VanDerWaalsContact C-N 3.28Å; I180-A182 PolarHBondContact O-N 3.47Å; A182-A185 PolarHBondContact O-N 2.85Å; A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.38Å
183	E	98.5	Very high	98.3	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.065	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-38.1	175.4	-69.9	-63.6	110.9	0	0	112.4	H99 T102 K130 I132 L179 I180 D181 A186 G187 I188 I193	H99-E183 IonicContact CE1-OE2 3.42Å; H99-E183 PolarHBondContact CE1-OE2 2.91Å; H99-E183 IonicContact NE2-OE2 3.82Å; T102-E183 WeakPolarHBondContact CB-OE2 3.49Å; T102-E183 HydrophobicContact CG2-CG 3.97Å; T102-E183 WeakPolarHBondContact CG2-OE2 3.41Å; T102-E183 PolarHBondContact OG1-OE2 3.44Å; K130-E183 VanDerWaalsContact CE-CD 3.45Å; K130-E183 WeakPolarHBondContact CE-OE1 2.99Å; K130-E183 WeakPolarHBondContact CE-OE2 3.49Å; K130-E183 IonicContact NZ-OE1 2.62Å; K130-E183 PolarHBondContact NZ-OE1 3.35Å; K130-E183 IonicContact NZ-OE2 2.77Å; K130-E183 PolarHBondContact NZ-OE2 2.76Å; I132-E183 HydrophobicContact CD1-CG 3.9Å; L179-E183 WeakPolarHBondContact O-CG 3.37Å; L179-E183 PolarHBondContact O-N 3.02Å; I180-E183 WeakPolarHBondContact O-CB 3.38Å; I180-E183 PolarHBondContact O-N 3.06Å; I180-E183 VanDerWaalsContact O-N 3.09Å; D181-E183 VanDerWaalsContact C-N 3.33Å; D181-E183 PolarHBondContact O-N 3.26Å; E183-A186 CarbonylContact O-C 3.52Å; E183-A186 PolarHBondContact O-N 3.5Å; E183-G187 PolarHBondContact O-N 3.14Å; E183-I188 PolarHBondContact O-N 3.22Å; E183-I193 HydrophobicContact CB-CD1 3.49Å; E183-I193 VanDerWaalsContact CB-CD1 3.49Å; E183-I193 HydrophobicContact CB-CG1 4.3Å
184	V	98.6	Very high	98.3	Very high	44 Å²	44	41 Å²	41	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-45.6	172.6	175.4	0	0	0	0	110.7	I180 D181 A186 G187 I188 A190 I193	I180-V184 HydrophobicContact CG2-CG2 4.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.49Å; I180-V184 PolarHBondContact O-N 3.45Å; D181-V184 PolarHBondContact O-N 3.28Å; V184-A186 PolarHBondContact O-N 2.98Å; V184-G187 PolarHBondContact O-N 3.36Å; V184-I188 VanDerWaalsContact CA-O 3.27Å; V184-I188 WeakPolarHBondContact CA-O 3.35Å; V184-A190 HydrophobicContact CG2-CB 4.13Å; V184-I193 HydrophobicContact CG2-CD1 3.76Å
185	A	98.3	Very high	98.4	Very high	91 Å²	91	36.4 Å²	36.4	75%	0.752	24%	0.238	S	C	*	.	H	α-helix	trans	-63	-30.9	175.5	0	0	0	0	0	112.5	D181 A182 G187	D181-A185 WeakPolarHBondContact O-CB 3.38Å; D181-A185 PolarHBondContact O-N 2.83Å; A182-A185 PolarHBondContact O-N 2.85Å; A185-G187 PolarHBondContact O-N 3.02Å
186	A	97.4	Very high	98.4	Very high	71 Å²	71	35.7 Å²	35.7	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	0.3	173.6	0	0	0	0	0	114	A182 E183 V184	A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.38Å; E183-A186 CarbonylContact O-C 3.52Å; E183-A186 PolarHBondContact O-N 3.5Å; V184-A186 PolarHBondContact O-N 2.98Å
187	G	97.7	Very high	98.4	Very high	60 Å²	60	35.7 Å²	35.7	62%	0.619	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.6	4.5	173.1	0	0	0	0	0	115.5	E183 V184 A185 P189	E183-G187 PolarHBondContact O-N 3.14Å; V184-G187 PolarHBondContact O-N 3.36Å; A185-G187 PolarHBondContact O-N 3.02Å; G187-P189 WeakPolarHBondContact O-CD 3.41Å
188	I	98.1	Very high	98.4	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.072	23%	0.233	C	C	.	.			trans	-90	112.9	174.5	-54.2	-59	0	0	0	108.9	H99 E183 V184 R192 I193	H99-I188 VanDerWaalsContact CE1-CG1 3.44Å; H99-I188 WeakPolarHBondContact CE1-CG1 3.49Å; H99-I188 WeakPolarHBondContact O-CD1 3.46Å; E183-I188 PolarHBondContact O-N 3.22Å; V184-I188 VanDerWaalsContact CA-O 3.27Å; V184-I188 WeakPolarHBondContact CA-O 3.35Å; I188-R192 HydrophobicContact CG2-CB 4.04Å; I188-I193 HydrophobicContact CG2-CD1 4.45Å; I188-I193 HydrophobicContact CG2-CG1 3.85Å
189	P	98.1	Very high	98.4	Very high	55 Å²	55	33 Å²	33	36%	0.357	22%	0.224	S	C	.	.			trans	-61.5	146.6	-179.2	26.9	-34.7	0	0	0	111	G187 S191 R192	G187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-S191 PolarHBondContact O-N 3.09Å; P189-R192 HydrophobicContact CG-CB 4.23Å; P189-R192 HydrophobicContact CG-CG 3.97Å; P189-R192 WeakPolarHBondContact O-CA 3.38Å; P189-R192 PolarHBondContact O-N 3.37Å
190	A	98.6	Very high	98.4	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-52.7	-33.7	-179.1	0	0	0	0	0	113.2	V184 R192 I193 Y212 Q214 K215 L216 G217	V184-A190 HydrophobicContact CG2-CB 4.13Å; A190-R192 PolarHBondContact O-N 3.49Å; A190-R192 VanDerWaalsContact O-N 3.12Å; A190-I193 PolarHBondContact O-N 2.86Å; A190-Y212 HydrophobicContact CB-CE1 4.2Å; A190-Q214 HydrophobicContact CB-CB 3.87Å; A190-K215 CarbonylContact C-O 3.54Å; A190-K215 VanDerWaalsContact C-O 3.22Å; A190-L216 HydrophobicContact CB-CD2 4.46Å; A190-L216 WeakPolarHBondContact O-CA 3.45Å; A190-G217 PolarHBondContact O-N 2.97Å
191	S	98.5	Very high	98.4	Very high	64 Å²	64	31.8 Å²	31.8	45%	0.448	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65.6	-10.6	176.3	56.7	0	0	0	0	114.7	P189 K215 G217	P189-S191 PolarHBondContact O-N 3.09Å; S191-K215 WeakPolarHBondContact CA-O 3.31Å; S191-K215 PolarHBondContact N-O 2.87Å; S191-K215 VanDerWaalsContact N-O 3.14Å; S191-G217 WeakPolarHBondContact O-CA 3.46Å
192	R	98.6	Very high	98.4	Very high	83 Å²	83	28.2 Å²	28.2	31%	0.313	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-111.5	14.3	172	-63.9	-170.6	180	163.2	-6.9	112.8	K100 G101 T102 I188 P189 A190 I302 H304	K100-R192 WeakPolarHBondContact O-CB 3.47Å; K100-R192 WeakPolarHBondContact O-CD 3.48Å; G101-R192 CarbonylContact C-O 3.57Å; G101-R192 WeakPolarHBondContact CA-O 3.38Å; T102-R192 PolarHBondContact N-O 3.26Å; I188-R192 HydrophobicContact CG2-CB 4.04Å; P189-R192 HydrophobicContact CG-CB 4.23Å; P189-R192 HydrophobicContact CG-CG 3.97Å; P189-R192 WeakPolarHBondContact O-CA 3.38Å; P189-R192 PolarHBondContact O-N 3.37Å; A190-R192 PolarHBondContact O-N 3.49Å; A190-R192 VanDerWaalsContact O-N 3.12Å; R192-I302 WeakPolarHBondContact O-CB 3.12Å; R192-H304 WeakPolarHBondContact CD-OXT 3.36Å; R192-H304 PolarHBondContact NE-OXT 3.43Å; R192-H304 PolarHBondContact NH2-O 3.11Å; R192-H304 PolarHBondContact NH2-OXT 3.42Å; R192-H304 VanDerWaalsContact NH2-OXT 3.15Å
193	I	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.9	172.6	-57.7	171.9	0	0	0	108.2	T102 I104 I180 E183 V184 I188 A190 L216 G217	T102-I193 CarbonylContact O-C 3.53Å; T102-I193 WeakPolarHBondContact O-CA 3.2Å; I104-I193 HydrophobicContact CD1-CG2 4.27Å; I180-I193 HydrophobicContact CG1-CG2 4.31Å; I180-I193 HydrophobicContact CG2-CD1 3.92Å; I180-I193 HydrophobicContact CG2-CG2 4.24Å; E183-I193 HydrophobicContact CB-CD1 3.49Å; E183-I193 VanDerWaalsContact CB-CD1 3.49Å; E183-I193 HydrophobicContact CB-CG1 4.3Å; V184-I193 HydrophobicContact CG2-CD1 3.76Å; I188-I193 HydrophobicContact CG2-CD1 4.45Å; I188-I193 HydrophobicContact CG2-CG1 3.85Å; A190-I193 PolarHBondContact O-N 2.86Å; I193-L216 HydrophobicContact CB-CD2 4.36Å; I193-G217 PolarHBondContact O-N 3.03Å
194	A	98.9	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.4	166.2	0	0	0	0	0	110.1	T102 L103 I104 G218 L298 I302	T102-A194 PolarHBondContact O-N 2.89Å; L103-A194 WeakPolarHBondContact CA-O 3.27Å; L103-A194 HydrophobicContact CD1-CB 3.8Å; I104-A194 PolarHBondContact N-O 3.1Å; A194-G218 WeakPolarHBondContact CA-O 3.48Å; A194-G218 WeakPolarHBondContact CB-O 3.41Å; A194-L298 HydrophobicContact CB-CD2 3.95Å; A194-I302 HydrophobicContact CB-CD1 3.98Å; A194-I302 HydrophobicContact CB-CG2 4.28Å
195	V	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135	167.9	64.4	0	0	0	0	108.6	I104 L106 V176 A205 L216 G218 I219 V220	I104-V195 CarbonylContact O-C 3.54Å; I104-V195 WeakPolarHBondContact O-CA 3.37Å; L106-V195 HydrophobicContact CD1-CG2 4.12Å; V176-V195 HydrophobicContact CG1-CG2 3.71Å; V195-A205 WeakPolarHBondContact CG1-O 3.38Å; V195-A205 HydrophobicContact CG2-CB 3.94Å; V195-L216 HydrophobicContact CG1-CD1 4.02Å; V195-G218 PolarHBondContact N-O 2.88Å; V195-I219 HydrophobicContact CG1-CG1 4.2Å; V195-I219 CarbonylContact O-C 3.58Å; V195-I219 VanDerWaalsContact O-CA 3.27Å; V195-I219 WeakPolarHBondContact O-CA 3.06Å; V195-V220 PolarHBondContact O-N 2.98Å
196	G	98.9	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	168.1	-177.1	0	0	0	0	0	112.5	I104 F105 L106 A205 V220	I104-G196 PolarHBondContact O-N 3.09Å; F105-G196 CarbonylContact C-O 3.57Å; F105-G196 VanDerWaalsContact CA-O 3.31Å; F105-G196 WeakPolarHBondContact CA-O 3.25Å; L106-G196 PolarHBondContact N-O 3.41Å; G196-A205 WeakPolarHBondContact O-CB 3.43Å; G196-V220 CarbonylContact C-O 3.55Å; G196-V220 WeakPolarHBondContact CA-O 3.37Å
197	G	98.8	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	173.1	168.3	0	0	0	0	0	113.6	F105 L106 G202 V220 L222	F105-G197 VanDerWaalsContact CZ-C 3.4Å; L106-G197 CarbonylContact O-C 3.56Å; L106-G197 WeakPolarHBondContact O-CA 3.41Å; G197-G202 VanDerWaalsContact C-N 3.27Å; G197-G202 VanDerWaalsContact O-CA 3.27Å; G197-G202 WeakPolarHBondContact O-CA 3.49Å; G197-V220 PolarHBondContact N-O 3Å; G197-L222 PolarHBondContact O-N 2.88Å
198	F	98.8	Very high	98.6	Very high	22 Å²	22	12.8 Å²	12.8	10%	0.096	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.4	177.1	176.4	-95.7	0	0	0	111.3	F105 L106 G108 W116 M200 G201 G202 L222 H284	F105-F198 HydrophobicContact CE1-CB 4.11Å; F105-F198 HydrophobicContact CZ-CB 4.24Å; L106-F198 PolarHBondContact O-N 2.83Å; G108-F198 WeakPolarHBondContact CA-O 3.17Å; G108-F198 PolarHBondContact N-O 2.86Å; W116-F198 HydrophobicContact CH2-CB 3.94Å; W116-F198 HydrophobicContact CH2-CD2 4.07Å; W116-F198 HydrophobicContact CH2-CG 4.16Å; W116-F198 HydrophobicContact CZ2-CB 3.25Å; W116-F198 HydrophobicContact CZ2-CD1 4.1Å; W116-F198 AromaticContact CZ2-CD2 3.77Å; W116-F198 HydrophobicContact CZ2-CD2 3.77Å; W116-F198 AromaticContact CZ2-CG 3.45Å; W116-F198 HydrophobicContact CZ2-CG 3.45Å; W116-F198 VanDerWaalsContact CZ2-CG 3.45Å; F198-M200 PolarHBondContact O-N 3.3Å; F198-G201 WeakPolarHBondContact O-CA 3.5Å; F198-G201 PolarHBondContact O-N 3.42Å; F198-G202 PolarHBondContact O-N 2.8Å; F198-L222 CarbonylContact C-O 3.22Å; F198-L222 WeakPolarHBondContact CA-O 3.2Å; F198-L222 HydrophobicContact CB-CB 4.43Å; F198-L222 HydrophobicContact CD2-CB 3.88Å; F198-H284 AromaticContact CE1-CD2 3.82Å; F198-H284 AromaticContact CE1-NE2 3.56Å; F198-H284 AromaticContact CZ-CD2 3.7Å; F198-H284 AromaticContact CZ-CE1 3.91Å; F198-H284 AromaticContact CZ-NE2 3.67Å
199	S	98.2	Very high	98.6	Very high	13 Å²	13	12.1 Å²	12.1	9%	0.091	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-127.6	177.5	-170.1	0	0	0	0	111.3	G201 G202 A203 L222 S223 S224 H284	S199-G201 PolarHBondContact O-N 2.81Å; S199-G202 WeakPolarHBondContact O-CA 3.14Å; S199-G202 PolarHBondContact O-N 2.94Å; S199-A203 PolarHBondContact O-N 2.86Å; S199-L222 PolarHBondContact N-O 3.15Å; S199-S223 WeakPolarHBondContact CA-O 3.32Å; S199-S224 PolarHBondContact O-OG 3.07Å; S199-S224 VanDerWaalsContact O-OG 3.14Å; S199-H284 VanDerWaalsContact CB-NE2 3.34Å; S199-H284 WeakPolarHBondContact CB-NE2 3.31Å; S199-H284 PolarHBondContact OG-CE1 2.85Å; S199-H284 PolarHBondContact OG-NE2 3.48Å
200	M	97.8	Very high	98.6	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-48.8	-41.7	173.1	178.4	-172.3	-80.1	0	0	113.4	L109 A151 W152 F153 L155 F198 G202 A203 L204	L109-M200 HydrophobicContact CB-CE 4.28Å; L109-M200 HydrophobicContact CD1-CE 3.97Å; A151-M200 HydrophobicContact CB-CE 4.33Å; A151-M200 HydrophobicContact CB-SD 4.06Å; W152-M200 HydrophobicContact CB-SD 4.24Å; F153-M200 HydrophobicContact CD1-CG 4.24Å; F153-M200 HydrophobicContact CD1-SD 4.44Å; F153-M200 HydrophobicContact CE1-CG 3.5Å; F153-M200 HydrophobicContact CE1-SD 4.26Å; F153-M200 HydrophobicContact CE2-CE 4.41Å; F153-M200 HydrophobicContact CE2-CG 4.34Å; F153-M200 HydrophobicContact CZ-CG 3.57Å; F153-M200 HydrophobicContact CZ-SD 4.44Å; L155-M200 HydrophobicContact CB-CE 3.73Å; L155-M200 HydrophobicContact CD2-CE 3.99Å; L155-M200 HydrophobicContact CG-CE 4.33Å; F198-M200 PolarHBondContact O-N 3.3Å; M200-G202 VanDerWaalsContact C-N 3.34Å; M200-A203 PolarHBondContact O-N 2.72Å; M200-L204 PolarHBondContact O-N 3.41Å
201	G	98.7	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.3	-36.7	178	0	0	0	0	0	112.4	L106 H107 F198 S199 A203 L204 A205	L106-G201 WeakPolarHBondContact CB-O 3.49Å; H107-G201 VanDerWaalsContact O-CA 3.31Å; H107-G201 WeakPolarHBondContact O-CA 3.5Å; H107-G201 PolarHBondContact O-N 2.9Å; F198-G201 WeakPolarHBondContact O-CA 3.5Å; F198-G201 PolarHBondContact O-N 3.42Å; S199-G201 PolarHBondContact O-N 2.81Å; G201-A203 VanDerWaalsContact C-N 3.32Å; G201-L204 PolarHBondContact O-N 2.92Å; G201-A205 WeakPolarHBondContact O-CB 3.33Å; G201-A205 PolarHBondContact O-N 3.18Å
202	G	98.7	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.9	-38.1	173.1	0	0	0	0	0	112	G197 F198 S199 M200 L204 A205 I206	G197-G202 VanDerWaalsContact C-N 3.27Å; G197-G202 VanDerWaalsContact O-CA 3.27Å; G197-G202 WeakPolarHBondContact O-CA 3.49Å; F198-G202 PolarHBondContact O-N 2.8Å; S199-G202 WeakPolarHBondContact O-CA 3.14Å; S199-G202 PolarHBondContact O-N 2.94Å; M200-G202 VanDerWaalsContact C-N 3.34Å; G202-L204 VanDerWaalsContact C-N 3.34Å; G202-L204 PolarHBondContact O-N 3.47Å; G202-A205 WeakPolarHBondContact O-CB 3.21Å; G202-A205 PolarHBondContact O-N 3.42Å; G202-I206 VanDerWaalsContact O-CG1 3.28Å; G202-I206 WeakPolarHBondContact O-CG1 3.42Å; G202-I206 PolarHBondContact O-N 2.97Å
203	A	98.4	Very high	98.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67.2	-42.1	-178.8	0	0	0	0	0	110.3	S199 M200 G201 Y207 S224 F225 L227	S199-A203 PolarHBondContact O-N 2.86Å; M200-A203 PolarHBondContact O-N 2.72Å; G201-A203 VanDerWaalsContact C-N 3.32Å; A203-Y207 PolarHBondContact O-N 3.31Å; A203-S224 VanDerWaalsContact CA-OG 3.27Å; A203-S224 WeakPolarHBondContact CA-OG 3.47Å; A203-S224 PolarHBondContact N-OG 3.18Å; A203-F225 VanDerWaalsContact CA-O 3.27Å; A203-F225 WeakPolarHBondContact CA-O 3.43Å; A203-F225 HydrophobicContact CB-CD1 4.36Å; A203-F225 HydrophobicContact CB-CD2 3.97Å; A203-F225 HydrophobicContact CB-CE1 4.24Å; A203-F225 HydrophobicContact CB-CE2 3.87Å; A203-F225 HydrophobicContact CB-CG 4.23Å; A203-F225 HydrophobicContact CB-CZ 3.99Å; A203-F225 WeakPolarHBondContact CB-O 3.27Å; A203-L227 HydrophobicContact CB-CD1 3.93Å; A203-L227 HydrophobicContact CB-CD2 4.31Å; A203-L227 HydrophobicContact CB-CG 3.82Å
204	L	98.7	Very high	98.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.4	-43.7	171	-179.5	59.7	0	0	0	112.2	L106 W152 F153 A172 V176 M200 G201 G202 I206 Y207 A208	L106-L204 HydrophobicContact CD1-CD2 4.44Å; L106-L204 HydrophobicContact CD1-CG 4.34Å; L106-L204 HydrophobicContact CD2-CD2 4.11Å; W152-L204 HydrophobicContact CB-CD2 3.73Å; W152-L204 HydrophobicContact CD2-CD2 4.25Å; W152-L204 HydrophobicContact CG-CD2 3.87Å; F153-L204 HydrophobicContact CE1-CB 4.22Å; A172-L204 HydrophobicContact CB-CD1 3.91Å; A172-L204 HydrophobicContact CB-CD2 3.59Å; A172-L204 HydrophobicContact CB-CG 4.43Å; V176-L204 HydrophobicContact CG2-CD2 4.14Å; V176-L204 HydrophobicContact CG2-CG 4.3Å; M200-L204 PolarHBondContact O-N 3.41Å; G201-L204 PolarHBondContact O-N 2.92Å; G202-L204 VanDerWaalsContact C-N 3.34Å; G202-L204 PolarHBondContact O-N 3.47Å; L204-I206 VanDerWaalsContact C-N 3.34Å; L204-I206 PolarHBondContact O-N 2.71Å; L204-Y207 PolarHBondContact O-N 3.29Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 2.75Å
205	A	98.9	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.9	-45.6	178.8	0	0	0	0	0	112	L106 V195 G196 G201 G202 G209	L106-A205 HydrophobicContact CD1-CB 3.82Å; V195-A205 WeakPolarHBondContact CG1-O 3.38Å; V195-A205 HydrophobicContact CG2-CB 3.94Å; G196-A205 WeakPolarHBondContact O-CB 3.43Å; G201-A205 WeakPolarHBondContact O-CB 3.33Å; G201-A205 PolarHBondContact O-N 3.18Å; G202-A205 WeakPolarHBondContact O-CB 3.21Å; G202-A205 PolarHBondContact O-N 3.42Å; A205-G209 PolarHBondContact O-N 3.49Å
206	I	98.6	Very high	98.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-51.2	177.6	-66.7	162.2	0	0	0	110.3	G202 L204 L210 I219 F226 L246 I267	G202-I206 VanDerWaalsContact O-CG1 3.28Å; G202-I206 WeakPolarHBondContact O-CG1 3.42Å; G202-I206 PolarHBondContact O-N 2.97Å; L204-I206 VanDerWaalsContact C-N 3.34Å; L204-I206 PolarHBondContact O-N 2.71Å; I206-L210 HydrophobicContact CG2-CD1 3.87Å; I206-L210 WeakPolarHBondContact O-CB 3.47Å; I206-L210 VanDerWaalsContact O-CG 3.3Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.99Å; I206-I219 HydrophobicContact CB-CG2 4.47Å; I206-I219 HydrophobicContact CG1-CG2 4.15Å; I206-F226 HydrophobicContact CG2-CD2 3.61Å; I206-F226 HydrophobicContact CG2-CE2 3.83Å; I206-L246 HydrophobicContact CD1-CD2 3.75Å; I206-L246 HydrophobicContact CG1-CD2 4.33Å; I206-I267 HydrophobicContact CG2-CD1 3.8Å
207	Y	98.4	Very high	98.4	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.039	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-47.4	-178.8	-179.2	-104.9	0	0	0	112.1	I169 T173 A203 L204 G209 L210 T211 Q228 K231 F232	I169-Y207 HydrophobicContact CG2-CD1 3.74Å; I169-Y207 HydrophobicContact CG2-CE1 3.83Å; I169-Y207 HydrophobicContact CG2-CG 4.49Å; T173-Y207 HydrophobicContact CG2-CD1 4.28Å; T173-Y207 HydrophobicContact CG2-CE1 4.25Å; T173-Y207 VanDerWaalsContact OG1-CD1 3.26Å; T173-Y207 WeakPolarHBondContact OG1-CD1 3.29Å; T173-Y207 WeakPolarHBondContact OG1-CE1 3.39Å; A203-Y207 PolarHBondContact O-N 3.31Å; L204-Y207 PolarHBondContact O-N 3.29Å; Y207-G209 PolarHBondContact O-N 3.12Å; Y207-L210 PolarHBondContact O-N 3.41Å; Y207-T211 HydrophobicContact CD2-CG2 4.25Å; Y207-T211 HydrophobicContact CE1-CG2 4.39Å; Y207-T211 HydrophobicContact CE2-CG2 3.87Å; Y207-T211 WeakPolarHBondContact O-CB 3.45Å; Y207-T211 WeakPolarHBondContact O-CG2 3.28Å; Y207-T211 PolarHBondContact O-N 3.04Å; Y207-T211 PolarHBondContact O-OG1 2.92Å; Y207-Q228 HydrophobicContact CD2-CB 3.78Å; Y207-Q228 HydrophobicContact CD2-CG 4.29Å; Y207-Q228 HydrophobicContact CE2-CB 3.4Å; Y207-Q228 HydrophobicContact CE2-CG 3.9Å; Y207-K231 HydrophobicContact CE2-CD 4.4Å; Y207-K231 WeakPolarHBondContact OH-CD 3.36Å; Y207-F232 AromaticContact CD2-CE2 3.64Å; Y207-F232 HydrophobicContact CD2-CE2 3.64Å; Y207-F232 AromaticContact CD2-CZ 3.82Å; Y207-F232 HydrophobicContact CD2-CZ 3.82Å; Y207-F232 AromaticContact CE2-CE2 3.79Å; Y207-F232 HydrophobicContact CE2-CE2 3.79Å; Y207-F232 HydrophobicContact CE2-CZ 4.01Å
208	A	98.6	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-42.1	179.3	0	0	0	0	0	111.8	T173 V176 H177 L204 T211 Y212	T173-A208 HydrophobicContact CG2-CB 3.91Å; V176-A208 HydrophobicContact CB-CB 3.96Å; V176-A208 HydrophobicContact CG1-CB 3.7Å; V176-A208 HydrophobicContact CG2-CB 4.48Å; H177-A208 PolarHBondContact NE2-O 3.37Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 2.75Å; A208-T211 PolarHBondContact O-N 3.4Å; A208-T211 PolarHBondContact O-OG1 3.19Å; A208-Y212 WeakPolarHBondContact O-CB 3.37Å; A208-Y212 PolarHBondContact O-N 3.07Å
209	G	98.6	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.8	0	0	0	0	0	113	A205 Y207 T211 N239	A205-G209 PolarHBondContact O-N 3.49Å; Y207-G209 PolarHBondContact O-N 3.12Å; G209-T211 VanDerWaalsContact C-N 3.33Å; G209-T211 PolarHBondContact O-N 3.17Å; G209-N239 WeakPolarHBondContact O-CB 3.21Å; G209-N239 PolarHBondContact O-ND2 3.23Å; G209-N239 VanDerWaalsContact O-ND2 3.07Å
210	L	98.3	Very high	98.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-70	-29.5	178	-73.5	172.4	0	0	0	113	I206 Y207 I219 F226 F232 I244 F270	I206-L210 HydrophobicContact CG2-CD1 3.87Å; I206-L210 WeakPolarHBondContact O-CB 3.47Å; I206-L210 VanDerWaalsContact O-CG 3.3Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.99Å; Y207-L210 PolarHBondContact O-N 3.41Å; L210-I219 HydrophobicContact CD2-CD1 4.16Å; L210-I219 HydrophobicContact CG-CD1 4.1Å; L210-F226 HydrophobicContact CD1-CE2 3.73Å; L210-F226 HydrophobicContact CD1-CZ 3.8Å; L210-F232 HydrophobicContact CB-CE1 3.56Å; L210-F232 HydrophobicContact CB-CZ 3.81Å; L210-F232 HydrophobicContact CD1-CE1 4.03Å; L210-F232 HydrophobicContact CD1-CZ 4.15Å; L210-F232 HydrophobicContact CG-CE1 4.39Å; L210-I244 HydrophobicContact CD2-CD1 3.85Å; L210-I244 HydrophobicContact CG-CD1 4.44Å; L210-F270 HydrophobicContact CD1-CE2 3.99Å; L210-F270 HydrophobicContact CD1-CZ 4.1Å; L210-F270 HydrophobicContact CD2-CE2 4.04Å
211	T	97.9	Very high	98.5	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-93.2	-7.1	-179.8	56	0	0	0	0	114.2	Y207 A208 G209 F232 F236	Y207-T211 HydrophobicContact CD2-CG2 4.25Å; Y207-T211 HydrophobicContact CE1-CG2 4.39Å; Y207-T211 HydrophobicContact CE2-CG2 3.87Å; Y207-T211 WeakPolarHBondContact O-CB 3.45Å; Y207-T211 WeakPolarHBondContact O-CG2 3.28Å; Y207-T211 PolarHBondContact O-N 3.04Å; Y207-T211 PolarHBondContact O-OG1 2.92Å; A208-T211 PolarHBondContact O-N 3.4Å; A208-T211 PolarHBondContact O-OG1 3.19Å; G209-T211 VanDerWaalsContact C-N 3.33Å; G209-T211 PolarHBondContact O-N 3.17Å; T211-F232 HydrophobicContact CG2-CE1 4.32Å; T211-F232 HydrophobicContact CG2-CZ 3.85Å; T211-F236 HydrophobicContact CG2-CD2 3.75Å; T211-F236 HydrophobicContact CG2-CE2 3.99Å; T211-F236 HydrophobicContact CG2-CG 4.06Å; T211-F236 HydrophobicContact CG2-CZ 4.49Å; T211-F236 WeakPolarHBondContact O-CD1 3.46Å; T211-F236 WeakPolarHBondContact O-CE1 3.27Å
212	Y	98.4	Very high	98.5	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.012	8%	0.075	C	C	.	.			trans	-65.5	133.9	176.8	-169.5	-112.5	0	0	0	110.4	H177 I180 D181 A190 A208 Q214 L216 N239	H177-Y212 HydrophobicContact CB-CD2 4.11Å; H177-Y212 HydrophobicContact CB-CE2 4.25Å; H177-Y212 AromaticContact CD2-CD2 3.57Å; H177-Y212 AromaticContact CG-CD2 3.72Å; H177-Y212 AromaticContact NE2-CD2 3.93Å; I180-Y212 HydrophobicContact CB-CE2 4.01Å; I180-Y212 HydrophobicContact CD1-CD2 3.99Å; I180-Y212 HydrophobicContact CD1-CE2 4.32Å; I180-Y212 HydrophobicContact CD1-CG 4.12Å; I180-Y212 HydrophobicContact CG2-CD1 4.22Å; I180-Y212 HydrophobicContact CG2-CD2 4.45Å; I180-Y212 HydrophobicContact CG2-CE1 3.52Å; I180-Y212 HydrophobicContact CG2-CE2 3.84Å; I180-Y212 WeakPolarHBondContact CG2-OH 3.48Å; D181-Y212 WeakPolarHBondContact OD1-CE2 3.26Å; D181-Y212 PolarHBondContact OD1-OH 3.45Å; A190-Y212 HydrophobicContact CB-CE1 4.2Å; A208-Y212 WeakPolarHBondContact O-CB 3.37Å; A208-Y212 PolarHBondContact O-N 3.07Å; Y212-Q214 VanDerWaalsContact C-N 3.3Å; Y212-Q214 HydrophobicContact CD1-CB 4.14Å; Y212-Q214 WeakPolarHBondContact CD1-O 3.46Å; Y212-Q214 HydrophobicContact CE1-CB 3.71Å; Y212-Q214 HydrophobicContact CE1-CG 4.25Å; Y212-Q214 PolarHBondContact O-N 3.44Å; Y212-L216 HydrophobicContact CD1-CD1 4.34Å; Y212-L216 HydrophobicContact CD1-CD2 3.56Å; Y212-L216 HydrophobicContact CD1-CG 3.86Å; Y212-L216 HydrophobicContact CE1-CD2 3.9Å; Y212-L216 HydrophobicContact CG-CD2 4.42Å; Y212-N239 PolarHBondContact O-ND2 3.15Å
213	P	97.7	Very high	98.5	Very high	95 Å²	95	14.1 Å²	14.1	62%	0.617	8%	0.075	S	C	*	.	S	Bend	trans	-74.7	-15.3	-170	27.9	-36.3	0	0	0	114.4	A238	P213-A238 VanDerWaalsContact O-CB 3.3Å; P213-A238 WeakPolarHBondContact O-CB 3.26Å
214	Q	98.1	Very high	98.5	Very high	91 Å²	91	14.4 Å²	14.4	43%	0.425	8%	0.077	S	C	.	.	S	Bend	trans	-106.6	157.5	174.7	-54	-174.5	39	0	0	111.5	A190 Y212 L216 N239	A190-Q214 HydrophobicContact CB-CB 3.87Å; Y212-Q214 VanDerWaalsContact C-N 3.3Å; Y212-Q214 HydrophobicContact CD1-CB 4.14Å; Y212-Q214 WeakPolarHBondContact CD1-O 3.46Å; Y212-Q214 HydrophobicContact CE1-CB 3.71Å; Y212-Q214 HydrophobicContact CE1-CG 4.25Å; Y212-Q214 PolarHBondContact O-N 3.44Å; Q214-L216 PolarHBondContact O-N 2.89Å; Q214-N239 PolarHBondContact O-ND2 3.18Å
215	K	98.3	Very high	98.4	Very high	78 Å²	78	15.6 Å²	15.6	34%	0.339	8%	0.083	S	C	.	.			trans	-67	113.5	178	179.4	65.1	179.2	-176.4	0	110.9	A190 S191 A238 A241 T242	A190-K215 CarbonylContact C-O 3.54Å; A190-K215 VanDerWaalsContact C-O 3.22Å; S191-K215 WeakPolarHBondContact CA-O 3.31Å; S191-K215 PolarHBondContact N-O 2.87Å; S191-K215 VanDerWaalsContact N-O 3.14Å; K215-A238 WeakPolarHBondContact CD-O 3.36Å; K215-A241 PolarHBondContact NZ-O 3.19Å; K215-T242 WeakPolarHBondContact CD-OG1 3.27Å; K215-T242 VanDerWaalsContact CE-OG1 3.29Å; K215-T242 WeakPolarHBondContact CE-OG1 3.28Å; K215-T242 PolarHBondContact NZ-OG1 2.79Å
216	L	98.8	Very high	98.3	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.084	C	C	.	.			trans	-80.6	160.2	171.2	-63.8	179	0	0	0	111.9	I180 A190 I193 V195 Y212 Q214 N239 T242	I180-L216 HydrophobicContact CD1-CD1 4.27Å; I180-L216 HydrophobicContact CD1-CD2 4.31Å; I180-L216 HydrophobicContact CG2-CD2 3.99Å; A190-L216 HydrophobicContact CB-CD2 4.46Å; A190-L216 WeakPolarHBondContact O-CA 3.45Å; I193-L216 HydrophobicContact CB-CD2 4.36Å; V195-L216 HydrophobicContact CG1-CD1 4.02Å; Y212-L216 HydrophobicContact CD1-CD1 4.34Å; Y212-L216 HydrophobicContact CD1-CD2 3.56Å; Y212-L216 HydrophobicContact CD1-CG 3.86Å; Y212-L216 HydrophobicContact CE1-CD2 3.9Å; Y212-L216 HydrophobicContact CG-CD2 4.42Å; Q214-L216 PolarHBondContact O-N 2.89Å; L216-N239 WeakPolarHBondContact CB-OD1 3.44Å; L216-N239 PolarHBondContact N-OD1 2.93Å; L216-T242 HydrophobicContact CB-CG2 4.22Å; L216-T242 WeakPolarHBondContact O-CG2 3.3Å
217	G	98.7	Very high	98.2	Very high	8 Å²	8	15.9 Å²	15.9	8%	0.082	8%	0.084	C	C	.	.	S	Bend	trans	-77.6	-33.3	175.4	0	0	0	0	0	113.6	A190 S191 I193 H301	A190-G217 PolarHBondContact O-N 2.97Å; S191-G217 WeakPolarHBondContact O-CA 3.46Å; I193-G217 PolarHBondContact O-N 3.03Å; G217-H301 WeakPolarHBondContact O-CB 3.35Å
218	G	98.8	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	162.4	177.9	0	0	0	0	0	113.9	A194 V195 P243	A194-G218 WeakPolarHBondContact CA-O 3.48Å; A194-G218 WeakPolarHBondContact CB-O 3.41Å; V195-G218 PolarHBondContact N-O 2.88Å; G218-P243 WeakPolarHBondContact CA-O 3.45Å
219	I	98.9	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.8	173.5	-59.8	172.5	0	0	0	108.1	V195 I206 L210 T242 P243 I244 F245	V195-I219 HydrophobicContact CG1-CG1 4.2Å; V195-I219 CarbonylContact O-C 3.58Å; V195-I219 VanDerWaalsContact O-CA 3.27Å; V195-I219 WeakPolarHBondContact O-CA 3.06Å; I206-I219 HydrophobicContact CB-CG2 4.47Å; I206-I219 HydrophobicContact CG1-CG2 4.15Å; L210-I219 HydrophobicContact CD2-CD1 4.16Å; L210-I219 HydrophobicContact CG-CD1 4.1Å; I219-T242 HydrophobicContact CD1-CG2 4.33Å; I219-T242 HydrophobicContact CG1-CG2 4.11Å; I219-P243 PolarHBondContact N-O 3.37Å; I219-I244 HydrophobicContact CB-CB 4.41Å; I219-I244 HydrophobicContact CB-CG1 4.05Å; I219-I244 HydrophobicContact CB-CG2 4.12Å; I219-I244 HydrophobicContact CD1-CD1 4.05Å; I219-I244 HydrophobicContact CD1-CG1 4.22Å; I219-I244 HydrophobicContact CG2-CG2 4.11Å; I219-I244 CarbonylContact O-C 3.36Å; I219-I244 WeakPolarHBondContact O-CA 3.33Å; I219-F245 PolarHBondContact O-N 2.95Å
220	V	98.9	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	-179.5	-177.6	0	0	0	0	110.5	V195 G196 G197 L222 F245 V294 F297	V195-V220 PolarHBondContact O-N 2.98Å; G196-V220 CarbonylContact C-O 3.55Å; G196-V220 WeakPolarHBondContact CA-O 3.37Å; G197-V220 PolarHBondContact N-O 3Å; V220-L222 HydrophobicContact CG1-CD2 3.7Å; V220-L222 HydrophobicContact CG1-CG 4.03Å; V220-F245 CarbonylContact C-O 3.55Å; V220-F245 WeakPolarHBondContact CA-O 3.32Å; V220-F245 HydrophobicContact CG1-CD1 4.1Å; V220-F245 HydrophobicContact CG2-CB 4.41Å; V220-V294 HydrophobicContact CG1-CG2 4.27Å; V220-F297 HydrophobicContact CG2-CD1 3.88Å; V220-F297 HydrophobicContact CG2-CE1 3.62Å
221	G	98.8	Very high	97.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.7	174.5	0	0	0	0	0	111.3	F245 L246 G247	G221-F245 PolarHBondContact N-O 2.97Å; G221-L246 CarbonylContact O-C 3.53Å; G221-L246 VanDerWaalsContact O-CA 3.26Å; G221-L246 WeakPolarHBondContact O-CA 3.38Å; G221-G247 PolarHBondContact O-N 3.28Å
222	L	98.8	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.7	-179.1	-51.9	-172.5	0	0	0	110.8	F105 W116 G197 F198 S199 V220 S224 F245 G247 E290 V294	F105-L222 HydrophobicContact CE2-CD1 4.15Å; F105-L222 HydrophobicContact CZ-CD1 3.84Å; F105-L222 HydrophobicContact CZ-CG 4.3Å; W116-L222 HydrophobicContact CH2-CD1 4.02Å; W116-L222 HydrophobicContact CZ3-CD1 4.13Å; G197-L222 PolarHBondContact O-N 2.88Å; F198-L222 CarbonylContact C-O 3.22Å; F198-L222 WeakPolarHBondContact CA-O 3.2Å; F198-L222 HydrophobicContact CB-CB 4.43Å; F198-L222 HydrophobicContact CD2-CB 3.88Å; S199-L222 PolarHBondContact N-O 3.15Å; V220-L222 HydrophobicContact CG1-CD2 3.7Å; V220-L222 HydrophobicContact CG1-CG 4.03Å; L222-S224 VanDerWaalsContact C-N 3.29Å; L222-S224 PolarHBondContact O-N 3.46Å; L222-F245 HydrophobicContact CD2-CD1 4.11Å; L222-F245 HydrophobicContact CD2-CE1 3.91Å; L222-G247 CarbonylContact C-O 3.59Å; L222-G247 WeakPolarHBondContact CA-O 3.13Å; L222-E290 HydrophobicContact CD2-CG 4.24Å; L222-V294 HydrophobicContact CD1-CG2 4.42Å; L222-V294 HydrophobicContact CD2-CG2 4Å
223	S	98.6	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	43.3	53.5	-179.5	-58.4	0	0	0	0	112.6	S199 G247 H284	S199-S223 WeakPolarHBondContact CA-O 3.32Å; S223-G247 PolarHBondContact N-O 3.12Å; S223-H284 PolarHBondContact O-CE1 2.93Å
224	S	98	Very high	96.3	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.042	17%	0.17	C	C	.	.			trans	-128	179.2	-162.1	-176.2	0	0	0	0	112.5	S199 A203 L222	S199-S224 PolarHBondContact O-OG 3.07Å; S199-S224 VanDerWaalsContact O-OG 3.14Å; A203-S224 VanDerWaalsContact CA-OG 3.27Å; A203-S224 WeakPolarHBondContact CA-OG 3.47Å; A203-S224 PolarHBondContact N-OG 3.18Å; L222-S224 VanDerWaalsContact C-N 3.29Å; L222-S224 PolarHBondContact O-N 3.46Å
225	F	97.3	Very high	96.1	Very high	26 Å²	26	31.2 Å²	31.2	11%	0.114	18%	0.184	C	C	.	.			trans	-135	169.7	175.9	52.6	-84.5	0	0	0	110.7	L155 L158 A203 L227 V255 F259 S263	L155-F225 HydrophobicContact CD1-CZ 4.13Å; L158-F225 HydrophobicContact CD2-CD1 4.4Å; L158-F225 HydrophobicContact CD2-CE1 3.75Å; L158-F225 HydrophobicContact CD2-CZ 4.01Å; A203-F225 VanDerWaalsContact CA-O 3.27Å; A203-F225 WeakPolarHBondContact CA-O 3.43Å; A203-F225 HydrophobicContact CB-CD1 4.36Å; A203-F225 HydrophobicContact CB-CD2 3.97Å; A203-F225 HydrophobicContact CB-CE1 4.24Å; A203-F225 HydrophobicContact CB-CE2 3.87Å; A203-F225 HydrophobicContact CB-CG 4.23Å; A203-F225 HydrophobicContact CB-CZ 3.99Å; A203-F225 WeakPolarHBondContact CB-O 3.27Å; F225-L227 HydrophobicContact CD2-CD2 4.01Å; F225-L227 HydrophobicContact CE2-CD2 3.5Å; F225-L227 HydrophobicContact CE2-CG 4.38Å; F225-V255 HydrophobicContact CD1-CG1 4.15Å; F225-F259 HydrophobicContact CB-CB 4.29Å; F225-F259 HydrophobicContact CB-CD2 4.32Å; F225-S263 WeakPolarHBondContact CA-OG 3.14Å
226	F	96.9	Very high	95.8	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.018	19%	0.186	C	C	.	.			trans	-104.3	118.6	-178.1	-173.8	-153.6	0	0	0	111.7	I206 L210 R229 F232 S263 I267 F270	I206-F226 HydrophobicContact CG2-CD2 3.61Å; I206-F226 HydrophobicContact CG2-CE2 3.83Å; L210-F226 HydrophobicContact CD1-CE2 3.73Å; L210-F226 HydrophobicContact CD1-CZ 3.8Å; F226-R229 HydrophobicContact CB-CG 4.15Å; F226-R229 HydrophobicContact CD1-CB 4.38Å; F226-R229 HydrophobicContact CD1-CG 3.59Å; F226-R229 HydrophobicContact CE1-CB 4.49Å; F226-R229 HydrophobicContact CE1-CG 4.14Å; F226-R229 HydrophobicContact CG-CG 3.9Å; F226-R229 WeakPolarHBondContact O-CD 3.33Å; F226-R229 WeakPolarHBondContact O-CG 3.5Å; F226-F232 HydrophobicContact CE1-CD2 4.14Å; F226-F232 HydrophobicContact CE2-CD2 4.03Å; F226-F232 AromaticContact CE2-CE2 3.71Å; F226-F232 HydrophobicContact CE2-CE2 3.71Å; F226-F232 HydrophobicContact CE2-CZ 4.23Å; F226-F232 HydrophobicContact CZ-CB 4.48Å; F226-F232 HydrophobicContact CZ-CD1 4.41Å; F226-F232 AromaticContact CZ-CD2 3.33Å; F226-F232 HydrophobicContact CZ-CD2 3.33Å; F226-F232 AromaticContact CZ-CE2 3.49Å; F226-F232 HydrophobicContact CZ-CE2 3.49Å; F226-F232 VanDerWaalsContact CZ-CE2 3.49Å; F226-F232 AromaticContact CZ-CG 3.81Å; F226-F232 HydrophobicContact CZ-CG 3.81Å; F226-F232 HydrophobicContact CZ-CZ 4.12Å; F226-S263 WeakPolarHBondContact CB-OG 3.49Å; F226-S263 PolarHBondContact N-OG 2.87Å; F226-I267 HydrophobicContact CD1-CD1 4.18Å; F226-I267 HydrophobicContact CD1-CG1 3.67Å; F226-I267 HydrophobicContact CD2-CD1 4.38Å; F226-I267 HydrophobicContact CE1-CD1 4.47Å; F226-I267 HydrophobicContact CE1-CG1 3.63Å; F226-I267 HydrophobicContact CE2-CG1 4.46Å; F226-I267 HydrophobicContact CG-CD1 4.16Å; F226-I267 HydrophobicContact CG-CG1 4.15Å; F226-I267 HydrophobicContact CZ-CG1 4.04Å; F226-F270 HydrophobicContact CE1-CE1 4.21Å; F226-F270 AromaticContact CE1-CZ 3.97Å; F226-F270 HydrophobicContact CE1-CZ 3.97Å; F226-F270 HydrophobicContact CZ-CE1 4.49Å; F226-F270 AromaticContact CZ-CZ 3.85Å; F226-F270 HydrophobicContact CZ-CZ 3.85Å
227	L	96.6	Very high	95.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	21%	0.211	C	C	.	.			trans	-80.7	156.2	178.8	-61.3	171.6	0	0	0	112.5	F153 E164 I169 A203 F225 R229	F153-L227 HydrophobicContact CE1-CD1 3.86Å; F153-L227 HydrophobicContact CE2-CD1 4.46Å; F153-L227 HydrophobicContact CE2-CD2 4.24Å; F153-L227 HydrophobicContact CZ-CD1 3.65Å; F153-L227 HydrophobicContact CZ-CD2 3.98Å; F153-L227 HydrophobicContact CZ-CG 4.45Å; E164-L227 WeakPolarHBondContact OE1-CA 3.47Å; I169-L227 HydrophobicContact CD1-CD1 4.12Å; I169-L227 HydrophobicContact CD1-CD2 4.06Å; I169-L227 HydrophobicContact CD1-CG 4.47Å; I169-L227 HydrophobicContact CG1-CD1 4.2Å; I169-L227 HydrophobicContact CG2-CD1 4.18Å; A203-L227 HydrophobicContact CB-CD1 3.93Å; A203-L227 HydrophobicContact CB-CD2 4.31Å; A203-L227 HydrophobicContact CB-CG 3.82Å; F225-L227 HydrophobicContact CD2-CD2 4.01Å; F225-L227 HydrophobicContact CE2-CD2 3.5Å; F225-L227 HydrophobicContact CE2-CG 4.38Å; L227-R229 PolarHBondContact O-N 2.86Å
228	Q	95.2	Very high	95.6	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	22%	0.222	C	C	.	.	S	Bend	trans	53.7	34.7	164	-62.1	-74.6	-47.4	0	0	112.9	E164 I169 Y207 T230 K231	E164-Q228 VanDerWaalsContact CD-N 3.29Å; E164-Q228 PolarHBondContact OE1-N 3.03Å; E164-Q228 VanDerWaalsContact OE2-CA 3.23Å; E164-Q228 WeakPolarHBondContact OE2-CA 3.43Å; E164-Q228 VanDerWaalsContact OE2-CD 3.25Å; E164-Q228 VanDerWaalsContact OE2-CG 3.29Å; E164-Q228 WeakPolarHBondContact OE2-CG 3.25Å; E164-Q228 PolarHBondContact OE2-N 3.4Å; E164-Q228 PolarHBondContact OE2-NE2 2.77Å; I169-Q228 HydrophobicContact CD1-CG 4.31Å; I169-Q228 HydrophobicContact CG2-CG 4.19Å; Y207-Q228 HydrophobicContact CD2-CB 3.78Å; Y207-Q228 HydrophobicContact CD2-CG 4.29Å; Y207-Q228 HydrophobicContact CE2-CB 3.4Å; Y207-Q228 HydrophobicContact CE2-CG 3.9Å; Q228-T230 PolarHBondContact O-N 3.24Å; Q228-K231 HydrophobicContact CB-CD 4.14Å; Q228-K231 HydrophobicContact CB-CG 4.46Å; Q228-K231 WeakPolarHBondContact O-CB 3.5Å; Q228-K231 PolarHBondContact O-N 2.93Å
229	R	93.4	Very high	95.5	Very high	67 Å²	67	37.1 Å²	37.1	25%	0.253	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-56.5	-30	-168.4	-59.3	176.1	-70.3	-151.4	-9.7	113.5	P160 F226 L227 K231 F232	P160-R229 PolarHBondContact O-NH2 3.25Å; F226-R229 HydrophobicContact CB-CG 4.15Å; F226-R229 HydrophobicContact CD1-CB 4.38Å; F226-R229 HydrophobicContact CD1-CG 3.59Å; F226-R229 HydrophobicContact CE1-CB 4.49Å; F226-R229 HydrophobicContact CE1-CG 4.14Å; F226-R229 HydrophobicContact CG-CG 3.9Å; F226-R229 WeakPolarHBondContact O-CD 3.33Å; F226-R229 WeakPolarHBondContact O-CG 3.5Å; L227-R229 PolarHBondContact O-N 2.86Å; R229-K231 PolarHBondContact O-N 3.32Å; R229-F232 PolarHBondContact O-N 2.85Å
230	T	92.9	Very high	95.4	Very high	139 Å²	139	39 Å²	39	85%	0.853	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-65.9	-16.4	178.1	53.6	0	0	0	0	113.4	Q228 F232	Q228-T230 PolarHBondContact O-N 3.24Å; T230-F232 VanDerWaalsContact C-N 3.32Å
231	K	93.4	Very high	95.3	Very high	62 Å²	62	41.3 Å²	41.3	27%	0.27	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-82	-6.8	176.7	-63.8	-174.6	173.6	162.8	0	113.7	E166 Y207 Q228 R229 G234	E166-K231 WeakPolarHBondContact OE1-CE 3.32Å; E166-K231 IonicContact OE1-NZ 2.86Å; E166-K231 PolarHBondContact OE1-NZ 2.95Å; Y207-K231 HydrophobicContact CE2-CD 4.4Å; Y207-K231 WeakPolarHBondContact OH-CD 3.36Å; Q228-K231 HydrophobicContact CB-CD 4.14Å; Q228-K231 HydrophobicContact CB-CG 4.46Å; Q228-K231 WeakPolarHBondContact O-CB 3.5Å; Q228-K231 PolarHBondContact O-N 2.93Å; R229-K231 PolarHBondContact O-N 3.32Å; K231-G234 WeakPolarHBondContact O-CA 3.34Å; K231-G234 PolarHBondContact O-N 2.89Å
232	F	94.7	Very high	95.3	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.114	25%	0.25	C	S	.	.			trans	-107.1	143.5	-176.4	-67.4	-84.7	0	0	0	113.1	Y207 L210 T211 F226 R229 T230 F270	Y207-F232 AromaticContact CD2-CE2 3.64Å; Y207-F232 HydrophobicContact CD2-CE2 3.64Å; Y207-F232 AromaticContact CD2-CZ 3.82Å; Y207-F232 HydrophobicContact CD2-CZ 3.82Å; Y207-F232 AromaticContact CE2-CE2 3.79Å; Y207-F232 HydrophobicContact CE2-CE2 3.79Å; Y207-F232 HydrophobicContact CE2-CZ 4.01Å; L210-F232 HydrophobicContact CB-CE1 3.56Å; L210-F232 HydrophobicContact CB-CZ 3.81Å; L210-F232 HydrophobicContact CD1-CE1 4.03Å; L210-F232 HydrophobicContact CD1-CZ 4.15Å; L210-F232 HydrophobicContact CG-CE1 4.39Å; T211-F232 HydrophobicContact CG2-CE1 4.32Å; T211-F232 HydrophobicContact CG2-CZ 3.85Å; F226-F232 HydrophobicContact CE1-CD2 4.14Å; F226-F232 HydrophobicContact CE2-CD2 4.03Å; F226-F232 AromaticContact CE2-CE2 3.71Å; F226-F232 HydrophobicContact CE2-CE2 3.71Å; F226-F232 HydrophobicContact CE2-CZ 4.23Å; F226-F232 HydrophobicContact CZ-CB 4.48Å; F226-F232 HydrophobicContact CZ-CD1 4.41Å; F226-F232 AromaticContact CZ-CD2 3.33Å; F226-F232 HydrophobicContact CZ-CD2 3.33Å; F226-F232 AromaticContact CZ-CE2 3.49Å; F226-F232 HydrophobicContact CZ-CE2 3.49Å; F226-F232 VanDerWaalsContact CZ-CE2 3.49Å; F226-F232 AromaticContact CZ-CG 3.81Å; F226-F232 HydrophobicContact CZ-CG 3.81Å; F226-F232 HydrophobicContact CZ-CZ 4.12Å; R229-F232 PolarHBondContact O-N 2.85Å; T230-F232 VanDerWaalsContact C-N 3.32Å; F232-F270 HydrophobicContact CB-CD1 4.13Å; F232-F270 HydrophobicContact CB-CE1 3.56Å; F232-F270 HydrophobicContact CB-CE2 4.39Å; F232-F270 HydrophobicContact CB-CZ 3.72Å; F232-F270 HydrophobicContact CD1-CE1 4.46Å; F232-F270 AromaticContact CD1-CE2 3.81Å; F232-F270 HydrophobicContact CD1-CE2 3.81Å; F232-F270 AromaticContact CD1-CZ 3.76Å; F232-F270 HydrophobicContact CD1-CZ 3.76Å; F232-F270 HydrophobicContact CG-CE1 4.16Å; F232-F270 HydrophobicContact CG-CE2 4.31Å; F232-F270 AromaticContact CG-CZ 3.79Å; F232-F270 HydrophobicContact CG-CZ 3.79Å
233	P	87.4	Confident	95.3	Very high	72 Å²	72	42 Å²	42	47%	0.468	26%	0.255	S	S	.	.	S	Bend	cis	-74.5	-16.7	5.3	29.7	-35.5	0	0	0	115	F270	P233-F270 HydrophobicContact CB-CB 3.81Å; P233-F270 HydrophobicContact CB-CG 4.18Å
234	G	89.8	Confident	95.3	Very high	50 Å²	50	42.1 Å²	42.1	52%	0.515	26%	0.256	S	S	.	.	S	Bend	trans	55.6	-153.7	175.3	0	0	0	0	0	114	K231	K231-G234 WeakPolarHBondContact O-CA 3.34Å; K231-G234 PolarHBondContact O-N 2.89Å
235	S	93.5	Very high	95.3	Very high	101 Å²	101	42.1 Å²	42.1	71%	0.706	26%	0.255	S	S	*	.	S	Bend	trans	-94	-11.6	174.9	53	0	0	0	0	113.7	T237	S235-T237 PolarHBondContact O-N 3.07Å; S235-T237 VanDerWaalsContact O-N 3.15Å
236	F	91.9	Very high	95.4	Very high	87 Å²	87	41.2 Å²	41.2	38%	0.382	25%	0.251	S	S	.	.			trans	-80.8	93.2	-179.9	-60.6	-75	0	0	0	110.5	T211	T211-F236 HydrophobicContact CG2-CD2 3.75Å; T211-F236 HydrophobicContact CG2-CE2 3.99Å; T211-F236 HydrophobicContact CG2-CG 4.06Å; T211-F236 HydrophobicContact CG2-CZ 4.49Å; T211-F236 WeakPolarHBondContact O-CD1 3.46Å; T211-F236 WeakPolarHBondContact O-CE1 3.27Å
237	T	95.7	Very high	95.5	Very high	89 Å²	89	41.1 Å²	41.1	55%	0.546	25%	0.251	S	S	.	.			trans	-110.2	-11.1	-173.2	57.6	0	0	0	0	114.5	S235 N239 N240	S235-T237 PolarHBondContact O-N 3.07Å; S235-T237 VanDerWaalsContact O-N 3.15Å; T237-N239 PolarHBondContact O-N 3.46Å; T237-N239 VanDerWaalsContact O-N 3.12Å; T237-N240 WeakPolarHBondContact O-CB 3.42Å; T237-N240 PolarHBondContact O-N 3.05Å; T237-N240 VanDerWaalsContact O-N 3.17Å
238	A	97.5	Very high	95.6	Very high	37 Å²	37	41.1 Å²	41.1	31%	0.306	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.1	-176.8	0	0	0	0	0	113.2	P213 K215	P213-A238 VanDerWaalsContact O-CB 3.3Å; P213-A238 WeakPolarHBondContact O-CB 3.26Å; K215-A238 WeakPolarHBondContact CD-O 3.36Å
239	N	98	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11	-175.9	-72.7	-68.4	0	0	0	114.7	G209 Y212 Q214 L216 T237 A241 T242 N271	G209-N239 WeakPolarHBondContact O-CB 3.21Å; G209-N239 PolarHBondContact O-ND2 3.23Å; G209-N239 VanDerWaalsContact O-ND2 3.07Å; Y212-N239 PolarHBondContact O-ND2 3.15Å; Q214-N239 PolarHBondContact O-ND2 3.18Å; L216-N239 WeakPolarHBondContact CB-OD1 3.44Å; L216-N239 PolarHBondContact N-OD1 2.93Å; T237-N239 PolarHBondContact O-N 3.46Å; T237-N239 VanDerWaalsContact O-N 3.12Å; N239-A241 PolarHBondContact O-N 3.16Å; N239-A241 VanDerWaalsContact O-N 3.1Å; N239-T242 WeakPolarHBondContact CA-OG1 3.46Å; N239-T242 WeakPolarHBondContact O-CB 3.27Å; N239-T242 PolarHBondContact O-N 3.27Å; N239-T242 VanDerWaalsContact O-N 3.07Å; N239-T242 PolarHBondContact O-OG1 3.14Å; N239-T242 PolarHBondContact OD1-OG1 3Å; N239-N271 PolarHBondContact O-ND2 3.48Å
240	N	96.2	Very high	96	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12	178.1	-76	-0.8	0	0	0	114.7	T237 F270 N271	T237-N240 WeakPolarHBondContact O-CB 3.42Å; T237-N240 PolarHBondContact O-N 3.05Å; T237-N240 VanDerWaalsContact O-N 3.17Å; N240-F270 WeakPolarHBondContact CB-O 3.34Å; N240-N271 VanDerWaalsContact O-CA 3.23Å; N240-N271 WeakPolarHBondContact O-CA 3.4Å; N240-N271 WeakPolarHBondContact O-CB 3.5Å; N240-N271 PolarHBondContact O-OD1 2.81Å
241	A	96.9	Very high	96.3	Very high	48 Å²	48	37.3 Å²	37.3	40%	0.397	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	17.3	175	0	0	0	0	0	112.2	K215 N239 K273	K215-A241 PolarHBondContact NZ-O 3.19Å; N239-A241 PolarHBondContact O-N 3.16Å; N239-A241 VanDerWaalsContact O-N 3.1Å; A241-K273 WeakPolarHBondContact O-CD 3.42Å; A241-K273 WeakPolarHBondContact O-CE 3.28Å; A241-K273 PolarHBondContact O-NZ 3.07Å
242	T	98.5	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-81	130.8	-177.2	-64.1	0	0	0	0	107.2	K215 L216 I219 N239 I244 N271	K215-T242 WeakPolarHBondContact CD-OG1 3.27Å; K215-T242 VanDerWaalsContact CE-OG1 3.29Å; K215-T242 WeakPolarHBondContact CE-OG1 3.28Å; K215-T242 PolarHBondContact NZ-OG1 2.79Å; L216-T242 HydrophobicContact CB-CG2 4.22Å; L216-T242 WeakPolarHBondContact O-CG2 3.3Å; I219-T242 HydrophobicContact CD1-CG2 4.33Å; I219-T242 HydrophobicContact CG1-CG2 4.11Å; N239-T242 WeakPolarHBondContact CA-OG1 3.46Å; N239-T242 WeakPolarHBondContact O-CB 3.27Å; N239-T242 PolarHBondContact O-N 3.27Å; N239-T242 VanDerWaalsContact O-N 3.07Å; N239-T242 PolarHBondContact O-OG1 3.14Å; N239-T242 PolarHBondContact OD1-OG1 3Å; T242-I244 WeakPolarHBondContact O-CG1 3.43Å; T242-I244 PolarHBondContact O-N 3.5Å; T242-N271 PolarHBondContact O-ND2 3.01Å; T242-N271 PolarHBondContact O-OD1 3Å
243	P	98.8	Very high	96.5	Very high	17 Å²	17	40.1 Å²	40.1	11%	0.11	25%	0.246	C	C	.	.			trans	-54.6	131.3	173.9	-24	34.1	0	0	0	110.7	G218 I219 K273 F297	G218-P243 WeakPolarHBondContact CA-O 3.45Å; I219-P243 PolarHBondContact N-O 3.37Å; P243-K273 HydrophobicContact CG-CD 4.49Å; P243-F297 HydrophobicContact CB-CE2 3.61Å; P243-F297 HydrophobicContact CB-CZ 3.88Å
244	I	98.8	Very high	96.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.7	178.1	-50.2	-172.3	0	0	0	108.7	L210 I219 T242 L246 I267 N271 K273 V274 E275	L210-I244 HydrophobicContact CD2-CD1 3.85Å; L210-I244 HydrophobicContact CG-CD1 4.44Å; I219-I244 HydrophobicContact CB-CB 4.41Å; I219-I244 HydrophobicContact CB-CG1 4.05Å; I219-I244 HydrophobicContact CB-CG2 4.12Å; I219-I244 HydrophobicContact CD1-CD1 4.05Å; I219-I244 HydrophobicContact CD1-CG1 4.22Å; I219-I244 HydrophobicContact CG2-CG2 4.11Å; I219-I244 CarbonylContact O-C 3.36Å; I219-I244 WeakPolarHBondContact O-CA 3.33Å; T242-I244 WeakPolarHBondContact O-CG1 3.43Å; T242-I244 PolarHBondContact O-N 3.5Å; I244-L246 HydrophobicContact CG2-CD2 4Å; I244-L246 HydrophobicContact CG2-CG 4.34Å; I244-I267 HydrophobicContact CD1-CG2 3.85Å; I244-N271 VanDerWaalsContact CD1-ND2 3.34Å; I244-N271 WeakPolarHBondContact CD1-ND2 3.4Å; I244-K273 PolarHBondContact N-O 2.96Å; I244-K273 VanDerWaalsContact N-O 3.16Å; I244-V274 HydrophobicContact CB-CB 4.04Å; I244-V274 HydrophobicContact CB-CG2 3.95Å; I244-V274 HydrophobicContact CG2-CG2 3.91Å; I244-V274 WeakPolarHBondContact O-CA 3.34Å; I244-E275 PolarHBondContact O-N 3.22Å
245	F	98.8	Very high	97.2	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.2	174.6	-177.7	-80.6	0	0	0	109.4	I219 V220 G221 L222 H277 Y279 D293 V294 F297	I219-F245 PolarHBondContact O-N 2.95Å; V220-F245 CarbonylContact C-O 3.55Å; V220-F245 WeakPolarHBondContact CA-O 3.32Å; V220-F245 HydrophobicContact CG1-CD1 4.1Å; V220-F245 HydrophobicContact CG2-CB 4.41Å; G221-F245 PolarHBondContact N-O 2.97Å; L222-F245 HydrophobicContact CD2-CD1 4.11Å; L222-F245 HydrophobicContact CD2-CE1 3.91Å; F245-H277 AromaticContact CD2-CD2 3.52Å; F245-H277 AromaticContact CD2-NE2 3.59Å; F245-H277 HydrophobicContact CE2-CB 4.41Å; F245-H277 AromaticContact CE2-CD2 3.25Å; F245-H277 WeakPolarHBondContact CE2-CD2 3.2Å; F245-H277 AromaticContact CE2-CG 3.72Å; F245-H277 AromaticContact CE2-NE2 3.51Å; F245-H277 HydrophobicContact CZ-CB 4.15Å; F245-H277 AromaticContact CZ-CD2 3.76Å; F245-H277 AromaticContact CZ-CG 3.96Å; F245-Y279 WeakPolarHBondContact CZ-OH 3.27Å; F245-D293 HydrophobicContact CE2-CB 3.92Å; F245-D293 HydrophobicContact CZ-CB 3.82Å; F245-V294 HydrophobicContact CD1-CG2 4.1Å; F245-V294 HydrophobicContact CE1-CG2 3.65Å; F245-V294 HydrophobicContact CZ-CG2 4.11Å; F245-F297 HydrophobicContact CB-CD1 4.1Å; F245-F297 HydrophobicContact CB-CD2 3.78Å; F245-F297 HydrophobicContact CB-CE1 4.14Å; F245-F297 HydrophobicContact CB-CE2 3.8Å; F245-F297 HydrophobicContact CB-CG 3.92Å; F245-F297 HydrophobicContact CB-CZ 3.99Å; F245-F297 HydrophobicContact CD2-CB 4.12Å; F245-F297 HydrophobicContact CD2-CD2 4.21Å; F245-F297 HydrophobicContact CD2-CG 4.22Å; F245-F297 HydrophobicContact CG-CD2 4.43Å; F245-F297 HydrophobicContact CG-CG 4.35Å
246	L	98.9	Very high	97.3	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127	168.4	-55.2	-179.5	0	0	0	108.9	I206 G221 I244 E264 V274 E275 L276 H277	I206-L246 HydrophobicContact CD1-CD2 3.75Å; I206-L246 HydrophobicContact CG1-CD2 4.33Å; G221-L246 CarbonylContact O-C 3.53Å; G221-L246 VanDerWaalsContact O-CA 3.26Å; G221-L246 WeakPolarHBondContact O-CA 3.38Å; I244-L246 HydrophobicContact CG2-CD2 4Å; I244-L246 HydrophobicContact CG2-CG 4.34Å; L246-E264 HydrophobicContact CD1-CB 4.06Å; L246-V274 HydrophobicContact CD1-CG2 3.65Å; L246-V274 HydrophobicContact CG-CG2 3.91Å; L246-E275 PolarHBondContact N-O 3Å; L246-L276 HydrophobicContact CB-CB 4.39Å; L246-L276 HydrophobicContact CB-CD1 3.68Å; L246-L276 CarbonylContact O-C 3.6Å; L246-L276 WeakPolarHBondContact O-CA 3.34Å; L246-H277 PolarHBondContact O-N 2.82Å
247	G	98.8	Very high	97.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138	173.3	0	0	0	0	0	110.1	G221 L222 S223 H277 E290	G221-G247 PolarHBondContact O-N 3.28Å; L222-G247 CarbonylContact C-O 3.59Å; L222-G247 WeakPolarHBondContact CA-O 3.13Å; S223-G247 PolarHBondContact N-O 3.12Å; G247-H277 CarbonylContact C-O 3.58Å; G247-H277 WeakPolarHBondContact CA-O 3.18Å; G247-E290 WeakPolarHBondContact CA-OE1 3.36Å
248	H	98.7	Very high	97.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	139.1	-178.2	-142.3	114.7	0	0	0	113	D252 V255 L257 L276 H277 T278 Y279	H248-D252 IonicContact CD2-OD2 2.74Å; H248-D252 IonicContact NE2-OD2 3.87Å; H248-D252 PolarHBondContact NE2-OD2 2.95Å; H248-V255 PolarHBondContact NE2-O 2.78Å; H248-L257 HydrophobicContact CB-CD1 3.7Å; H248-L276 HydrophobicContact CB-CD1 4.08Å; H248-H277 PolarHBondContact N-O 2.97Å; H248-T278 CarbonylContact O-C 3.56Å; H248-T278 VanDerWaalsContact O-CA 3.26Å; H248-T278 WeakPolarHBondContact O-CA 3.49Å; H248-Y279 PolarHBondContact O-N 3.04Å
249	G	98.6	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.9	174.4	0	0	0	0	0	112.9	D251 M282	G249-D251 PolarHBondContact O-N 2.85Å; G249-M282 CarbonylContact C-O 3.47Å; G249-M282 VanDerWaalsContact C-O 3.22Å; G249-M282 WeakPolarHBondContact CA-O 3.42Å; G249-M282 VanDerWaalsContact N-CE 3.32Å
250	T	98.5	Very high	97.6	Very high	51 Å²	51	32.3 Å²	32.3	31%	0.313	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21	178	61.9	0	0	0	0	113.5	L257 Y279 R280 G281 M282	T250-L257 HydrophobicContact CG2-CD2 4.49Å; T250-Y279 PolarHBondContact N-O 2.75Å; T250-Y279 VanDerWaalsContact N-O 3.08Å; T250-R280 WeakPolarHBondContact OG1-CA 3.45Å; T250-G281 PolarHBondContact OG1-N 3.03Å; T250-M282 PolarHBondContact N-O 2.91Å
251	D	98.2	Very high	97.7	Very high	87 Å²	87	34.2 Å²	34.2	47%	0.465	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	20.1	-173.4	-63	22.8	0	0	0	110.6	G249 F253 M282 Q283	G249-D251 PolarHBondContact O-N 2.85Å; D251-F253 PolarHBondContact O-N 3.16Å; D251-M282 CarbonylContact C-O 3.53Å; D251-M282 PolarHBondContact N-O 3.04Å; D251-Q283 HydrophobicContact CB-CG 4.11Å
252	D	98	Very high	97.7	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.053	18%	0.175	C	C	.	.			trans	-66.1	113.6	176.5	-169	-23.7	0	0	0	110.7	H248 L254 V255 P256 H284	H248-D252 IonicContact CD2-OD2 2.74Å; H248-D252 IonicContact NE2-OD2 3.87Å; H248-D252 PolarHBondContact NE2-OD2 2.95Å; D252-L254 PolarHBondContact OD1-N 3.37Å; D252-V255 WeakPolarHBondContact CB-O 3.3Å; D252-V255 PolarHBondContact OD1-N 2.93Å; D252-V255 VanDerWaalsContact OD2-O 3.09Å; D252-P256 WeakPolarHBondContact O-CA 3.39Å; D252-H284 WeakPolarHBondContact OD1-CB 3.47Å; D252-H284 IonicContact OD1-CG 3.27Å; D252-H284 IonicContact OD1-ND1 2.73Å; D252-H284 PolarHBondContact OD1-ND1 3.36Å; D252-H284 IonicContact OD2-CE1 3.32Å; D252-H284 IonicContact OD2-CG 2.74Å; D252-H284 IonicContact OD2-ND1 3.75Å; D252-H284 PolarHBondContact OD2-ND1 3.26Å
253	F	95.5	Very high	97.7	Very high	137 Å²	137	34.6 Å²	34.6	60%	0.601	18%	0.176	S	C	*	.	S	Bend	trans	-96.6	-9	-179.4	65.7	-91.8	0	0	0	113.5	D251 Q283	D251-F253 PolarHBondContact O-N 3.16Å; F253-Q283 HydrophobicContact CD1-CB 4.35Å; F253-Q283 HydrophobicContact CE1-CB 4.28Å
254	L	94.9	Very high	97.7	Very high	58 Å²	58	35.6 Å²	35.6	30%	0.304	18%	0.179	S	C	.	.	S	Bend	trans	-97.3	-47.8	-179.9	-71.2	179.1	0	0	0	111.4	D252 H284	D252-L254 PolarHBondContact OD1-N 3.37Å; L254-H284 HydrophobicContact CB-CB 4.05Å; L254-H284 HydrophobicContact CD1-CB 3.91Å; L254-H284 HydrophobicContact CG-CB 4.22Å
255	V	96.3	Very high	97.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.206	C	C	.	.	S	Bend	trans	-120.5	88.3	173	-177.4	0	0	0	0	106.3	F225 H248 D252 L257 F259 H284	F225-V255 HydrophobicContact CD1-CG1 4.15Å; H248-V255 PolarHBondContact NE2-O 2.78Å; D252-V255 WeakPolarHBondContact CB-O 3.3Å; D252-V255 PolarHBondContact OD1-N 2.93Å; D252-V255 VanDerWaalsContact OD2-O 3.09Å; V255-L257 PolarHBondContact O-N 3.01Å; V255-F259 HydrophobicContact CG1-CB 4.04Å; V255-F259 HydrophobicContact CG1-CD2 3.98Å; V255-F259 HydrophobicContact CG1-CG 4.41Å; V255-H284 VanDerWaalsContact CG2-CE1 3.5Å; V255-H284 WeakPolarHBondContact CG2-CE1 3.44Å
256	P	96.7	Very high	97.5	Very high	42 Å²	42	45.6 Å²	45.6	27%	0.273	22%	0.222	S	C	.	.			trans	-53.2	143.7	-174.2	-27	34.9	0	0	0	112.2	D252 Q258 F259	D252-P256 WeakPolarHBondContact O-CA 3.39Å; P256-Q258 PolarHBondContact O-N 3.41Å; P256-F259 WeakPolarHBondContact O-CB 3.34Å; P256-F259 PolarHBondContact O-N 3.23Å
257	L	97.9	Very high	97.5	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-48	-32.2	179.9	172.3	61.8	0	0	0	113.1	H248 T250 V255 F259 G260 Q261 T278	H248-L257 HydrophobicContact CB-CD1 3.7Å; T250-L257 HydrophobicContact CG2-CD2 4.49Å; V255-L257 PolarHBondContact O-N 3.01Å; L257-F259 PolarHBondContact O-N 3.48Å; L257-G260 PolarHBondContact O-N 2.99Å; L257-Q261 HydrophobicContact CD1-CG 4.32Å; L257-Q261 HydrophobicContact CG-CG 4.22Å; L257-Q261 WeakPolarHBondContact O-CG 3.32Å; L257-Q261 PolarHBondContact O-N 3.21Å; L257-T278 HydrophobicContact CD1-CG2 3.72Å; L257-T278 HydrophobicContact CD2-CG2 4.34Å
258	Q	97.3	Very high	97.4	Very high	112 Å²	112	50 Å²	50	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-55.2	-32.1	176.2	-65.3	80.4	5.4	0	0	112.5	P256 Q261 M262	P256-Q258 PolarHBondContact O-N 3.41Å; Q258-Q261 PolarHBondContact O-N 2.66Å; Q258-M262 WeakPolarHBondContact O-CB 3.34Å; Q258-M262 WeakPolarHBondContact O-CG 3.28Å; Q258-M262 PolarHBondContact O-N 2.73Å
259	F	96.8	Very high	97.3	Very high	29 Å²	29	57.4 Å²	57.4	13%	0.127	27%	0.273	C	S	.	.	H	α-helix	trans	-70.2	-39.8	177.6	-72.9	18.4	0	0	0	111.4	L158 P160 F225 V255 P256 L257 M262 S263	L158-F259 WeakPolarHBondContact O-CE2 3.5Å; L158-F259 WeakPolarHBondContact O-CZ 3.24Å; P160-F259 HydrophobicContact CG-CD1 4.14Å; P160-F259 HydrophobicContact CG-CE1 3.57Å; P160-F259 HydrophobicContact CG-CZ 4.03Å; F225-F259 HydrophobicContact CB-CB 4.29Å; F225-F259 HydrophobicContact CB-CD2 4.32Å; V255-F259 HydrophobicContact CG1-CB 4.04Å; V255-F259 HydrophobicContact CG1-CD2 3.98Å; V255-F259 HydrophobicContact CG1-CG 4.41Å; P256-F259 WeakPolarHBondContact O-CB 3.34Å; P256-F259 PolarHBondContact O-N 3.23Å; L257-F259 PolarHBondContact O-N 3.48Å; F259-M262 PolarHBondContact O-N 3.19Å; F259-S263 WeakPolarHBondContact O-CB 3.22Å; F259-S263 PolarHBondContact O-N 2.84Å; F259-S263 PolarHBondContact O-OG 3.03Å
260	G	97.5	Very high	97.2	Very high	3 Å²	3	58.8 Å²	58.8	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-45.1	172	0	0	0	0	0	111.6	L257 S263 E264	L257-G260 PolarHBondContact O-N 2.99Å; G260-S263 WeakPolarHBondContact O-CB 3.43Å; G260-S263 PolarHBondContact O-N 3.07Å; G260-E264 PolarHBondContact O-N 3.1Å
261	Q	98.2	Very high	97.1	Very high	79 Å²	79	56.4 Å²	56.4	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176	-68.7	174.7	-27.5	0	0	112.5	L257 Q258 S263 E264 Q265 L276	L257-Q261 HydrophobicContact CD1-CG 4.32Å; L257-Q261 HydrophobicContact CG-CG 4.22Å; L257-Q261 WeakPolarHBondContact O-CG 3.32Å; L257-Q261 PolarHBondContact O-N 3.21Å; Q258-Q261 PolarHBondContact O-N 2.66Å; Q261-S263 VanDerWaalsContact C-N 3.31Å; Q261-S263 PolarHBondContact O-N 3.2Å; Q261-E264 PolarHBondContact O-N 3.18Å; Q261-Q265 WeakPolarHBondContact O-CB 3.29Å; Q261-Q265 VanDerWaalsContact O-CG 3.29Å; Q261-Q265 WeakPolarHBondContact O-CG 3.48Å; Q261-Q265 PolarHBondContact O-N 2.91Å; Q261-L276 HydrophobicContact CB-CD2 4.33Å; Q261-L276 HydrophobicContact CG-CD2 3.68Å
262	M	97.1	Very high	97.1	Very high	53 Å²	53	56.9 Å²	56.9	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-43.5	174.3	-74	175.2	70.3	0	0	110.9	P160 Q258 F259 Q265 Y266	P160-M262 HydrophobicContact CB-CE 3.85Å; P160-M262 HydrophobicContact CB-SD 4.43Å; P160-M262 HydrophobicContact CG-CE 4.22Å; P160-M262 HydrophobicContact CG-SD 4.16Å; Q258-M262 WeakPolarHBondContact O-CB 3.34Å; Q258-M262 WeakPolarHBondContact O-CG 3.28Å; Q258-M262 PolarHBondContact O-N 2.73Å; F259-M262 PolarHBondContact O-N 3.19Å; M262-Q265 PolarHBondContact O-N 2.7Å; M262-Y266 HydrophobicContact CB-CD2 4.49Å; M262-Y266 HydrophobicContact CE-CE2 4.2Å; M262-Y266 WeakPolarHBondContact O-CD2 3.44Å; M262-Y266 PolarHBondContact O-N 3.21Å
263	S	97.5	Very high	97.1	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-48.7	178.3	-59.8	0	0	0	0	111.3	F225 F226 F259 G260 Q261 Q265 Y266 I267	F225-S263 WeakPolarHBondContact CA-OG 3.14Å; F226-S263 WeakPolarHBondContact CB-OG 3.49Å; F226-S263 PolarHBondContact N-OG 2.87Å; F259-S263 WeakPolarHBondContact O-CB 3.22Å; F259-S263 PolarHBondContact O-N 2.84Å; F259-S263 PolarHBondContact O-OG 3.03Å; G260-S263 WeakPolarHBondContact O-CB 3.43Å; G260-S263 PolarHBondContact O-N 3.07Å; Q261-S263 VanDerWaalsContact C-N 3.31Å; Q261-S263 PolarHBondContact O-N 3.2Å; S263-Q265 PolarHBondContact O-N 3.27Å; S263-Y266 PolarHBondContact O-N 2.88Å; S263-I267 WeakPolarHBondContact O-CB 3.42Å; S263-I267 WeakPolarHBondContact O-CD1 3.36Å; S263-I267 WeakPolarHBondContact O-CG1 3.33Å; S263-I267 PolarHBondContact O-N 3.27Å
264	E	98.3	Very high	97.2	Very high	37 Å²	37	54.9 Å²	54.9	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-55.2	-52.9	173.3	-168.5	-156.8	-172.3	0	0	110.6	L246 G260 Q261 Y266 I267 K268 V274 L276	L246-E264 HydrophobicContact CD1-CB 4.06Å; G260-E264 PolarHBondContact O-N 3.1Å; Q261-E264 PolarHBondContact O-N 3.18Å; E264-Y266 VanDerWaalsContact C-N 3.32Å; E264-Y266 PolarHBondContact O-N 2.94Å; E264-I267 PolarHBondContact O-N 2.74Å; E264-K268 VanDerWaalsContact O-CB 3.26Å; E264-K268 WeakPolarHBondContact O-CB 3.16Å; E264-K268 PolarHBondContact O-N 2.82Å; E264-K268 IonicContact OE1-NZ 3.63Å; E264-K268 PolarHBondContact OE1-NZ 3.01Å; E264-V274 HydrophobicContact CG-CG1 4Å; E264-V274 HydrophobicContact CG-CG2 4.17Å; E264-L276 HydrophobicContact CB-CB 4.2Å; E264-L276 HydrophobicContact CG-CB 4.07Å
265	Q	97.7	Very high	97.4	Very high	125 Å²	125	57.7 Å²	57.7	58%	0.584	28%	0.275	S	S	*	.	H	α-helix	trans	-58.1	-39.2	-178.8	-73.9	176.4	1.2	0	0	113.4	Q261 M262 S263	Q261-Q265 WeakPolarHBondContact O-CB 3.29Å; Q261-Q265 VanDerWaalsContact O-CG 3.29Å; Q261-Q265 WeakPolarHBondContact O-CG 3.48Å; Q261-Q265 PolarHBondContact O-N 2.91Å; M262-Q265 PolarHBondContact O-N 2.7Å; S263-Q265 PolarHBondContact O-N 3.27Å
266	Y	96.8	Very high	97.5	Very high	93 Å²	93	59.2 Å²	59.2	37%	0.365	28%	0.282	S	S	.	.	H	α-helix	trans	-70	-46.5	176.3	-82.5	-71	0	0	0	111.8	M262 S263 E264 K269 F270	M262-Y266 HydrophobicContact CB-CD2 4.49Å; M262-Y266 HydrophobicContact CE-CE2 4.2Å; M262-Y266 WeakPolarHBondContact O-CD2 3.44Å; M262-Y266 PolarHBondContact O-N 3.21Å; S263-Y266 PolarHBondContact O-N 2.88Å; E264-Y266 VanDerWaalsContact C-N 3.32Å; E264-Y266 PolarHBondContact O-N 2.94Å; Y266-K269 WeakPolarHBondContact O-CB 3.35Å; Y266-K269 PolarHBondContact O-N 3.4Å; Y266-F270 WeakPolarHBondContact O-CE1 3.34Å
267	I	97.7	Very high	97.6	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-40.2	-178	-66.6	166.4	0	0	0	110.8	I206 F226 I244 S263 E264 K269 F270 N271 V274	I206-I267 HydrophobicContact CG2-CD1 3.8Å; F226-I267 HydrophobicContact CD1-CD1 4.18Å; F226-I267 HydrophobicContact CD1-CG1 3.67Å; F226-I267 HydrophobicContact CD2-CD1 4.38Å; F226-I267 HydrophobicContact CE1-CD1 4.47Å; F226-I267 HydrophobicContact CE1-CG1 3.63Å; F226-I267 HydrophobicContact CE2-CG1 4.46Å; F226-I267 HydrophobicContact CG-CD1 4.16Å; F226-I267 HydrophobicContact CG-CG1 4.15Å; F226-I267 HydrophobicContact CZ-CG1 4.04Å; I244-I267 HydrophobicContact CD1-CG2 3.85Å; S263-I267 WeakPolarHBondContact O-CB 3.42Å; S263-I267 WeakPolarHBondContact O-CD1 3.36Å; S263-I267 WeakPolarHBondContact O-CG1 3.33Å; S263-I267 PolarHBondContact O-N 3.27Å; E264-I267 PolarHBondContact O-N 2.74Å; I267-K269 PolarHBondContact O-N 3.47Å; I267-F270 HydrophobicContact CB-CZ 4.28Å; I267-F270 HydrophobicContact CG1-CZ 4.19Å; I267-F270 HydrophobicContact CG2-CE2 4.4Å; I267-F270 HydrophobicContact CG2-CZ 4.3Å; I267-F270 PolarHBondContact O-N 2.75Å; I267-N271 HydrophobicContact CG2-CB 4.06Å; I267-N271 PolarHBondContact O-N 2.76Å; I267-V274 HydrophobicContact CB-CB 4.39Å; I267-V274 HydrophobicContact CB-CG1 4.1Å; I267-V274 HydrophobicContact CB-CG2 4.38Å; I267-V274 HydrophobicContact CG2-CB 3.76Å; I267-V274 HydrophobicContact CG2-CG1 3.81Å; I267-V274 HydrophobicContact CG2-CG2 4.06Å
268	K	97.4	Very high	97.7	Very high	101 Å²	101	62.3 Å²	62.3	44%	0.439	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20	-177.6	-147.5	163.6	-150.1	158.5	0	113.7	E264 F270 N271 V274	E264-K268 VanDerWaalsContact O-CB 3.26Å; E264-K268 WeakPolarHBondContact O-CB 3.16Å; E264-K268 PolarHBondContact O-N 2.82Å; E264-K268 IonicContact OE1-NZ 3.63Å; E264-K268 PolarHBondContact OE1-NZ 3.01Å; K268-F270 VanDerWaalsContact C-N 3.27Å; K268-F270 PolarHBondContact O-N 3.1Å; K268-N271 WeakPolarHBondContact CA-O 3.47Å; K268-V274 HydrophobicContact CB-CG1 3.79Å; K268-V274 HydrophobicContact CD-CG1 4.42Å; K268-V274 HydrophobicContact CG-CG1 3.97Å
269	K	96.5	Very high	97.7	Very high	157 Å²	157	57.3 Å²	57.3	68%	0.683	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-27	174.5	-64.3	175	-176.9	175.4	0	113.3	Y266 I267	Y266-K269 WeakPolarHBondContact O-CB 3.35Å; Y266-K269 PolarHBondContact O-N 3.4Å; I267-K269 PolarHBondContact O-N 3.47Å
270	F	96	Very high	97.8	Very high	30 Å²	30	67.3 Å²	67.3	13%	0.132	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-15.6	-176.9	60.5	-93.6	0	0	0	114.1	L210 F226 F232 P233 N240 Y266 I267 K268	L210-F270 HydrophobicContact CD1-CE2 3.99Å; L210-F270 HydrophobicContact CD1-CZ 4.1Å; L210-F270 HydrophobicContact CD2-CE2 4.04Å; F226-F270 HydrophobicContact CE1-CE1 4.21Å; F226-F270 AromaticContact CE1-CZ 3.97Å; F226-F270 HydrophobicContact CE1-CZ 3.97Å; F226-F270 HydrophobicContact CZ-CE1 4.49Å; F226-F270 AromaticContact CZ-CZ 3.85Å; F226-F270 HydrophobicContact CZ-CZ 3.85Å; F232-F270 HydrophobicContact CB-CD1 4.13Å; F232-F270 HydrophobicContact CB-CE1 3.56Å; F232-F270 HydrophobicContact CB-CE2 4.39Å; F232-F270 HydrophobicContact CB-CZ 3.72Å; F232-F270 HydrophobicContact CD1-CE1 4.46Å; F232-F270 AromaticContact CD1-CE2 3.81Å; F232-F270 HydrophobicContact CD1-CE2 3.81Å; F232-F270 AromaticContact CD1-CZ 3.76Å; F232-F270 HydrophobicContact CD1-CZ 3.76Å; F232-F270 HydrophobicContact CG-CE1 4.16Å; F232-F270 HydrophobicContact CG-CE2 4.31Å; F232-F270 AromaticContact CG-CZ 3.79Å; F232-F270 HydrophobicContact CG-CZ 3.79Å; P233-F270 HydrophobicContact CB-CB 3.81Å; P233-F270 HydrophobicContact CB-CG 4.18Å; N240-F270 WeakPolarHBondContact CB-O 3.34Å; Y266-F270 WeakPolarHBondContact O-CE1 3.34Å; I267-F270 HydrophobicContact CB-CZ 4.28Å; I267-F270 HydrophobicContact CG1-CZ 4.19Å; I267-F270 HydrophobicContact CG2-CE2 4.4Å; I267-F270 HydrophobicContact CG2-CZ 4.3Å; I267-F270 PolarHBondContact O-N 2.75Å; K268-F270 VanDerWaalsContact C-N 3.27Å; K268-F270 PolarHBondContact O-N 3.1Å
271	N	97.6	Very high	97.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.331	C	S	.	.			trans	-130	98.8	168.3	-175.1	-16.4	0	0	0	110.5	N239 N240 T242 I244 I267 K268 K273 V274	N239-N271 PolarHBondContact O-ND2 3.48Å; N240-N271 VanDerWaalsContact O-CA 3.23Å; N240-N271 WeakPolarHBondContact O-CA 3.4Å; N240-N271 WeakPolarHBondContact O-CB 3.5Å; N240-N271 PolarHBondContact O-OD1 2.81Å; T242-N271 PolarHBondContact O-ND2 3.01Å; T242-N271 PolarHBondContact O-OD1 3Å; I244-N271 VanDerWaalsContact CD1-ND2 3.34Å; I244-N271 WeakPolarHBondContact CD1-ND2 3.4Å; I267-N271 HydrophobicContact CG2-CB 4.06Å; I267-N271 PolarHBondContact O-N 2.76Å; K268-N271 WeakPolarHBondContact CA-O 3.47Å; N271-K273 PolarHBondContact O-N 3.2Å; N271-K273 VanDerWaalsContact O-N 3.17Å; N271-K273 WeakPolarHBondContact OD1-CB 3.48Å; N271-K273 PolarHBondContact OD1-N 2.84Å; N271-V274 WeakPolarHBondContact O-CG1 3.16Å; N271-V274 PolarHBondContact O-N 3.17Å
272	P	97.2	Very high	97.8	Very high	98 Å²	98	66.1 Å²	66.1	64%	0.636	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.6	-177.2	30	-36	0	0	0	114.2	V274	P272-V274 VanDerWaalsContact C-N 3.33Å
273	K	98.1	Very high	97.9	Very high	105 Å²	105	68.2 Å²	68.2	46%	0.457	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.5	179.4	-58	-164	-175.8	173.8	0	114	A241 P243 I244 N271	A241-K273 WeakPolarHBondContact O-CD 3.42Å; A241-K273 WeakPolarHBondContact O-CE 3.28Å; A241-K273 PolarHBondContact O-NZ 3.07Å; P243-K273 HydrophobicContact CG-CD 4.49Å; I244-K273 PolarHBondContact N-O 2.96Å; I244-K273 VanDerWaalsContact N-O 3.16Å; N271-K273 PolarHBondContact O-N 3.2Å; N271-K273 VanDerWaalsContact O-N 3.17Å; N271-K273 WeakPolarHBondContact OD1-CB 3.48Å; N271-K273 PolarHBondContact OD1-N 2.84Å
274	V	98.7	Very high	97.9	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.4	169.6	66.5	0	0	0	0	110.2	I244 L246 E264 I267 K268 N271 P272	I244-V274 HydrophobicContact CB-CB 4.04Å; I244-V274 HydrophobicContact CB-CG2 3.95Å; I244-V274 HydrophobicContact CG2-CG2 3.91Å; I244-V274 WeakPolarHBondContact O-CA 3.34Å; L246-V274 HydrophobicContact CD1-CG2 3.65Å; L246-V274 HydrophobicContact CG-CG2 3.91Å; E264-V274 HydrophobicContact CG-CG1 4Å; E264-V274 HydrophobicContact CG-CG2 4.17Å; I267-V274 HydrophobicContact CB-CB 4.39Å; I267-V274 HydrophobicContact CB-CG1 4.1Å; I267-V274 HydrophobicContact CB-CG2 4.38Å; I267-V274 HydrophobicContact CG2-CB 3.76Å; I267-V274 HydrophobicContact CG2-CG1 3.81Å; I267-V274 HydrophobicContact CG2-CG2 4.06Å; K268-V274 HydrophobicContact CB-CG1 3.79Å; K268-V274 HydrophobicContact CD-CG1 4.42Å; K268-V274 HydrophobicContact CG-CG1 3.97Å; N271-V274 WeakPolarHBondContact O-CG1 3.16Å; N271-V274 PolarHBondContact O-N 3.17Å; P272-V274 VanDerWaalsContact C-N 3.33Å
275	E	98.6	Very high	97.8	Very high	117 Å²	117	69.8 Å²	69.8	55%	0.547	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.4	178.2	-64.9	-176.5	-168.4	0	0	109.6	I244 L246 H277	I244-E275 PolarHBondContact O-N 3.22Å; L246-E275 PolarHBondContact N-O 3Å; E275-H277 IonicContact OE2-NE2 3.63Å
276	L	98.8	Very high	97.7	Very high	32 Å²	32	64.7 Å²	64.7	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.1	173.8	177.3	65.2	0	0	0	110.5	L246 H248 Q261 E264 T278	L246-L276 HydrophobicContact CB-CB 4.39Å; L246-L276 HydrophobicContact CB-CD1 3.68Å; L246-L276 CarbonylContact O-C 3.6Å; L246-L276 WeakPolarHBondContact O-CA 3.34Å; H248-L276 HydrophobicContact CB-CD1 4.08Å; Q261-L276 HydrophobicContact CB-CD2 4.33Å; Q261-L276 HydrophobicContact CG-CD2 3.68Å; E264-L276 HydrophobicContact CB-CB 4.2Å; E264-L276 HydrophobicContact CG-CB 4.07Å; L276-T278 HydrophobicContact CG-CG2 4.28Å
277	H	98.7	Very high	97.6	Very high	58 Å²	58	61.9 Å²	61.9	27%	0.269	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.2	173.6	-57.5	-96.3	0	0	0	109.3	F245 L246 G247 H248 E275 Y279	F245-H277 AromaticContact CD2-CD2 3.52Å; F245-H277 AromaticContact CD2-NE2 3.59Å; F245-H277 HydrophobicContact CE2-CB 4.41Å; F245-H277 AromaticContact CE2-CD2 3.25Å; F245-H277 WeakPolarHBondContact CE2-CD2 3.2Å; F245-H277 AromaticContact CE2-CG 3.72Å; F245-H277 AromaticContact CE2-NE2 3.51Å; F245-H277 HydrophobicContact CZ-CB 4.15Å; F245-H277 AromaticContact CZ-CD2 3.76Å; F245-H277 AromaticContact CZ-CG 3.96Å; L246-H277 PolarHBondContact O-N 2.82Å; G247-H277 CarbonylContact C-O 3.58Å; G247-H277 WeakPolarHBondContact CA-O 3.18Å; H248-H277 PolarHBondContact N-O 2.97Å; E275-H277 IonicContact OE2-NE2 3.63Å; H277-Y279 HydrophobicContact CB-CE2 4.16Å
278	T	98.6	Very high	97.5	Very high	75 Å²	75	62.9 Å²	62.9	46%	0.46	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.1	-177.5	60.6	0	0	0	0	111.9	H248 L257 L276	H248-T278 CarbonylContact O-C 3.56Å; H248-T278 VanDerWaalsContact O-CA 3.26Å; H248-T278 WeakPolarHBondContact O-CA 3.49Å; L257-T278 HydrophobicContact CD1-CG2 3.72Å; L257-T278 HydrophobicContact CD2-CG2 4.34Å; L276-T278 HydrophobicContact CG-CG2 4.28Å
279	Y	98.6	Very high	97.5	Very high	8 Å²	8	63.2 Å²	63.2	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.8	-175	-58.8	-78.5	0	0	0	110.8	F245 H248 T250 H277 G281 M282 E289 E290 D293	F245-Y279 WeakPolarHBondContact CZ-OH 3.27Å; H248-Y279 PolarHBondContact O-N 3.04Å; T250-Y279 PolarHBondContact N-O 2.75Å; T250-Y279 VanDerWaalsContact N-O 3.08Å; H277-Y279 HydrophobicContact CB-CE2 4.16Å; Y279-G281 PolarHBondContact O-N 2.8Å; Y279-M282 HydrophobicContact CD2-CE 3.77Å; Y279-M282 HydrophobicContact CD2-SD 4.41Å; Y279-M282 HydrophobicContact CG-CE 4.22Å; Y279-M282 HydrophobicContact CG-SD 4.35Å; Y279-M282 WeakPolarHBondContact O-CB 3.22Å; Y279-M282 PolarHBondContact O-N 3.24Å; Y279-E289 HydrophobicContact CD1-CB 4.23Å; Y279-E289 HydrophobicContact CD1-CG 4.15Å; Y279-E289 HydrophobicContact CE1-CB 4.3Å; Y279-E289 HydrophobicContact CE1-CG 3.99Å; Y279-E290 HydrophobicContact CD1-CB 4.22Å; Y279-E290 HydrophobicContact CD2-CB 3.9Å; Y279-E290 HydrophobicContact CD2-CG 4.1Å; Y279-E290 HydrophobicContact CE1-CB 3.9Å; Y279-E290 HydrophobicContact CE2-CB 3.54Å; Y279-E290 HydrophobicContact CE2-CG 3.49Å; Y279-E290 VanDerWaalsContact CE2-CG 3.49Å; Y279-E290 HydrophobicContact CG-CB 4.23Å; Y279-E290 VanDerWaalsContact CZ-CA 3.41Å; Y279-D293 WeakPolarHBondContact CE1-OD2 3.48Å; Y279-D293 WeakPolarHBondContact OH-CB 3.44Å; Y279-D293 PolarHBondContact OH-OD2 3.17Å
280	R	98.1	Very high	97.5	Very high	238 Å²	238	55.8 Å²	55.8	90%	0.898	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	127.5	-171.7	-174.9	174.6	-178.7	-98.6	-1.2	111.8	T250 M282	T250-R280 WeakPolarHBondContact OG1-CA 3.45Å; R280-M282 PolarHBondContact O-N 3.25Å
281	G	97.8	Very high	97.6	Very high	43 Å²	43	54.4 Å²	54.4	44%	0.443	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-3.8	179.3	0	0	0	0	0	114.4	T250 Y279	T250-G281 PolarHBondContact OG1-N 3.03Å; Y279-G281 PolarHBondContact O-N 2.8Å
282	M	98.2	Very high	97.5	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.069	31%	0.308	C	S	.	.			trans	-75.1	131.7	173.1	-171.8	175.6	85.2	0	0	109.2	G249 T250 D251 Y279 R280 S285 C287	G249-M282 CarbonylContact C-O 3.47Å; G249-M282 VanDerWaalsContact C-O 3.22Å; G249-M282 WeakPolarHBondContact CA-O 3.42Å; G249-M282 VanDerWaalsContact N-CE 3.32Å; T250-M282 PolarHBondContact N-O 2.91Å; D251-M282 CarbonylContact C-O 3.53Å; D251-M282 PolarHBondContact N-O 3.04Å; Y279-M282 HydrophobicContact CD2-CE 3.77Å; Y279-M282 HydrophobicContact CD2-SD 4.41Å; Y279-M282 HydrophobicContact CG-CE 4.22Å; Y279-M282 HydrophobicContact CG-SD 4.35Å; Y279-M282 WeakPolarHBondContact O-CB 3.22Å; Y279-M282 PolarHBondContact O-N 3.24Å; R280-M282 PolarHBondContact O-N 3.25Å; M282-S285 WeakPolarHBondContact CE-O 3.23Å; M282-C287 HydrophobicContact SD-CB 3.84Å; M282-C287 VanDerWaalsContact SD-SG 3.64Å
283	Q	98.2	Very high	97.6	Very high	98 Å²	98	59.1 Å²	59.1	46%	0.458	29%	0.292	S	S	.	.			trans	-90.6	-149.1	174.8	-59.8	-178.1	-12.2	0	0	110	D251 F253 S285	D251-Q283 HydrophobicContact CB-CG 4.11Å; F253-Q283 HydrophobicContact CD1-CB 4.35Å; F253-Q283 HydrophobicContact CE1-CB 4.28Å; Q283-S285 PolarHBondContact O-N 3.41Å
284	H	97.7	Very high	97.6	Very high	40 Å²	40	54.1 Å²	54.1	19%	0.185	27%	0.27	C	S	.	.	S	Bend	trans	-75.5	69.8	172.2	-157.2	65.2	0	0	0	111.5	F198 S199 S223 D252 L254 V255	F198-H284 AromaticContact CE1-CD2 3.82Å; F198-H284 AromaticContact CE1-NE2 3.56Å; F198-H284 AromaticContact CZ-CD2 3.7Å; F198-H284 AromaticContact CZ-CE1 3.91Å; F198-H284 AromaticContact CZ-NE2 3.67Å; S199-H284 VanDerWaalsContact CB-NE2 3.34Å; S199-H284 WeakPolarHBondContact CB-NE2 3.31Å; S199-H284 PolarHBondContact OG-CE1 2.85Å; S199-H284 PolarHBondContact OG-NE2 3.48Å; S223-H284 PolarHBondContact O-CE1 2.93Å; D252-H284 WeakPolarHBondContact OD1-CB 3.47Å; D252-H284 IonicContact OD1-CG 3.27Å; D252-H284 IonicContact OD1-ND1 2.73Å; D252-H284 PolarHBondContact OD1-ND1 3.36Å; D252-H284 IonicContact OD2-CE1 3.32Å; D252-H284 IonicContact OD2-CG 2.74Å; D252-H284 IonicContact OD2-ND1 3.75Å; D252-H284 PolarHBondContact OD2-ND1 3.26Å; L254-H284 HydrophobicContact CB-CB 4.05Å; L254-H284 HydrophobicContact CD1-CB 3.91Å; L254-H284 HydrophobicContact CG-CB 4.22Å; V255-H284 VanDerWaalsContact CG2-CE1 3.5Å; V255-H284 WeakPolarHBondContact CG2-CE1 3.44Å
285	S	96.6	Very high	97.5	Very high	34 Å²	34	57.8 Å²	57.8	24%	0.238	29%	0.286	C	S	.	.	S	Bend	trans	-150.5	178.4	-176.7	-175.9	0	0	0	0	109.1	M282 Q283	M282-S285 WeakPolarHBondContact CE-O 3.23Å; Q283-S285 PolarHBondContact O-N 3.41Å
286	S	95.4	Very high	97.4	Very high	18 Å²	18	56.6 Å²	56.6	13%	0.126	29%	0.287	C	S	.	.			trans	-101.8	172.2	157.1	62.7	0	0	0	0	111.4	C15 E290	C15-S286 PolarHBondContact SG-O 3.08Å; C15-S286 VanDerWaalsContact SG-O 3.37Å; S286-E290 WeakPolarHBondContact CA-OE2 3.23Å; S286-E290 WeakPolarHBondContact CB-OE2 3.23Å
287	C	95.2	Very high	97.4	Very high	33 Å²	33	56.2 Å²	56.2	22%	0.223	28%	0.284	C	S	.	.			trans	-142.7	162.5	171.9	71.5	0	0	0	0	111	M282 E289 E290 M291	M282-C287 HydrophobicContact SD-CB 3.84Å; M282-C287 VanDerWaalsContact SD-SG 3.64Å; C287-E289 PolarHBondContact O-N 3.21Å; C287-E289 VanDerWaalsContact O-N 3.12Å; C287-E290 PolarHBondContact O-N 2.94Å; C287-E290 VanDerWaalsContact O-N 3.15Å; C287-E290 PolarHBondContact SG-N 3.27Å; C287-M291 WeakPolarHBondContact O-CG 3.37Å; C287-M291 PolarHBondContact O-N 3.36Å
288	G	94.8	Very high	97.4	Very high	21 Å²	21	53.5 Å²	53.5	22%	0.216	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-22.1	-178.3	0	0	0	0	0	114.3	R292	G288-R292 WeakPolarHBondContact O-CG 3.1Å; G288-R292 VanDerWaalsContact O-CZ 3.23Å; G288-R292 PolarHBondContact O-N 3.31Å; G288-R292 PolarHBondContact O-NH1 2.77Å
289	E	97.1	Very high	97.3	Very high	109 Å²	109	51.4 Å²	51.4	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-69.7	-53.4	171.9	-169.4	177.2	-176.7	0	0	111.2	Y279 C287 M291 R292 D293	Y279-E289 HydrophobicContact CD1-CB 4.23Å; Y279-E289 HydrophobicContact CD1-CG 4.15Å; Y279-E289 HydrophobicContact CE1-CB 4.3Å; Y279-E289 HydrophobicContact CE1-CG 3.99Å; C287-E289 PolarHBondContact O-N 3.21Å; C287-E289 VanDerWaalsContact O-N 3.12Å; E289-M291 VanDerWaalsContact C-N 3.28Å; E289-M291 PolarHBondContact O-N 2.9Å; E289-R292 WeakPolarHBondContact O-CB 3.41Å; E289-R292 PolarHBondContact O-N 2.86Å; E289-D293 PolarHBondContact O-N 2.98Å
290	E	98	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-53.3	-44.6	174.2	-177.1	179.6	-123.5	0	0	112.1	L222 G247 Y279 S286 C287 R292 D293 V294	L222-E290 HydrophobicContact CD2-CG 4.24Å; G247-E290 WeakPolarHBondContact CA-OE1 3.36Å; Y279-E290 HydrophobicContact CD1-CB 4.22Å; Y279-E290 HydrophobicContact CD2-CB 3.9Å; Y279-E290 HydrophobicContact CD2-CG 4.1Å; Y279-E290 HydrophobicContact CE1-CB 3.9Å; Y279-E290 HydrophobicContact CE2-CB 3.54Å; Y279-E290 HydrophobicContact CE2-CG 3.49Å; Y279-E290 VanDerWaalsContact CE2-CG 3.49Å; Y279-E290 HydrophobicContact CG-CB 4.23Å; Y279-E290 VanDerWaalsContact CZ-CA 3.41Å; S286-E290 WeakPolarHBondContact CA-OE2 3.23Å; S286-E290 WeakPolarHBondContact CB-OE2 3.23Å; C287-E290 PolarHBondContact O-N 2.94Å; C287-E290 VanDerWaalsContact O-N 3.15Å; C287-E290 PolarHBondContact SG-N 3.27Å; E290-R292 VanDerWaalsContact C-N 3.3Å; E290-R292 PolarHBondContact O-N 2.88Å; E290-D293 PolarHBondContact O-N 3.06Å; E290-V294 HydrophobicContact CG-CG2 4.41Å; E290-V294 WeakPolarHBondContact O-CG2 3.42Å; E290-V294 PolarHBondContact O-N 3.49Å
291	M	97.2	Very high	97.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-65.5	-30.7	179.8	-62.9	-48.7	-59.6	0	0	113.2	W116 F120 E123 A124 C287 E289 K295	W116-M291 HydrophobicContact CZ3-CE 4.27Å; W116-M291 HydrophobicContact CZ3-SD 4.03Å; F120-M291 HydrophobicContact CD1-CE 4.13Å; F120-M291 HydrophobicContact CE1-CE 3.68Å; F120-M291 HydrophobicContact CZ-CE 4.31Å; E123-M291 HydrophobicContact CB-CB 4.1Å; E123-M291 HydrophobicContact CB-CG 4.35Å; A124-M291 HydrophobicContact CB-CB 4.32Å; A124-M291 HydrophobicContact CB-CE 3.64Å; C287-M291 WeakPolarHBondContact O-CG 3.37Å; C287-M291 PolarHBondContact O-N 3.36Å; E289-M291 VanDerWaalsContact C-N 3.28Å; E289-M291 PolarHBondContact O-N 2.9Å; M291-K295 WeakPolarHBondContact O-CB 3.47Å; M291-K295 PolarHBondContact O-N 3.2Å
292	R	96.5	Very high	97.3	Very high	143 Å²	143	44.4 Å²	44.4	54%	0.54	24%	0.237	S	C	.	.	H	α-helix	trans	-72.4	-38.3	173.5	-76.3	-174.3	-57.2	-89.5	5.2	111.9	G288 E289 E290 K295 T296	G288-R292 WeakPolarHBondContact O-CG 3.1Å; G288-R292 VanDerWaalsContact O-CZ 3.23Å; G288-R292 PolarHBondContact O-N 3.31Å; G288-R292 PolarHBondContact O-NH1 2.77Å; E289-R292 WeakPolarHBondContact O-CB 3.41Å; E289-R292 PolarHBondContact O-N 2.86Å; E290-R292 VanDerWaalsContact C-N 3.3Å; E290-R292 PolarHBondContact O-N 2.88Å; R292-K295 PolarHBondContact O-N 3.49Å; R292-T296 PolarHBondContact O-N 2.93Å; R292-T296 PolarHBondContact O-OG1 2.81Å
293	D	97.8	Very high	97.1	Very high	54 Å²	54	43.9 Å²	43.9	29%	0.289	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-45.2	177.4	-65.3	-16.9	0	0	0	110.7	F245 Y279 E289 E290 K295 T296 F297	F245-D293 HydrophobicContact CE2-CB 3.92Å; F245-D293 HydrophobicContact CZ-CB 3.82Å; Y279-D293 WeakPolarHBondContact CE1-OD2 3.48Å; Y279-D293 WeakPolarHBondContact OH-CB 3.44Å; Y279-D293 PolarHBondContact OH-OD2 3.17Å; E289-D293 PolarHBondContact O-N 2.98Å; E290-D293 PolarHBondContact O-N 3.06Å; D293-K295 VanDerWaalsContact C-N 3.31Å; D293-K295 PolarHBondContact O-N 3.42Å; D293-T296 WeakPolarHBondContact O-CB 3.29Å; D293-T296 PolarHBondContact O-N 3.2Å; D293-F297 WeakPolarHBondContact O-CB 3.26Å; D293-F297 PolarHBondContact O-N 2.91Å
294	V	98	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-46.5	172	170.4	0	0	0	0	110.4	V220 L222 F245 E290 T296 F297 L298	V220-V294 HydrophobicContact CG1-CG2 4.27Å; L222-V294 HydrophobicContact CD1-CG2 4.42Å; L222-V294 HydrophobicContact CD2-CG2 4Å; F245-V294 HydrophobicContact CD1-CG2 4.1Å; F245-V294 HydrophobicContact CE1-CG2 3.65Å; F245-V294 HydrophobicContact CZ-CG2 4.11Å; E290-V294 HydrophobicContact CG-CG2 4.41Å; E290-V294 WeakPolarHBondContact O-CG2 3.42Å; E290-V294 PolarHBondContact O-N 3.49Å; V294-T296 VanDerWaalsContact C-N 3.31Å; V294-T296 PolarHBondContact O-N 2.85Å; V294-F297 WeakPolarHBondContact O-CB 3.43Å; V294-F297 PolarHBondContact O-N 3.47Å; V294-L298 HydrophobicContact CG1-CD1 3.84Å; V294-L298 HydrophobicContact CG1-CG 4.3Å; V294-L298 WeakPolarHBondContact O-CG 3.5Å; V294-L298 PolarHBondContact O-N 2.97Å
295	K	97.1	Very high	96.6	Very high	77 Å²	77	47 Å²	47	34%	0.335	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-41	176	178	176.1	170.5	172.5	0	112.3	A124 K125 M291 R292 D293 L298 S299	A124-K295 HydrophobicContact CB-CB 4.42Å; K125-K295 WeakPolarHBondContact O-CE 3.28Å; K125-K295 PolarHBondContact O-NZ 3.44Å; M291-K295 WeakPolarHBondContact O-CB 3.47Å; M291-K295 PolarHBondContact O-N 3.2Å; R292-K295 PolarHBondContact O-N 3.49Å; D293-K295 VanDerWaalsContact C-N 3.31Å; D293-K295 PolarHBondContact O-N 3.42Å; K295-L298 PolarHBondContact O-N 2.7Å; K295-S299 WeakPolarHBondContact O-CB 3.49Å; K295-S299 PolarHBondContact O-N 3.01Å; K295-S299 PolarHBondContact O-OG 3.41Å
296	T	97.6	Very high	96.6	Very high	93 Å²	93	47.6 Å²	47.6	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-64.8	-46.1	178.1	-58.6	0	0	0	0	111.2	R292 D293 V294 L298 S299 A300	R292-T296 PolarHBondContact O-N 2.93Å; R292-T296 PolarHBondContact O-OG1 2.81Å; D293-T296 WeakPolarHBondContact O-CB 3.29Å; D293-T296 PolarHBondContact O-N 3.2Å; V294-T296 VanDerWaalsContact C-N 3.31Å; V294-T296 PolarHBondContact O-N 2.85Å; T296-L298 PolarHBondContact O-N 2.74Å; T296-S299 WeakPolarHBondContact O-CB 3.39Å; T296-S299 PolarHBondContact O-N 2.9Å; T296-A300 PolarHBondContact O-N 2.91Å
297	F	98.3	Very high	96.7	Very high	23 Å²	23	49.3 Å²	49.3	10%	0.101	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-49.7	174.2	172.4	-94.6	0	0	0	111.7	V220 P243 F245 D293 V294 S299 A300 H301	V220-F297 HydrophobicContact CG2-CD1 3.88Å; V220-F297 HydrophobicContact CG2-CE1 3.62Å; P243-F297 HydrophobicContact CB-CE2 3.61Å; P243-F297 HydrophobicContact CB-CZ 3.88Å; F245-F297 HydrophobicContact CB-CD1 4.1Å; F245-F297 HydrophobicContact CB-CD2 3.78Å; F245-F297 HydrophobicContact CB-CE1 4.14Å; F245-F297 HydrophobicContact CB-CE2 3.8Å; F245-F297 HydrophobicContact CB-CG 3.92Å; F245-F297 HydrophobicContact CB-CZ 3.99Å; F245-F297 HydrophobicContact CD2-CB 4.12Å; F245-F297 HydrophobicContact CD2-CD2 4.21Å; F245-F297 HydrophobicContact CD2-CG 4.22Å; F245-F297 HydrophobicContact CG-CD2 4.43Å; F245-F297 HydrophobicContact CG-CG 4.35Å; D293-F297 WeakPolarHBondContact O-CB 3.26Å; D293-F297 PolarHBondContact O-N 2.91Å; V294-F297 WeakPolarHBondContact O-CB 3.43Å; V294-F297 PolarHBondContact O-N 3.47Å; F297-S299 VanDerWaalsContact C-N 3.34Å; F297-S299 PolarHBondContact O-N 3.24Å; F297-A300 PolarHBondContact O-N 3.45Å; F297-H301 AromaticContact CD2-CD2 3.49Å; F297-H301 VanDerWaalsContact CD2-CD2 3.49Å; F297-H301 WeakPolarHBondContact CD2-CD2 3.49Å; F297-H301 AromaticContact CD2-NE2 3.8Å; F297-H301 AromaticContact CE2-CD2 3.41Å; F297-H301 VanDerWaalsContact CE2-CD2 3.41Å; F297-H301 WeakPolarHBondContact CE2-CD2 3.42Å; F297-H301 AromaticContact CE2-NE2 3.74Å; F297-H301 AromaticContact CZ-CD2 3.86Å; F297-H301 PolarHBondContact O-CD2 3.13Å; F297-H301 PolarHBondContact O-N 3.41Å
298	L	98.2	Very high	96.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-39.6	179.2	-65.2	170.3	0	0	0	112.1	L103 I129 F131 A194 V294 K295 T296 A300 H301 I302	L103-L298 HydrophobicContact CB-CD2 4.49Å; L103-L298 HydrophobicContact CD1-CD2 4.07Å; L103-L298 HydrophobicContact CD2-CD1 3.79Å; L103-L298 HydrophobicContact CD2-CD2 4.34Å; I129-L298 HydrophobicContact CD1-CB 3.72Å; F131-L298 HydrophobicContact CE1-CD1 4.14Å; A194-L298 HydrophobicContact CB-CD2 3.95Å; V294-L298 HydrophobicContact CG1-CD1 3.84Å; V294-L298 HydrophobicContact CG1-CG 4.3Å; V294-L298 WeakPolarHBondContact O-CG 3.5Å; V294-L298 PolarHBondContact O-N 2.97Å; K295-L298 PolarHBondContact O-N 2.7Å; T296-L298 PolarHBondContact O-N 2.74Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 2.63Å; L298-H301 PolarHBondContact O-N 3.14Å; L298-I302 HydrophobicContact CB-CG1 4.31Å; L298-I302 HydrophobicContact CD2-CD1 3.92Å; L298-I302 HydrophobicContact CD2-CG1 4.35Å; L298-I302 VanDerWaalsContact O-CG1 3.22Å; L298-I302 WeakPolarHBondContact O-CG1 3.41Å; L298-I302 PolarHBondContact O-N 3.41Å
299	S	97.3	Very high	96.9	Very high	31 Å²	31	52.1 Å²	52.1	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-43.6	176.5	-55	0	0	0	0	111.2	H126 K295 T296 F297 H301 A303 H304	H126-S299 PolarHBondContact CD2-OG 3.33Å; H126-S299 PolarHBondContact NE2-OG 3.48Å; K295-S299 WeakPolarHBondContact O-CB 3.49Å; K295-S299 PolarHBondContact O-N 3.01Å; K295-S299 PolarHBondContact O-OG 3.41Å; T296-S299 WeakPolarHBondContact O-CB 3.39Å; T296-S299 PolarHBondContact O-N 2.9Å; F297-S299 VanDerWaalsContact C-N 3.34Å; F297-S299 PolarHBondContact O-N 3.24Å; S299-H301 VanDerWaalsContact C-N 3.29Å; S299-H301 PolarHBondContact O-N 3.29Å; S299-A303 WeakPolarHBondContact O-CB 3.39Å; S299-H304 PolarHBondContact O-CD2 2.79Å; S299-H304 PolarHBondContact O-NE2 3.28Å
300	A	97.9	Very high	96.9	Very high	65 Å²	65	48.3 Å²	48.3	54%	0.537	25%	0.247	S	C	.	.	H	α-helix	trans	-69.4	-24.2	-178.3	0	0	0	0	0	113.9	T296 F297 L298	T296-A300 PolarHBondContact O-N 2.91Å; F297-A300 PolarHBondContact O-N 3.45Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 2.63Å
301	H	98.1	Very high	96.8	Very high	75 Å²	75	51.7 Å²	51.7	35%	0.347	27%	0.265	S	S	.	.	H	α-helix	trans	-117.7	-26.8	-166.9	-65.7	-45.5	0	0	0	115.8	G217 F297 L298 S299	G217-H301 WeakPolarHBondContact O-CB 3.35Å; F297-H301 AromaticContact CD2-CD2 3.49Å; F297-H301 VanDerWaalsContact CD2-CD2 3.49Å; F297-H301 WeakPolarHBondContact CD2-CD2 3.49Å; F297-H301 AromaticContact CD2-NE2 3.8Å; F297-H301 AromaticContact CE2-CD2 3.41Å; F297-H301 VanDerWaalsContact CE2-CD2 3.41Å; F297-H301 WeakPolarHBondContact CE2-CD2 3.42Å; F297-H301 AromaticContact CE2-NE2 3.74Å; F297-H301 AromaticContact CZ-CD2 3.86Å; F297-H301 PolarHBondContact O-CD2 3.13Å; F297-H301 PolarHBondContact O-N 3.41Å; L298-H301 PolarHBondContact O-N 3.14Å; S299-H301 VanDerWaalsContact C-N 3.29Å; S299-H301 PolarHBondContact O-N 3.29Å
302	I	98.1	Very high	96.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-133.4	-1.6	-174.8	65.3	162.3	0	0	0	114.9	G101 T102 I129 R192 A194 L298	G101-I302 WeakPolarHBondContact CA-O 3.26Å; T102-I302 WeakPolarHBondContact O-CD1 3.21Å; I129-I302 HydrophobicContact CD1-CD1 3.89Å; I129-I302 HydrophobicContact CD1-CG1 3.69Å; I129-I302 HydrophobicContact CG1-CD1 4.17Å; I129-I302 HydrophobicContact CG1-CG1 4.18Å; I129-I302 HydrophobicContact CG2-CD1 4.05Å; R192-I302 WeakPolarHBondContact O-CB 3.12Å; A194-I302 HydrophobicContact CB-CD1 3.98Å; A194-I302 HydrophobicContact CB-CG2 4.28Å; L298-I302 HydrophobicContact CB-CG1 4.31Å; L298-I302 HydrophobicContact CD2-CD1 3.92Å; L298-I302 HydrophobicContact CD2-CG1 4.35Å; L298-I302 VanDerWaalsContact O-CG1 3.22Å; L298-I302 WeakPolarHBondContact O-CG1 3.41Å; L298-I302 PolarHBondContact O-N 3.41Å
303	A	94.1	Very high	96.8	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	26%	0.263	C	S	.	.			trans	-89.5	-2.4	-175.7	0	0	0	0	0	115.6	K100 H126 I129 S299	K100-A303 WeakPolarHBondContact CD-O 3.45Å; H126-A303 VanDerWaalsContact CE1-CB 3.48Å; H126-A303 WeakPolarHBondContact CE1-CB 3.37Å; I129-A303 HydrophobicContact CD1-CB 4.21Å; I129-A303 HydrophobicContact CG1-CB 4.4Å; S299-A303 WeakPolarHBondContact O-CB 3.39Å
304	H	88.7	Confident	96.7	Very high	156 Å²	156	47.8 Å²	47.8	72%	0.722	26%	0.261	S	S	*	.			trans	-126.3	0	-171.6	-59.4	-54.5	0	0	0	112.2	R192 S299	R192-H304 WeakPolarHBondContact CD-OXT 3.36Å; R192-H304 PolarHBondContact NE-OXT 3.43Å; R192-H304 PolarHBondContact NH2-O 3.11Å; R192-H304 PolarHBondContact NH2-OXT 3.42Å; R192-H304 VanDerWaalsContact NH2-OXT 3.15Å; S299-H304 PolarHBondContact O-CD2 2.79Å; S299-H304 PolarHBondContact O-NE2 3.28Å

Retrieved 304 of 304 residues in 172.6 ms (Link to these results)

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